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/D1-6cd97745/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6cd97745/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/D1-6cd97745/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6cd97745/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/D1-6cd97745/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6cd97745/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/D1-6cd97745/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6cd97745/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/D1-6cd97745/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6cd97745/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/D1-6cd97745/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6cd97745/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/D1-6cd97745/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6cd97745/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/D1-6cd97745/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6cd97745/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/D1-6cd97745/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6cd97745/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/D1-6cd97745/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D1-6cd97745/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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -88.864843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.864843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.864843 (E_RNA)
where:
Base-Base interactions energy: -50.955
where: short stacking energy: -35.561
Base-Backbone interact. energy: 2.126
local terms energy: -40.035694
where:
bonds (distance) C4'-P energy: -7.097
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -84.234254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.234254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.234254 (E_RNA)
where:
Base-Base interactions energy: -42.590
where: short stacking energy: -22.258
Base-Backbone interact. energy: -0.052
local terms energy: -41.592536
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: 2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -99.588259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.588259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.588259 (E_RNA)
where:
Base-Base interactions energy: -39.534
where: short stacking energy: -34.815
Base-Backbone interact. energy: -0.158
local terms energy: -59.896623
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -83.437812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.437812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.437812 (E_RNA)
where:
Base-Base interactions energy: -32.856
where: short stacking energy: -26.848
Base-Backbone interact. energy: -0.237
local terms energy: -50.344723
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -9.018
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: 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: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -101.733307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.733307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.733307 (E_RNA)
where:
Base-Base interactions energy: -42.182
where: short stacking energy: -42.182
Base-Backbone interact. energy: 0.193
local terms energy: -59.743621
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -97.094522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.094522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.094522 (E_RNA)
where:
Base-Base interactions energy: -49.194
where: short stacking energy: -45.369
Base-Backbone interact. energy: 1.027
local terms energy: -48.927649
where:
bonds (distance) C4'-P energy: -6.175
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -81.620987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.620987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.620987 (E_RNA)
where:
Base-Base interactions energy: -41.100
where: short stacking energy: -36.162
Base-Backbone interact. energy: 0.218
local terms energy: -40.739398
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -8.046
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -97.641095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.641095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.641095 (E_RNA)
where:
Base-Base interactions energy: -42.176
where: short stacking energy: -22.127
Base-Backbone interact. energy: -0.986
local terms energy: -54.478527
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -116.819222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.819222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.819222 (E_RNA)
where:
Base-Base interactions energy: -62.889
where: short stacking energy: -37.705
Base-Backbone interact. energy: -0.030
local terms energy: -53.900753
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -85.023170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.023170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.023170 (E_RNA)
where:
Base-Base interactions energy: -29.389
where: short stacking energy: -17.661
Base-Backbone interact. energy: -0.960
local terms energy: -54.673603
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -0.290
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -93.872808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.872808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.872808 (E_RNA)
where:
Base-Base interactions energy: -40.249
where: short stacking energy: -37.849
Base-Backbone interact. energy: -0.140
local terms energy: -53.483496
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -138.561595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.561595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.561595 (E_RNA)
where:
Base-Base interactions energy: -80.456
where: short stacking energy: -43.811
Base-Backbone interact. energy: -0.441
local terms energy: -57.664371
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -9.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -120.797567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.797567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.797567 (E_RNA)
where:
Base-Base interactions energy: -57.380
where: short stacking energy: -56.637
Base-Backbone interact. energy: -0.221
local terms energy: -63.197458
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -108.321562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.321562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.321562 (E_RNA)
where:
Base-Base interactions energy: -55.209
where: short stacking energy: -52.616
Base-Backbone interact. energy: -0.673
local terms energy: -52.439584
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -82.921702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.921702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.921702 (E_RNA)
where:
Base-Base interactions energy: -34.394
where: short stacking energy: -30.394
Base-Backbone interact. energy: -0.875
local terms energy: -47.653001
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -83.288907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.288907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.288907 (E_RNA)
where:
Base-Base interactions energy: -33.801
where: short stacking energy: -29.750
Base-Backbone interact. energy: -0.329
local terms energy: -49.159382
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -6.097
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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -78.457921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.457921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.457921 (E_RNA)
where:
Base-Base interactions energy: -29.404
where: short stacking energy: -28.120
Base-Backbone interact. energy: 2.206
local terms energy: -51.259500
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -10.646
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: 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: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -140.911445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.911445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.911445 (E_RNA)
where:
Base-Base interactions energy: -77.068
where: short stacking energy: -39.020
Base-Backbone interact. energy: 0.120
local terms energy: -63.963468
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -9.690
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: 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: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -100.230275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.230275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.230275 (E_RNA)
where:
Base-Base interactions energy: -35.737
where: short stacking energy: -27.871
Base-Backbone interact. energy: -0.448
local terms energy: -64.045192
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -7.053
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: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -133.554797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.554797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.554797 (E_RNA)
where:
Base-Base interactions energy: -75.258
where: short stacking energy: -52.745
Base-Backbone interact. energy: -1.212
local terms energy: -57.084586
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -9.626
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: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -92.076419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.076419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.076419 (E_RNA)
where:
Base-Base interactions energy: -35.283
where: short stacking energy: -35.176
Base-Backbone interact. energy: -0.038
local terms energy: -56.754716
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -7.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -86.129368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.129368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.129368 (E_RNA)
where:
Base-Base interactions energy: -34.999
where: short stacking energy: -25.734
Base-Backbone interact. energy: -0.080
local terms energy: -51.050451
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -7.407
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: 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: -78.966462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.966462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.966462 (E_RNA)
where:
Base-Base interactions energy: -39.536
where: short stacking energy: -39.536
Base-Backbone interact. energy: -0.063
local terms energy: -39.367864
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -9.701
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -135.779781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.779781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.779781 (E_RNA)
where:
Base-Base interactions energy: -72.348
where: short stacking energy: -51.183
Base-Backbone interact. energy: -0.234
local terms energy: -63.197443
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -10.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -131.096246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.096246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.096246 (E_RNA)
where:
Base-Base interactions energy: -69.272
where: short stacking energy: -50.740
Base-Backbone interact. energy: -0.062
local terms energy: -61.761526
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -6.426
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: 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: -124.166591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.166591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.166591 (E_RNA)
where:
Base-Base interactions energy: -79.532
where: short stacking energy: -31.074
Base-Backbone interact. energy: 1.850
local terms energy: -46.484166
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -7.136
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: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -96.101543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.101543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.101543 (E_RNA)
where:
Base-Base interactions energy: -45.590
where: short stacking energy: -45.590
Base-Backbone interact. energy: -0.138
local terms energy: -50.373038
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -7.904
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: 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: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -94.438132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.438132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.438132 (E_RNA)
where:
Base-Base interactions energy: -40.990
where: short stacking energy: -31.674
Base-Backbone interact. energy: -0.038
local terms energy: -53.410358
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -100.293348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.293348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.293348 (E_RNA)
where:
Base-Base interactions energy: -43.208
where: short stacking energy: -38.455
Base-Backbone interact. energy: -0.238
local terms energy: -56.847647
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -143.456791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.456791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.456791 (E_RNA)
where:
Base-Base interactions energy: -76.155
where: short stacking energy: -48.196
Base-Backbone interact. energy: -1.487
local terms energy: -65.815010
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -125.726712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.726712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.726712 (E_RNA)
where:
Base-Base interactions energy: -65.562
where: short stacking energy: -47.284
Base-Backbone interact. energy: -0.185
local terms energy: -59.979213
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -118.311965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.311965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.311965 (E_RNA)
where:
Base-Base interactions energy: -58.732
where: short stacking energy: -37.565
Base-Backbone interact. energy: -0.244
local terms energy: -59.336575
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -94.756885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.756885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.756885 (E_RNA)
where:
Base-Base interactions energy: -40.026
where: short stacking energy: -28.962
Base-Backbone interact. energy: -0.141
local terms energy: -54.589266
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -86.658403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.658403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.658403 (E_RNA)
where:
Base-Base interactions energy: -29.727
where: short stacking energy: -25.017
Base-Backbone interact. energy: -1.490
local terms energy: -55.441479
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -80.271057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.271057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.271057 (E_RNA)
where:
Base-Base interactions energy: -36.911
where: short stacking energy: -33.801
Base-Backbone interact. energy: -0.513
local terms energy: -42.847345
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -9.918
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -0.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -84.158256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.158256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.158256 (E_RNA)
where:
Base-Base interactions energy: -39.770
where: short stacking energy: -23.861
Base-Backbone interact. energy: 0.661
local terms energy: -45.048677
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -7.169
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: 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: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -162.914490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.914490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.914490 (E_RNA)
where:
Base-Base interactions energy: -88.882
where: short stacking energy: -63.071
Base-Backbone interact. energy: -0.914
local terms energy: -73.119045
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -174.958436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.958436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.958436 (E_RNA)
where:
Base-Base interactions energy: -113.246
where: short stacking energy: -64.123
Base-Backbone interact. energy: -0.001
local terms energy: -61.711181
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -120.731013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.731013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.731013 (E_RNA)
where:
Base-Base interactions energy: -54.971
where: short stacking energy: -54.971
Base-Backbone interact. energy: -0.007
local terms energy: -65.753746
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -113.513363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.513363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.513363 (E_RNA)
where:
Base-Base interactions energy: -52.260
where: short stacking energy: -43.153
Base-Backbone interact. energy: -0.252
local terms energy: -61.001467
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -108.083859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.083859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.083859 (E_RNA)
where:
Base-Base interactions energy: -59.933
where: short stacking energy: -48.633
Base-Backbone interact. energy: -1.040
local terms energy: -47.110631
where:
bonds (distance) C4'-P energy: -6.858
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -7.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -89.617108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.617108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.617108 (E_RNA)
where:
Base-Base interactions energy: -40.128
where: short stacking energy: -38.196
Base-Backbone interact. energy: -1.127
local terms energy: -48.362106
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -4.233
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: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -85.974330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.974330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.974330 (E_RNA)
where:
Base-Base interactions energy: -40.709
where: short stacking energy: -35.318
Base-Backbone interact. energy: -0.057
local terms energy: -45.207713
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -2.963
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -83.708599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.708599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.708599 (E_RNA)
where:
Base-Base interactions energy: -33.370
where: short stacking energy: -31.208
Base-Backbone interact. energy: -0.185
local terms energy: -50.152981
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -9.158
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -11.966
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: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -202.089893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.089893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.089893 (E_RNA)
where:
Base-Base interactions energy: -129.337
where: short stacking energy: -62.275
Base-Backbone interact. energy: -1.043
local terms energy: -71.709668
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -17.524
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: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -161.271161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.271161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.271161 (E_RNA)
where:
Base-Base interactions energy: -85.432
where: short stacking energy: -63.264
Base-Backbone interact. energy: -1.595
local terms energy: -74.243966
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -164.787130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.787130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.787130 (E_RNA)
where:
Base-Base interactions energy: -100.804
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.082
local terms energy: -63.901077
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -118.953160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.953160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.953160 (E_RNA)
where:
Base-Base interactions energy: -55.526
where: short stacking energy: -51.973
Base-Backbone interact. energy: -0.005
local terms energy: -63.422533
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -145.650706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.650706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.650706 (E_RNA)
where:
Base-Base interactions energy: -82.632
where: short stacking energy: -45.251
Base-Backbone interact. energy: -0.861
local terms energy: -62.157416
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -99.203003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.203003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.203003 (E_RNA)
where:
Base-Base interactions energy: -39.956
where: short stacking energy: -39.956
Base-Backbone interact. energy: -0.082
local terms energy: -59.165619
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -9.881
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: 12
Temperature: 1.200000
Total energy: -110.678193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.678193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.678193 (E_RNA)
where:
Base-Base interactions energy: -56.424
where: short stacking energy: -46.168
Base-Backbone interact. energy: -0.011
local terms energy: -54.242493
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -11.993
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: 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: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -78.957739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.957739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.957739 (E_RNA)
where:
Base-Base interactions energy: -36.661
where: short stacking energy: -32.715
Base-Backbone interact. energy: -0.212
local terms energy: -42.084429
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -5.365
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -4.784
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: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -77.338993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.338993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.338993 (E_RNA)
where:
Base-Base interactions energy: -37.698
where: short stacking energy: -21.789
Base-Backbone interact. energy: 0.837
local terms energy: -40.478226
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: 3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -192.103777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.103777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.103777 (E_RNA)
where:
Base-Base interactions energy: -122.590
where: short stacking energy: -54.515
Base-Backbone interact. energy: -0.155
local terms energy: -69.359098
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -11.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -189.112771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.112771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.112771 (E_RNA)
where:
Base-Base interactions energy: -121.951
where: short stacking energy: -74.341
Base-Backbone interact. energy: -0.010
local terms energy: -67.151584
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -7.691
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: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -152.284372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.284372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.284372 (E_RNA)
where:
Base-Base interactions energy: -96.834
where: short stacking energy: -42.107
Base-Backbone interact. energy: -0.110
local terms energy: -55.340272
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -170.049539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.049539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.049539 (E_RNA)
where:
Base-Base interactions energy: -106.140
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.383
local terms energy: -63.526395
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -123.031304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.031304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.031304 (E_RNA)
where:
Base-Base interactions energy: -62.102
where: short stacking energy: -37.652
Base-Backbone interact. energy: 0.577
local terms energy: -61.506141
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -4.802
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: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -106.983114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.983114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.983114 (E_RNA)
where:
Base-Base interactions energy: -49.196
where: short stacking energy: -45.552
Base-Backbone interact. energy: -0.759
local terms energy: -57.028633
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -103.059230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.059230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.059230 (E_RNA)
where:
Base-Base interactions energy: -45.076
where: short stacking energy: -27.233
Base-Backbone interact. energy: -0.183
local terms energy: -57.799451
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -7.531
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: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -81.967583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.967583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.967583 (E_RNA)
where:
Base-Base interactions energy: -40.019
where: short stacking energy: -30.631
Base-Backbone interact. energy: 0.019
local terms energy: -41.966918
where:
bonds (distance) C4'-P energy: -7.066
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -88.114146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.114146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.114146 (E_RNA)
where:
Base-Base interactions energy: -38.479
where: short stacking energy: -31.502
Base-Backbone interact. energy: 0.085
local terms energy: -49.720166
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -83.617692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.617692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.617692 (E_RNA)
where:
Base-Base interactions energy: -36.785
where: short stacking energy: -23.290
Base-Backbone interact. energy: -0.068
local terms energy: -46.764902
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -172.004310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.004310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.004310 (E_RNA)
where:
Base-Base interactions energy: -106.312
where: short stacking energy: -57.624
Base-Backbone interact. energy: -0.095
local terms energy: -65.597385
where:
bonds (distance) C4'-P energy: -7.234
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -13.101
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: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -197.463191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.463191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.463191 (E_RNA)
where:
Base-Base interactions energy: -131.961
where: short stacking energy: -54.549
Base-Backbone interact. energy: -0.144
local terms energy: -65.358301
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -10.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -159.020936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.020936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.020936 (E_RNA)
where:
Base-Base interactions energy: -93.350
where: short stacking energy: -52.329
Base-Backbone interact. energy: -1.547
local terms energy: -64.124443
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -11.217
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: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -152.714139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.714139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.714139 (E_RNA)
where:
Base-Base interactions energy: -85.067
where: short stacking energy: -67.652
Base-Backbone interact. energy: 0.058
local terms energy: -67.705155
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -9.104
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: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -118.031342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.031342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.031342 (E_RNA)
where:
Base-Base interactions energy: -64.246
where: short stacking energy: -37.444
Base-Backbone interact. energy: -0.436
local terms energy: -53.348992
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -9.572
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: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -95.020985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.020985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.020985 (E_RNA)
where:
Base-Base interactions energy: -43.779
where: short stacking energy: -34.418
Base-Backbone interact. energy: 0.351
local terms energy: -51.593008
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -88.650528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.650528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.650528 (E_RNA)
where:
Base-Base interactions energy: -38.501
where: short stacking energy: -38.501
Base-Backbone interact. energy: -0.109
local terms energy: -50.040534
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -9.337
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: 14
Temperature: 1.250000
Total energy: -92.578937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.578937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.578937 (E_RNA)
where:
Base-Base interactions energy: -37.215
where: short stacking energy: -32.076
Base-Backbone interact. energy: -0.013
local terms energy: -55.351286
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -4.900
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -82.754209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.754209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.754209 (E_RNA)
where:
Base-Base interactions energy: -30.764
where: short stacking energy: -24.222
Base-Backbone interact. energy: -0.314
local terms energy: -51.676400
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -89.753049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.753049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.753049 (E_RNA)
where:
Base-Base interactions energy: -47.650
where: short stacking energy: -30.616
Base-Backbone interact. energy: -0.088
local terms energy: -42.016007
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -7.179
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -181.730299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.730299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.730299 (E_RNA)
where:
Base-Base interactions energy: -108.461
where: short stacking energy: -62.522
Base-Backbone interact. energy: -0.039
local terms energy: -73.229603
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -14.553
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: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -200.029248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.029248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.029248 (E_RNA)
where:
Base-Base interactions energy: -139.310
where: short stacking energy: -55.743
Base-Backbone interact. energy: -0.006
local terms energy: -60.713369
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -151.049516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.049516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.049516 (E_RNA)
where:
Base-Base interactions energy: -93.887
where: short stacking energy: -48.663
Base-Backbone interact. energy: -0.227
local terms energy: -56.935501
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -154.163173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.163173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.163173 (E_RNA)
where:
Base-Base interactions energy: -79.092
where: short stacking energy: -62.437
Base-Backbone interact. energy: -0.020
local terms energy: -75.051173
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -95.667641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.667641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.667641 (E_RNA)
where:
Base-Base interactions energy: -46.820
where: short stacking energy: -35.236
Base-Backbone interact. energy: -0.414
local terms energy: -48.433522
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -113.982648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.982648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.982648 (E_RNA)
where:
Base-Base interactions energy: -52.024
where: short stacking energy: -46.739
Base-Backbone interact. energy: -0.105
local terms energy: -61.854010
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -9.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -90.810557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.810557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.810557 (E_RNA)
where:
Base-Base interactions energy: -32.241
where: short stacking energy: -32.241
Base-Backbone interact. energy: -0.080
local terms energy: -58.489533
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -1.593
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: 3
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -87.731611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.731611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.731611 (E_RNA)
where:
Base-Base interactions energy: -23.666
where: short stacking energy: -23.666
Base-Backbone interact. energy: 0.456
local terms energy: -64.521942
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -13.739
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: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -82.978351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.978351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.978351 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -30.070
Base-Backbone interact. energy: -0.514
local terms energy: -50.584013
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -0.220
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: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -91.431479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.431479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.431479 (E_RNA)
where:
Base-Base interactions energy: -51.725
where: short stacking energy: -19.140
Base-Backbone interact. energy: -0.435
local terms energy: -39.271782
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -6.275
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: 0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -211.963031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.963031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.963031 (E_RNA)
where:
Base-Base interactions energy: -137.196
where: short stacking energy: -55.942
Base-Backbone interact. energy: -0.005
local terms energy: -74.761749
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -180.313825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.313825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.313825 (E_RNA)
where:
Base-Base interactions energy: -113.813
where: short stacking energy: -70.749
Base-Backbone interact. energy: -0.083
local terms energy: -66.417647
where:
bonds (distance) C4'-P energy: -6.927
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -176.048727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.048727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.048727 (E_RNA)
where:
Base-Base interactions energy: -105.358
where: short stacking energy: -51.611
Base-Backbone interact. energy: -0.066
local terms energy: -70.624775
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -10.294
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: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -160.138800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.138800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.138800 (E_RNA)
where:
Base-Base interactions energy: -94.733
where: short stacking energy: -42.006
Base-Backbone interact. energy: -1.051
local terms energy: -64.354997
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -9.585
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: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -106.940262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.940262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.940262 (E_RNA)
where:
Base-Base interactions energy: -45.064
where: short stacking energy: -41.641
Base-Backbone interact. energy: 0.494
local terms energy: -62.369808
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -5.064
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: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -106.159408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.159408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.159408 (E_RNA)
where:
Base-Base interactions energy: -60.911
where: short stacking energy: -36.233
Base-Backbone interact. energy: 0.109
local terms energy: -45.357799
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -0.426
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: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -100.520931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.520931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.520931 (E_RNA)
where:
Base-Base interactions energy: -44.270
where: short stacking energy: -42.601
Base-Backbone interact. energy: -0.213
local terms energy: -56.038354
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -82.226312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.226312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.226312 (E_RNA)
where:
Base-Base interactions energy: -29.834
where: short stacking energy: -28.149
Base-Backbone interact. energy: -0.199
local terms energy: -52.193957
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -79.329081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.329081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.329081 (E_RNA)
where:
Base-Base interactions energy: -28.387
where: short stacking energy: -24.799
Base-Backbone interact. energy: -0.169
local terms energy: -50.773385
where:
bonds (distance) C4'-P energy: -5.525
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -77.978946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.978946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.978946 (E_RNA)
where:
Base-Base interactions energy: -33.621
where: short stacking energy: -24.173
Base-Backbone interact. energy: -0.492
local terms energy: -43.866426
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -8.579
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: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -223.207807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.207807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.207807 (E_RNA)
where:
Base-Base interactions energy: -153.396
where: short stacking energy: -57.125
Base-Backbone interact. energy: -0.431
local terms energy: -69.380907
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -16.675
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: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -193.759674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.759674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.759674 (E_RNA)
where:
Base-Base interactions energy: -116.360
where: short stacking energy: -67.828
Base-Backbone interact. energy: -0.102
local terms energy: -77.297623
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -194.699420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.699420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.699420 (E_RNA)
where:
Base-Base interactions energy: -119.516
where: short stacking energy: -70.414
Base-Backbone interact. energy: -0.586
local terms energy: -74.597422
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -161.328412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.328412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.328412 (E_RNA)
where:
Base-Base interactions energy: -96.669
where: short stacking energy: -51.835
Base-Backbone interact. energy: -0.157
local terms energy: -64.502366
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -9.619
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: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -113.316029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.316029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.316029 (E_RNA)
where:
Base-Base interactions energy: -51.142
where: short stacking energy: -39.633
Base-Backbone interact. energy: -0.061
local terms energy: -62.112972
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -107.620742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.620742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.620742 (E_RNA)
where:
Base-Base interactions energy: -45.724
where: short stacking energy: -42.199
Base-Backbone interact. energy: -0.033
local terms energy: -61.864203
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -113.659026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.659026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.659026 (E_RNA)
where:
Base-Base interactions energy: -58.424
where: short stacking energy: -31.372
Base-Backbone interact. energy: -0.084
local terms energy: -55.150655
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -6.751
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: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -87.528574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.528574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.528574 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -17.222
Base-Backbone interact. energy: -0.543
local terms energy: -47.915385
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -1.368
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: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -85.823857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.823857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.823857 (E_RNA)
where:
Base-Base interactions energy: -36.896
where: short stacking energy: -33.078
Base-Backbone interact. energy: -0.669
local terms energy: -48.258406
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -76.032199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.032199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.032199 (E_RNA)
where:
Base-Base interactions energy: -27.796
where: short stacking energy: -26.087
Base-Backbone interact. energy: -1.483
local terms energy: -46.753505
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -11.609
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: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -212.046349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.046349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.046349 (E_RNA)
where:
Base-Base interactions energy: -138.566
where: short stacking energy: -65.966
Base-Backbone interact. energy: -0.054
local terms energy: -73.426432
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -180.353549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.353549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.353549 (E_RNA)
where:
Base-Base interactions energy: -111.157
where: short stacking energy: -53.045
Base-Backbone interact. energy: -1.439
local terms energy: -67.757506
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -171.086135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.086135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.086135 (E_RNA)
where:
Base-Base interactions energy: -95.107
where: short stacking energy: -47.464
Base-Backbone interact. energy: -1.059
local terms energy: -74.919458
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -15.910
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: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -156.020626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.020626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.020626 (E_RNA)
where:
Base-Base interactions energy: -86.662
where: short stacking energy: -47.117
Base-Backbone interact. energy: -0.744
local terms energy: -68.614193
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -111.388929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.388929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.388929 (E_RNA)
where:
Base-Base interactions energy: -50.725
where: short stacking energy: -31.047
Base-Backbone interact. energy: 0.014
local terms energy: -60.677413
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -10.177
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: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -94.495431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.495431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.495431 (E_RNA)
where:
Base-Base interactions energy: -34.128
where: short stacking energy: -32.397
Base-Backbone interact. energy: -0.326
local terms energy: -60.041562
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -11.880
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: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -90.794637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.794637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.794637 (E_RNA)
where:
Base-Base interactions energy: -28.325
where: short stacking energy: -26.608
Base-Backbone interact. energy: -0.121
local terms energy: -62.348177
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -88.442908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.442908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.442908 (E_RNA)
where:
Base-Base interactions energy: -51.591
where: short stacking energy: -35.366
Base-Backbone interact. energy: -0.187
local terms energy: -36.664948
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -3.054
tors. eta vs tors. theta energy: 0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -85.929630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.929630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.929630 (E_RNA)
where:
Base-Base interactions energy: -34.569
where: short stacking energy: -26.467
Base-Backbone interact. energy: -1.063
local terms energy: -50.298082
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -1.364
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: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -75.713692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.713692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.713692 (E_RNA)
where:
Base-Base interactions energy: -22.391
where: short stacking energy: -22.391
Base-Backbone interact. energy: -0.007
local terms energy: -53.315634
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -0.745
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: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -213.230511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.230511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.230511 (E_RNA)
where:
Base-Base interactions energy: -139.311
where: short stacking energy: -70.502
Base-Backbone interact. energy: -0.078
local terms energy: -73.841383
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -189.163278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.163278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.163278 (E_RNA)
where:
Base-Base interactions energy: -120.027
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.159
local terms energy: -68.977392
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -178.643568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.643568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.643568 (E_RNA)
where:
Base-Base interactions energy: -111.263
where: short stacking energy: -65.142
Base-Backbone interact. energy: -0.007
local terms energy: -67.373577
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -16.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -155.447403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.447403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.447403 (E_RNA)
where:
Base-Base interactions energy: -94.454
where: short stacking energy: -60.855
Base-Backbone interact. energy: -0.010
local terms energy: -60.982934
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -15.988
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: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -95.484580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.484580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.484580 (E_RNA)
where:
Base-Base interactions energy: -47.986
where: short stacking energy: -43.547
Base-Backbone interact. energy: -0.106
local terms energy: -47.392686
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -3.211
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -104.631783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.631783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.631783 (E_RNA)
where:
Base-Base interactions energy: -68.056
where: short stacking energy: -32.287
Base-Backbone interact. energy: -1.266
local terms energy: -35.309450
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -5.729
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -100.855859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.855859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.855859 (E_RNA)
where:
Base-Base interactions energy: -45.668
where: short stacking energy: -29.041
Base-Backbone interact. energy: -0.282
local terms energy: -54.906111
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -9.473
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: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -107.221479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.221479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.221479 (E_RNA)
where:
Base-Base interactions energy: -44.845
where: short stacking energy: -41.331
Base-Backbone interact. energy: -0.530
local terms energy: -61.846442
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -13.688
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: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -94.160607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.160607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.160607 (E_RNA)
where:
Base-Base interactions energy: -46.157
where: short stacking energy: -43.736
Base-Backbone interact. energy: -0.144
local terms energy: -47.859118
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -8.098
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -73.239796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.239796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.239796 (E_RNA)
where:
Base-Base interactions energy: -30.596
where: short stacking energy: -15.493
Base-Backbone interact. energy: -0.482
local terms energy: -42.161821
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: 0.374
tors. eta vs tors. theta energy: 0.818
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: 20
Temperature: 0.900000
Total energy: -213.576855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.576855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.576855 (E_RNA)
where:
Base-Base interactions energy: -142.835
where: short stacking energy: -66.142
Base-Backbone interact. energy: -0.003
local terms energy: -70.739063
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -18.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -191.742845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.742845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.742845 (E_RNA)
where:
Base-Base interactions energy: -118.581
where: short stacking energy: -62.027
Base-Backbone interact. energy: 0.274
local terms energy: -73.436297
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -9.892
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: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -197.054840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.054840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.054840 (E_RNA)
where:
Base-Base interactions energy: -121.684
where: short stacking energy: -75.963
Base-Backbone interact. energy: -0.001
local terms energy: -75.369814
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -159.916702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.916702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.916702 (E_RNA)
where:
Base-Base interactions energy: -101.417
where: short stacking energy: -54.263
Base-Backbone interact. energy: -2.581
local terms energy: -55.918343
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -7.353
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -111.774260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.774260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.774260 (E_RNA)
where:
Base-Base interactions energy: -52.306
where: short stacking energy: -46.988
Base-Backbone interact. energy: -0.394
local terms energy: -59.073828
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -6.769
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: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -98.569943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.569943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.569943 (E_RNA)
where:
Base-Base interactions energy: -41.296
where: short stacking energy: -32.805
Base-Backbone interact. energy: -0.563
local terms energy: -56.711275
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -91.170800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.170800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.170800 (E_RNA)
where:
Base-Base interactions energy: -43.821
where: short stacking energy: -34.442
Base-Backbone interact. energy: -0.821
local terms energy: -46.529243
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -7.534
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -90.912348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.912348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.912348 (E_RNA)
where:
Base-Base interactions energy: -36.066
where: short stacking energy: -31.569
Base-Backbone interact. energy: -0.103
local terms energy: -54.742688
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -2.880
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: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -76.123219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.123219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.123219 (E_RNA)
where:
Base-Base interactions energy: -29.177
where: short stacking energy: -26.468
Base-Backbone interact. energy: 0.226
local terms energy: -47.172224
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: 4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -85.990542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.990542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.990542 (E_RNA)
where:
Base-Base interactions energy: -41.208
where: short stacking energy: -40.491
Base-Backbone interact. energy: -0.009
local terms energy: -44.773243
where:
bonds (distance) C4'-P energy: -7.632
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -4.795
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -209.303232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.303232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.303232 (E_RNA)
where:
Base-Base interactions energy: -135.321
where: short stacking energy: -68.918
Base-Backbone interact. energy: -0.036
local terms energy: -73.945698
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -198.617878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.617878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.617878 (E_RNA)
where:
Base-Base interactions energy: -126.760
where: short stacking energy: -67.985
Base-Backbone interact. energy: -0.010
local terms energy: -71.848177
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -182.745778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.745778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.745778 (E_RNA)
where:
Base-Base interactions energy: -118.361
where: short stacking energy: -61.584
Base-Backbone interact. energy: -0.030
local terms energy: -64.354889
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -162.184047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.184047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.184047 (E_RNA)
where:
Base-Base interactions energy: -91.407
where: short stacking energy: -57.382
Base-Backbone interact. energy: -0.015
local terms energy: -70.762041
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -10.576
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: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -94.659827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.659827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.659827 (E_RNA)
where:
Base-Base interactions energy: -33.478
where: short stacking energy: -33.478
Base-Backbone interact. energy: -0.200
local terms energy: -60.982699
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -12.347
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: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -107.277594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.277594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.277594 (E_RNA)
where:
Base-Base interactions energy: -39.981
where: short stacking energy: -39.981
Base-Backbone interact. energy: -0.646
local terms energy: -66.650192
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -93.814243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.814243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.814243 (E_RNA)
where:
Base-Base interactions energy: -43.296
where: short stacking energy: -35.144
Base-Backbone interact. energy: -0.089
local terms energy: -50.429111
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -96.495419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.495419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.495419 (E_RNA)
where:
Base-Base interactions energy: -36.343
where: short stacking energy: -34.998
Base-Backbone interact. energy: -0.051
local terms energy: -60.101318
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -129.579536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.579536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.579536 (E_RNA)
where:
Base-Base interactions energy: -76.109
where: short stacking energy: -39.010
Base-Backbone interact. energy: -0.080
local terms energy: -53.391354
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -7.097
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: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -75.934182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.934182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.934182 (E_RNA)
where:
Base-Base interactions energy: -23.658
where: short stacking energy: -21.689
Base-Backbone interact. energy: 1.041
local terms energy: -53.317850
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -212.763089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.763089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.763089 (E_RNA)
where:
Base-Base interactions energy: -139.103
where: short stacking energy: -58.288
Base-Backbone interact. energy: -0.120
local terms energy: -73.540238
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.834
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: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -192.376166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.376166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.376166 (E_RNA)
where:
Base-Base interactions energy: -118.195
where: short stacking energy: -65.868
Base-Backbone interact. energy: -0.185
local terms energy: -73.995293
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.420
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: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -171.773884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.773884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.773884 (E_RNA)
where:
Base-Base interactions energy: -102.819
where: short stacking energy: -43.218
Base-Backbone interact. energy: -0.072
local terms energy: -68.883233
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -10.451
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: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -181.608938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.608938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.608938 (E_RNA)
where:
Base-Base interactions energy: -106.470
where: short stacking energy: -52.701
Base-Backbone interact. energy: -0.006
local terms energy: -75.132217
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -119.686999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.686999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.686999 (E_RNA)
where:
Base-Base interactions energy: -69.625
where: short stacking energy: -42.205
Base-Backbone interact. energy: -0.330
local terms energy: -49.732404
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -4.553
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: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -102.641037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.641037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.641037 (E_RNA)
where:
Base-Base interactions energy: -54.835
where: short stacking energy: -41.657
Base-Backbone interact. energy: -0.193
local terms energy: -47.613404
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: 0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -95.089463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.089463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.089463 (E_RNA)
where:
Base-Base interactions energy: -33.953
where: short stacking energy: -32.571
Base-Backbone interact. energy: -0.668
local terms energy: -60.468872
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -81.277345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.277345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.277345 (E_RNA)
where:
Base-Base interactions energy: -31.431
where: short stacking energy: -27.564
Base-Backbone interact. energy: -0.482
local terms energy: -49.364266
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -91.441014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.441014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.441014 (E_RNA)
where:
Base-Base interactions energy: -36.857
where: short stacking energy: -36.857
Base-Backbone interact. energy: -0.002
local terms energy: -54.581831
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -79.165381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.165381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.165381 (E_RNA)
where:
Base-Base interactions energy: -32.905
where: short stacking energy: -18.495
Base-Backbone interact. energy: 1.278
local terms energy: -47.538014
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -7.671
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: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -213.709471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.709471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.709471 (E_RNA)
where:
Base-Base interactions energy: -143.564
where: short stacking energy: -56.968
Base-Backbone interact. energy: 1.070
local terms energy: -71.216179
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -11.423
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: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -191.885745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.885745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.885745 (E_RNA)
where:
Base-Base interactions energy: -124.540
where: short stacking energy: -71.260
Base-Backbone interact. energy: 3.048
local terms energy: -70.394291
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -174.604859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.604859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.604859 (E_RNA)
where:
Base-Base interactions energy: -106.322
where: short stacking energy: -63.326
Base-Backbone interact. energy: -0.008
local terms energy: -68.274888
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -18.088
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: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -171.704523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.704523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.704523 (E_RNA)
where:
Base-Base interactions energy: -102.285
where: short stacking energy: -54.526
Base-Backbone interact. energy: -0.499
local terms energy: -68.920028
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -172.018699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.018699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.018699 (E_RNA)
where:
Base-Base interactions energy: -108.448
where: short stacking energy: -52.181
Base-Backbone interact. energy: -0.709
local terms energy: -62.861929
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -98.628653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.628653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.628653 (E_RNA)
where:
Base-Base interactions energy: -43.959
where: short stacking energy: -40.352
Base-Backbone interact. energy: -0.096
local terms energy: -54.573980
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -112.213659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.213659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.213659 (E_RNA)
where:
Base-Base interactions energy: -61.452
where: short stacking energy: -33.177
Base-Backbone interact. energy: -0.535
local terms energy: -50.226783
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -96.556653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.556653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.556653 (E_RNA)
where:
Base-Base interactions energy: -41.037
where: short stacking energy: -39.749
Base-Backbone interact. energy: -0.001
local terms energy: -55.519066
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -87.489039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.489039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.489039 (E_RNA)
where:
Base-Base interactions energy: -39.445
where: short stacking energy: -30.061
Base-Backbone interact. energy: -0.114
local terms energy: -47.930849
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -7.907
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: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -72.834755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.834755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.834755 (E_RNA)
where:
Base-Base interactions energy: -36.816
where: short stacking energy: -17.744
Base-Backbone interact. energy: -0.621
local terms energy: -35.397609
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -7.877
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: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -203.665526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.665526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.665526 (E_RNA)
where:
Base-Base interactions energy: -120.124
where: short stacking energy: -67.788
Base-Backbone interact. energy: -1.054
local terms energy: -82.487839
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -21.475
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: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -206.769153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.769153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.769153 (E_RNA)
where:
Base-Base interactions energy: -136.599
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.004
local terms energy: -70.166164
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -181.365632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.365632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.365632 (E_RNA)
where:
Base-Base interactions energy: -110.140
where: short stacking energy: -54.153
Base-Backbone interact. energy: -0.437
local terms energy: -70.787836
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -8.361
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: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -187.628741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.628741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.628741 (E_RNA)
where:
Base-Base interactions energy: -108.232
where: short stacking energy: -58.456
Base-Backbone interact. energy: -0.203
local terms energy: -79.193880
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -12.502
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: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -155.730567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.730567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.730567 (E_RNA)
where:
Base-Base interactions energy: -93.008
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.011
local terms energy: -62.710670
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -104.136661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.136661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.136661 (E_RNA)
where:
Base-Base interactions energy: -44.807
where: short stacking energy: -42.281
Base-Backbone interact. energy: -0.087
local terms energy: -59.242976
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -7.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -108.043088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.043088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.043088 (E_RNA)
where:
Base-Base interactions energy: -47.230
where: short stacking energy: -46.094
Base-Backbone interact. energy: -0.673
local terms energy: -60.140075
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -8.868
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: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -86.312953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.312953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.312953 (E_RNA)
where:
Base-Base interactions energy: -37.645
where: short stacking energy: -21.309
Base-Backbone interact. energy: -0.153
local terms energy: -48.514936
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -9.830
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: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -94.179114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.179114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.179114 (E_RNA)
where:
Base-Base interactions energy: -40.608
where: short stacking energy: -31.172
Base-Backbone interact. energy: -0.171
local terms energy: -53.399445
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -81.115333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.115333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.115333 (E_RNA)
where:
Base-Base interactions energy: -32.890
where: short stacking energy: -32.890
Base-Backbone interact. energy: -0.184
local terms energy: -48.041521
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -188.777682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.777682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.777682 (E_RNA)
where:
Base-Base interactions energy: -110.485
where: short stacking energy: -67.708
Base-Backbone interact. energy: -1.571
local terms energy: -76.722235
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -202.210491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.210491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.210491 (E_RNA)
where:
Base-Base interactions energy: -129.272
where: short stacking energy: -61.398
Base-Backbone interact. energy: 3.175
local terms energy: -76.113729
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -176.782860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.782860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.782860 (E_RNA)
where:
Base-Base interactions energy: -104.275
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.245
local terms energy: -72.262685
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -167.875416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.875416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.875416 (E_RNA)
where:
Base-Base interactions energy: -101.631
where: short stacking energy: -54.238
Base-Backbone interact. energy: -0.261
local terms energy: -65.983334
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -10.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -180.367066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.367066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.367066 (E_RNA)
where:
Base-Base interactions energy: -115.846
where: short stacking energy: -55.355
Base-Backbone interact. energy: -0.005
local terms energy: -64.516264
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -7.560
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: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -94.954105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.954105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.954105 (E_RNA)
where:
Base-Base interactions energy: -39.426
where: short stacking energy: -39.089
Base-Backbone interact. energy: -0.040
local terms energy: -55.488321
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -8.928
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: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -87.450680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.450680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.450680 (E_RNA)
where:
Base-Base interactions energy: -34.726
where: short stacking energy: -27.934
Base-Backbone interact. energy: 0.106
local terms energy: -52.830529
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -7.839
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: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -87.803669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.803669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.803669 (E_RNA)
where:
Base-Base interactions energy: -37.326
where: short stacking energy: -31.980
Base-Backbone interact. energy: -0.290
local terms energy: -50.187192
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -90.689405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.689405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.689405 (E_RNA)
where:
Base-Base interactions energy: -31.539
where: short stacking energy: -29.303
Base-Backbone interact. energy: -2.381
local terms energy: -56.769936
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -10.811
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: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -81.453329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.453329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.453329 (E_RNA)
where:
Base-Base interactions energy: -28.576
where: short stacking energy: -15.396
Base-Backbone interact. energy: -0.142
local terms energy: -52.735316
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -184.996198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.996198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.996198 (E_RNA)
where:
Base-Base interactions energy: -125.158
where: short stacking energy: -61.058
Base-Backbone interact. energy: -0.157
local terms energy: -59.680641
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -184.994147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.994147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.994147 (E_RNA)
where:
Base-Base interactions energy: -111.702
where: short stacking energy: -63.734
Base-Backbone interact. energy: -0.076
local terms energy: -73.216208
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -13.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -171.462875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.462875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.462875 (E_RNA)
where:
Base-Base interactions energy: -109.579
where: short stacking energy: -46.354
Base-Backbone interact. energy: -0.022
local terms energy: -61.861427
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -11.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -161.031542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.031542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.031542 (E_RNA)
where:
Base-Base interactions energy: -92.665
where: short stacking energy: -53.280
Base-Backbone interact. energy: -0.188
local terms energy: -68.178614
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -182.632912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.632912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.632912 (E_RNA)
where:
Base-Base interactions energy: -123.852
where: short stacking energy: -52.255
Base-Backbone interact. energy: -0.022
local terms energy: -58.759122
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -105.546065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.546065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.546065 (E_RNA)
where:
Base-Base interactions energy: -46.280
where: short stacking energy: -44.606
Base-Backbone interact. energy: -0.189
local terms energy: -59.076948
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.833
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: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -96.252922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.252922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.252922 (E_RNA)
where:
Base-Base interactions energy: -41.627
where: short stacking energy: -37.269
Base-Backbone interact. energy: -0.029
local terms energy: -54.597275
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -85.111507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.111507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.111507 (E_RNA)
where:
Base-Base interactions energy: -30.464
where: short stacking energy: -30.464
Base-Backbone interact. energy: -0.022
local terms energy: -54.625044
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -90.550351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.550351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.550351 (E_RNA)
where:
Base-Base interactions energy: -44.738
where: short stacking energy: -24.510
Base-Backbone interact. energy: -0.437
local terms energy: -45.374599
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -75.920762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.920762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.920762 (E_RNA)
where:
Base-Base interactions energy: -32.055
where: short stacking energy: -30.718
Base-Backbone interact. energy: -0.085
local terms energy: -43.780741
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -5.832
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -8.066
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: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -193.343642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.343642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.343642 (E_RNA)
where:
Base-Base interactions energy: -118.171
where: short stacking energy: -61.943
Base-Backbone interact. energy: -0.019
local terms energy: -75.153150
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -182.506039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.506039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.506039 (E_RNA)
where:
Base-Base interactions energy: -118.797
where: short stacking energy: -51.816
Base-Backbone interact. energy: -0.436
local terms energy: -63.272413
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -176.626183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.626183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.626183 (E_RNA)
where:
Base-Base interactions energy: -114.045
where: short stacking energy: -58.103
Base-Backbone interact. energy: 1.056
local terms energy: -63.637215
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -180.409079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.409079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.409079 (E_RNA)
where:
Base-Base interactions energy: -110.905
where: short stacking energy: -46.877
Base-Backbone interact. energy: -0.194
local terms energy: -69.310087
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -154.180477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.180477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.180477 (E_RNA)
where:
Base-Base interactions energy: -86.639
where: short stacking energy: -44.286
Base-Backbone interact. energy: 0.292
local terms energy: -67.833750
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -102.878688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.878688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.878688 (E_RNA)
where:
Base-Base interactions energy: -44.361
where: short stacking energy: -44.361
Base-Backbone interact. energy: -0.201
local terms energy: -58.316546
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -106.990882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.990882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.990882 (E_RNA)
where:
Base-Base interactions energy: -60.661
where: short stacking energy: -32.880
Base-Backbone interact. energy: 0.391
local terms energy: -46.721146
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -86.722641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.722641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.722641 (E_RNA)
where:
Base-Base interactions energy: -33.906
where: short stacking energy: -33.916
Base-Backbone interact. energy: -0.213
local terms energy: -52.604199
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -0.187
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -78.484916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.484916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.484916 (E_RNA)
where:
Base-Base interactions energy: -26.893
where: short stacking energy: -27.093
Base-Backbone interact. energy: -0.436
local terms energy: -51.156836
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -2.565
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: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -79.724041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.724041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.724041 (E_RNA)
where:
Base-Base interactions energy: -31.997
where: short stacking energy: -30.981
Base-Backbone interact. energy: -0.104
local terms energy: -47.623443
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -215.043186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.043186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.043186 (E_RNA)
where:
Base-Base interactions energy: -140.175
where: short stacking energy: -70.321
Base-Backbone interact. energy: -0.376
local terms energy: -74.491913
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -16.671
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: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -192.480518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.480518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.480518 (E_RNA)
where:
Base-Base interactions energy: -116.526
where: short stacking energy: -70.569
Base-Backbone interact. energy: 0.781
local terms energy: -76.735620
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -19.900
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: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -163.979305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.979305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.979305 (E_RNA)
where:
Base-Base interactions energy: -95.390
where: short stacking energy: -61.515
Base-Backbone interact. energy: -0.018
local terms energy: -68.570880
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -201.684928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.684928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.684928 (E_RNA)
where:
Base-Base interactions energy: -129.178
where: short stacking energy: -57.440
Base-Backbone interact. energy: 0.552
local terms energy: -73.059239
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -149.698621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.698621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.698621 (E_RNA)
where:
Base-Base interactions energy: -89.158
where: short stacking energy: -55.193
Base-Backbone interact. energy: -0.161
local terms energy: -60.379677
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -7.523
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: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -103.787855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.787855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.787855 (E_RNA)
where:
Base-Base interactions energy: -43.993
where: short stacking energy: -43.993
Base-Backbone interact. energy: -0.062
local terms energy: -59.732834
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -10.447
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: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -87.961752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.961752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.961752 (E_RNA)
where:
Base-Base interactions energy: -34.374
where: short stacking energy: -28.362
Base-Backbone interact. energy: -0.575
local terms energy: -53.012434
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -3.977
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: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -141.454426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.454426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.454426 (E_RNA)
where:
Base-Base interactions energy: -82.610
where: short stacking energy: -48.039
Base-Backbone interact. energy: -0.096
local terms energy: -58.748529
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: -8.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -81.783530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.783530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.783530 (E_RNA)
where:
Base-Base interactions energy: -37.422
where: short stacking energy: -37.422
Base-Backbone interact. energy: -0.002
local terms energy: -44.359138
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -77.613359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.613359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.613359 (E_RNA)
where:
Base-Base interactions energy: -36.846
where: short stacking energy: -33.217
Base-Backbone interact. energy: -0.253
local terms energy: -40.514645
where:
bonds (distance) C4'-P energy: -7.284
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -1.721
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -206.107132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.107132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.107132 (E_RNA)
where:
Base-Base interactions energy: -135.295
where: short stacking energy: -63.158
Base-Backbone interact. energy: -0.640
local terms energy: -70.172215
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.282
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: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -201.179513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.179513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.179513 (E_RNA)
where:
Base-Base interactions energy: -125.086
where: short stacking energy: -70.136
Base-Backbone interact. energy: 0.333
local terms energy: -76.426071
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -163.299623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.299623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.299623 (E_RNA)
where:
Base-Base interactions energy: -93.904
where: short stacking energy: -46.317
Base-Backbone interact. energy: 0.150
local terms energy: -69.545557
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -188.598289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.598289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.598289 (E_RNA)
where:
Base-Base interactions energy: -121.288
where: short stacking energy: -49.477
Base-Backbone interact. energy: -0.015
local terms energy: -67.294382
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -10.408
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: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -158.341695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.341695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.341695 (E_RNA)
where:
Base-Base interactions energy: -88.872
where: short stacking energy: -47.355
Base-Backbone interact. energy: 0.325
local terms energy: -69.794326
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -96.074559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.074559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.074559 (E_RNA)
where:
Base-Base interactions energy: -44.650
where: short stacking energy: -45.002
Base-Backbone interact. energy: -0.024
local terms energy: -51.400643
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -104.407711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.407711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.407711 (E_RNA)
where:
Base-Base interactions energy: -51.515
where: short stacking energy: -35.330
Base-Backbone interact. energy: 1.344
local terms energy: -54.237216
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -6.597
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -9.587
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: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -91.071433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.071433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.071433 (E_RNA)
where:
Base-Base interactions energy: -36.398
where: short stacking energy: -36.398
Base-Backbone interact. energy: -0.154
local terms energy: -54.519528
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -133.541293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.541293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.541293 (E_RNA)
where:
Base-Base interactions energy: -80.728
where: short stacking energy: -43.196
Base-Backbone interact. energy: -0.235
local terms energy: -52.577707
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -8.900
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -3.689
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: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -74.665653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.665653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.665653 (E_RNA)
where:
Base-Base interactions energy: -27.728
where: short stacking energy: -27.066
Base-Backbone interact. energy: -0.631
local terms energy: -46.306067
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -6.147
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -7.748
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: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -205.973358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.973358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.973358 (E_RNA)
where:
Base-Base interactions energy: -132.090
where: short stacking energy: -66.356
Base-Backbone interact. energy: -2.240
local terms energy: -71.643356
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -13.871
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: 30
Temperature: 0.950000
Total energy: -208.000260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.000260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.000260 (E_RNA)
where:
Base-Base interactions energy: -136.867
where: short stacking energy: -60.816
Base-Backbone interact. energy: -0.086
local terms energy: -71.047312
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -15.819
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: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -184.926504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.926504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.926504 (E_RNA)
where:
Base-Base interactions energy: -124.088
where: short stacking energy: -55.110
Base-Backbone interact. energy: -0.008
local terms energy: -60.830618
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -9.753
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: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -162.845112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.845112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.845112 (E_RNA)
where:
Base-Base interactions energy: -93.537
where: short stacking energy: -51.294
Base-Backbone interact. energy: -1.481
local terms energy: -67.826191
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -161.309174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.309174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.309174 (E_RNA)
where:
Base-Base interactions energy: -96.490
where: short stacking energy: -39.281
Base-Backbone interact. energy: -0.913
local terms energy: -63.906237
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -7.892
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: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -109.422940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.422940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.422940 (E_RNA)
where:
Base-Base interactions energy: -58.537
where: short stacking energy: -38.661
Base-Backbone interact. energy: -0.019
local terms energy: -50.866761
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -6.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -96.178261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.178261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.178261 (E_RNA)
where:
Base-Base interactions energy: -41.384
where: short stacking energy: -28.555
Base-Backbone interact. energy: -0.023
local terms energy: -54.771497
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -5.040
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: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -89.043596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.043596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.043596 (E_RNA)
where:
Base-Base interactions energy: -36.395
where: short stacking energy: -31.652
Base-Backbone interact. energy: 0.334
local terms energy: -52.982560
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -103.428472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.428472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.428472 (E_RNA)
where:
Base-Base interactions energy: -50.334
where: short stacking energy: -24.994
Base-Backbone interact. energy: -0.999
local terms energy: -52.095046
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -80.634491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.634491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.634491 (E_RNA)
where:
Base-Base interactions energy: -29.245
where: short stacking energy: -21.502
Base-Backbone interact. energy: -0.060
local terms energy: -51.328897
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -213.596225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.596225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.596225 (E_RNA)
where:
Base-Base interactions energy: -143.416
where: short stacking energy: -53.449
Base-Backbone interact. energy: -0.422
local terms energy: -69.758675
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -200.705973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.705973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.705973 (E_RNA)
where:
Base-Base interactions energy: -137.422
where: short stacking energy: -60.353
Base-Backbone interact. energy: -0.182
local terms energy: -63.102079
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -10.915
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: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -185.242204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.242204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.242204 (E_RNA)
where:
Base-Base interactions energy: -118.484
where: short stacking energy: -51.871
Base-Backbone interact. energy: -0.043
local terms energy: -66.715122
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -191.692221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.692221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.692221 (E_RNA)
where:
Base-Base interactions energy: -124.218
where: short stacking energy: -69.011
Base-Backbone interact. energy: 0.241
local terms energy: -67.715480
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -153.364121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.364121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.364121 (E_RNA)
where:
Base-Base interactions energy: -87.136
where: short stacking energy: -52.669
Base-Backbone interact. energy: -0.423
local terms energy: -65.805015
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -122.131973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.131973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.131973 (E_RNA)
where:
Base-Base interactions energy: -54.148
where: short stacking energy: -41.478
Base-Backbone interact. energy: -0.398
local terms energy: -67.586782
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -13.313
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: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -100.605449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.605449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.605449 (E_RNA)
where:
Base-Base interactions energy: -40.571
where: short stacking energy: -36.163
Base-Backbone interact. energy: -0.121
local terms energy: -59.913328
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -85.766873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.766873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.766873 (E_RNA)
where:
Base-Base interactions energy: -33.274
where: short stacking energy: -27.766
Base-Backbone interact. energy: -0.382
local terms energy: -52.110808
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -84.122132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.122132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.122132 (E_RNA)
where:
Base-Base interactions energy: -33.999
where: short stacking energy: -32.969
Base-Backbone interact. energy: -0.581
local terms energy: -49.541579
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -1.481
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: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -79.589861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.589861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.589861 (E_RNA)
where:
Base-Base interactions energy: -33.692
where: short stacking energy: -21.445
Base-Backbone interact. energy: 0.121
local terms energy: -46.018530
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: 2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -204.662203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.662203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.662203 (E_RNA)
where:
Base-Base interactions energy: -137.790
where: short stacking energy: -69.419
Base-Backbone interact. energy: -0.308
local terms energy: -66.564742
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -205.937367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.937367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.937367 (E_RNA)
where:
Base-Base interactions energy: -135.561
where: short stacking energy: -63.147
Base-Backbone interact. energy: -1.377
local terms energy: -68.999189
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -190.963385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.963385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.963385 (E_RNA)
where:
Base-Base interactions energy: -119.582
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.304
local terms energy: -71.077322
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -174.656531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.656531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.656531 (E_RNA)
where:
Base-Base interactions energy: -109.715
where: short stacking energy: -43.419
Base-Backbone interact. energy: -0.299
local terms energy: -64.642303
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -12.227
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: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -158.668512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.668512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.668512 (E_RNA)
where:
Base-Base interactions energy: -89.176
where: short stacking energy: -56.379
Base-Backbone interact. energy: -0.009
local terms energy: -69.483843
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -12.487
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: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -107.653630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.653630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.653630 (E_RNA)
where:
Base-Base interactions energy: -51.457
where: short stacking energy: -50.023
Base-Backbone interact. energy: -0.875
local terms energy: -55.321669
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -4.467
tors. eta vs tors. theta energy: -10.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -113.536915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.536915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.536915 (E_RNA)
where:
Base-Base interactions energy: -59.667
where: short stacking energy: -47.267
Base-Backbone interact. energy: 0.537
local terms energy: -54.407309
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -6.868
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: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -85.191276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.191276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.191276 (E_RNA)
where:
Base-Base interactions energy: -32.210
where: short stacking energy: -23.354
Base-Backbone interact. energy: 0.494
local terms energy: -53.475113
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: 0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -89.788167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.788167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.788167 (E_RNA)
where:
Base-Base interactions energy: -39.077
where: short stacking energy: -29.110
Base-Backbone interact. energy: -0.290
local terms energy: -50.421334
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -78.988232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.988232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.988232 (E_RNA)
where:
Base-Base interactions energy: -31.641
where: short stacking energy: -25.214
Base-Backbone interact. energy: 0.345
local terms energy: -47.692277
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -202.061198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.061198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.061198 (E_RNA)
where:
Base-Base interactions energy: -140.633
where: short stacking energy: -55.807
Base-Backbone interact. energy: -0.285
local terms energy: -61.143193
where:
bonds (distance) C4'-P energy: -9.289
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -15.092
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: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -196.442782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.442782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.442782 (E_RNA)
where:
Base-Base interactions energy: -127.305
where: short stacking energy: -50.949
Base-Backbone interact. energy: -0.291
local terms energy: -68.846976
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -12.911
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: 33
Temperature: 1.000000
Total energy: -179.638960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.638960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.638960 (E_RNA)
where:
Base-Base interactions energy: -112.462
where: short stacking energy: -60.973
Base-Backbone interact. energy: -0.104
local terms energy: -67.072861
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -158.398189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.398189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.398189 (E_RNA)
where:
Base-Base interactions energy: -86.858
where: short stacking energy: -50.531
Base-Backbone interact. energy: -0.106
local terms energy: -71.433903
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -10.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -162.898064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.898064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.898064 (E_RNA)
where:
Base-Base interactions energy: -106.931
where: short stacking energy: -43.448
Base-Backbone interact. energy: -0.200
local terms energy: -55.766875
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -10.454
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: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -100.853920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.853920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.853920 (E_RNA)
where:
Base-Base interactions energy: -45.994
where: short stacking energy: -34.898
Base-Backbone interact. energy: -0.019
local terms energy: -54.840885
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -95.989497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.989497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.989497 (E_RNA)
where:
Base-Base interactions energy: -34.195
where: short stacking energy: -32.219
Base-Backbone interact. energy: -0.118
local terms energy: -61.676523
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -7.277
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: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -84.328178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.328178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.328178 (E_RNA)
where:
Base-Base interactions energy: -33.022
where: short stacking energy: -33.022
Base-Backbone interact. energy: -0.086
local terms energy: -51.219988
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -7.928
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: 9, replica: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -74.794081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.794081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.794081 (E_RNA)
where:
Base-Base interactions energy: -28.973
where: short stacking energy: -28.174
Base-Backbone interact. energy: -0.176
local terms energy: -45.645252
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -8.644
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -79.454807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.454807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.454807 (E_RNA)
where:
Base-Base interactions energy: -29.616
where: short stacking energy: -26.787
Base-Backbone interact. energy: 0.653
local terms energy: -50.491488
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -5.792
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: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -199.283929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.283929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.283929 (E_RNA)
where:
Base-Base interactions energy: -133.526
where: short stacking energy: -63.188
Base-Backbone interact. energy: -0.143
local terms energy: -65.614816
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -198.853368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.853368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.853368 (E_RNA)
where:
Base-Base interactions energy: -122.285
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.003
local terms energy: -76.565113
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -173.932145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.932145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.932145 (E_RNA)
where:
Base-Base interactions energy: -107.863
where: short stacking energy: -52.979
Base-Backbone interact. energy: -0.301
local terms energy: -65.768198
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -180.638167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.638167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.638167 (E_RNA)
where:
Base-Base interactions energy: -106.942
where: short stacking energy: -59.783
Base-Backbone interact. energy: -0.016
local terms energy: -73.679569
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -15.505
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: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -99.748336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.748336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.748336 (E_RNA)
where:
Base-Base interactions energy: -43.671
where: short stacking energy: -38.079
Base-Backbone interact. energy: -0.438
local terms energy: -55.639686
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -177.508274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.508274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.508274 (E_RNA)
where:
Base-Base interactions energy: -116.237
where: short stacking energy: -51.995
Base-Backbone interact. energy: -0.322
local terms energy: -60.949608
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -6.852
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: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -88.832977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.832977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.832977 (E_RNA)
where:
Base-Base interactions energy: -40.649
where: short stacking energy: -39.125
Base-Backbone interact. energy: -0.071
local terms energy: -48.112614
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -86.247293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.247293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.247293 (E_RNA)
where:
Base-Base interactions energy: -31.252
where: short stacking energy: -26.594
Base-Backbone interact. energy: -1.077
local terms energy: -53.918717
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -3.728
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: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -74.264097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.264097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.264097 (E_RNA)
where:
Base-Base interactions energy: -30.225
where: short stacking energy: -26.512
Base-Backbone interact. energy: -0.228
local terms energy: -43.811111
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -4.152
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: 34
Temperature: 1.350000
Total energy: -84.467617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.467617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.467617 (E_RNA)
where:
Base-Base interactions energy: -41.851
where: short stacking energy: -18.532
Base-Backbone interact. energy: -2.262
local terms energy: -40.354420
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -6.652
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: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -201.866287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.866287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.866287 (E_RNA)
where:
Base-Base interactions energy: -129.561
where: short stacking energy: -62.938
Base-Backbone interact. energy: -0.215
local terms energy: -72.090939
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -9.880
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: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -177.770880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.770880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.770880 (E_RNA)
where:
Base-Base interactions energy: -102.320
where: short stacking energy: -63.949
Base-Backbone interact. energy: -0.090
local terms energy: -75.360516
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -163.246765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.246765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.246765 (E_RNA)
where:
Base-Base interactions energy: -105.634
where: short stacking energy: -44.713
Base-Backbone interact. energy: -0.143
local terms energy: -57.469913
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -9.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -166.361486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.361486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.361486 (E_RNA)
where:
Base-Base interactions energy: -103.145
where: short stacking energy: -46.657
Base-Backbone interact. energy: -0.794
local terms energy: -62.422863
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -12.991
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: 5, replica: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -101.516720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.516720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.516720 (E_RNA)
where:
Base-Base interactions energy: -40.233
where: short stacking energy: -40.233
Base-Backbone interact. energy: -0.098
local terms energy: -61.185418
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -9.805
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: 6, replica: 3
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -157.568029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.568029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.568029 (E_RNA)
where:
Base-Base interactions energy: -101.293
where: short stacking energy: -36.017
Base-Backbone interact. energy: -0.205
local terms energy: -56.069730
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -7.979
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: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -97.297200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.297200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.297200 (E_RNA)
where:
Base-Base interactions energy: -48.596
where: short stacking energy: -44.446
Base-Backbone interact. energy: 0.153
local terms energy: -48.854443
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -6.183
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -82.770474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.770474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.770474 (E_RNA)
where:
Base-Base interactions energy: -33.052
where: short stacking energy: -33.029
Base-Backbone interact. energy: 0.015
local terms energy: -49.733653
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -9.264
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -74.689446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.689446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.689446 (E_RNA)
where:
Base-Base interactions energy: -20.674
where: short stacking energy: -20.674
Base-Backbone interact. energy: -0.203
local terms energy: -53.812644
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -76.490079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.490079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.490079 (E_RNA)
where:
Base-Base interactions energy: -22.411
where: short stacking energy: -17.212
Base-Backbone interact. energy: 0.166
local terms energy: -54.245478
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: 3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -181.747643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.747643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.747643 (E_RNA)
where:
Base-Base interactions energy: -110.548
where: short stacking energy: -60.948
Base-Backbone interact. energy: -0.378
local terms energy: -70.822220
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -207.218993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.218993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.218993 (E_RNA)
where:
Base-Base interactions energy: -137.430
where: short stacking energy: -64.552
Base-Backbone interact. energy: -1.177
local terms energy: -68.611932
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -16.003
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: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -165.189658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.189658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.189658 (E_RNA)
where:
Base-Base interactions energy: -95.254
where: short stacking energy: -61.078
Base-Backbone interact. energy: -0.282
local terms energy: -69.654143
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -5.102
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: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -159.674894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.674894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.674894 (E_RNA)
where:
Base-Base interactions energy: -96.124
where: short stacking energy: -56.736
Base-Backbone interact. energy: -0.101
local terms energy: -63.449550
where:
bonds (distance) C4'-P energy: -6.481
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -177.530462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.530462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.530462 (E_RNA)
where:
Base-Base interactions energy: -106.830
where: short stacking energy: -60.369
Base-Backbone interact. energy: -0.007
local terms energy: -70.694159
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -17.800
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: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -112.245425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.245425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.245425 (E_RNA)
where:
Base-Base interactions energy: -50.222
where: short stacking energy: -50.222
Base-Backbone interact. energy: -0.082
local terms energy: -61.940807
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -125.085359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.085359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.085359 (E_RNA)
where:
Base-Base interactions energy: -63.364
where: short stacking energy: -38.874
Base-Backbone interact. energy: -0.015
local terms energy: -61.706327
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -11.703
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: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -92.981463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.981463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.981463 (E_RNA)
where:
Base-Base interactions energy: -39.503
where: short stacking energy: -33.982
Base-Backbone interact. energy: -1.351
local terms energy: -52.127753
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -7.964
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: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -88.241254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.241254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.241254 (E_RNA)
where:
Base-Base interactions energy: -38.820
where: short stacking energy: -32.221
Base-Backbone interact. energy: -0.149
local terms energy: -49.272778
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -87.774714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.774714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.774714 (E_RNA)
where:
Base-Base interactions energy: -35.015
where: short stacking energy: -31.690
Base-Backbone interact. energy: -0.111
local terms energy: -52.648479
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -190.933231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.933231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.933231 (E_RNA)
where:
Base-Base interactions energy: -117.817
where: short stacking energy: -74.936
Base-Backbone interact. energy: -0.029
local terms energy: -73.086913
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -10.520
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: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -191.221252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.221252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.221252 (E_RNA)
where:
Base-Base interactions energy: -120.088
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.577
local terms energy: -70.556043
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -13.461
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: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -191.158364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.158364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.158364 (E_RNA)
where:
Base-Base interactions energy: -116.747
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.242
local terms energy: -74.169876
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -176.684927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.684927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.684927 (E_RNA)
where:
Base-Base interactions energy: -104.043
where: short stacking energy: -58.070
Base-Backbone interact. energy: -0.027
local terms energy: -72.614855
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -173.613105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.613105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.613105 (E_RNA)
where:
Base-Base interactions energy: -106.481
where: short stacking energy: -53.713
Base-Backbone interact. energy: -0.213
local terms energy: -66.918175
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -104.693884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.693884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.693884 (E_RNA)
where:
Base-Base interactions energy: -46.975
where: short stacking energy: -39.946
Base-Backbone interact. energy: -0.173
local terms energy: -57.545788
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -5.913
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -97.591364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.591364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.591364 (E_RNA)
where:
Base-Base interactions energy: -41.301
where: short stacking energy: -41.301
Base-Backbone interact. energy: -0.031
local terms energy: -56.259350
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -88.295618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.295618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.295618 (E_RNA)
where:
Base-Base interactions energy: -39.943
where: short stacking energy: -30.554
Base-Backbone interact. energy: -0.179
local terms energy: -48.173167
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -79.188171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.188171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.188171 (E_RNA)
where:
Base-Base interactions energy: -36.013
where: short stacking energy: -28.766
Base-Backbone interact. energy: 0.495
local terms energy: -43.670334
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -8.679
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: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -72.506228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.506228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.506228 (E_RNA)
where:
Base-Base interactions energy: -25.312
where: short stacking energy: -23.527
Base-Backbone interact. energy: -0.171
local terms energy: -47.023634
where:
bonds (distance) C4'-P energy: -7.943
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -191.808026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.808026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.808026 (E_RNA)
where:
Base-Base interactions energy: -118.347
where: short stacking energy: -57.741
Base-Backbone interact. energy: -0.006
local terms energy: -73.455367
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -186.818597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.818597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.818597 (E_RNA)
where:
Base-Base interactions energy: -118.710
where: short stacking energy: -56.256
Base-Backbone interact. energy: -0.367
local terms energy: -67.741724
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -11.822
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: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -180.253397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.253397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.253397 (E_RNA)
where:
Base-Base interactions energy: -111.843
where: short stacking energy: -62.695
Base-Backbone interact. energy: 0.052
local terms energy: -68.462898
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -13.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -192.372815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.372815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.372815 (E_RNA)
where:
Base-Base interactions energy: -124.217
where: short stacking energy: -70.679
Base-Backbone interact. energy: 0.091
local terms energy: -68.246544
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -18.992
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: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -164.134917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.134917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.134917 (E_RNA)
where:
Base-Base interactions energy: -93.400
where: short stacking energy: -57.038
Base-Backbone interact. energy: -0.469
local terms energy: -70.266208
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -14.550
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: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -100.527760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.527760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.527760 (E_RNA)
where:
Base-Base interactions energy: -39.000
where: short stacking energy: -36.764
Base-Backbone interact. energy: -0.408
local terms energy: -61.119737
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -10.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -93.574636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.574636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.574636 (E_RNA)
where:
Base-Base interactions energy: -45.019
where: short stacking energy: -34.876
Base-Backbone interact. energy: -0.923
local terms energy: -47.632019
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -5.988
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -101.259379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.259379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.259379 (E_RNA)
where:
Base-Base interactions energy: -51.750
where: short stacking energy: -23.424
Base-Backbone interact. energy: -0.080
local terms energy: -49.429177
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: 3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -82.866908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.866908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.866908 (E_RNA)
where:
Base-Base interactions energy: -30.678
where: short stacking energy: -30.678
Base-Backbone interact. energy: -0.128
local terms energy: -52.061003
where:
bonds (distance) C4'-P energy: -8.986
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -8.905
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: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -78.260484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.260484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.260484 (E_RNA)
where:
Base-Base interactions energy: -27.142
where: short stacking energy: -26.099
Base-Backbone interact. energy: -0.178
local terms energy: -50.940720
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -181.796932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.796932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.796932 (E_RNA)
where:
Base-Base interactions energy: -115.122
where: short stacking energy: -63.868
Base-Backbone interact. energy: -0.005
local terms energy: -66.669910
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -7.430
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: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -183.021736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.021736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.021736 (E_RNA)
where:
Base-Base interactions energy: -111.830
where: short stacking energy: -62.960
Base-Backbone interact. energy: -0.110
local terms energy: -71.082098
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -181.552115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.552115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.552115 (E_RNA)
where:
Base-Base interactions energy: -112.055
where: short stacking energy: -68.389
Base-Backbone interact. energy: -0.024
local terms energy: -69.473603
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -168.166064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.166064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.166064 (E_RNA)
where:
Base-Base interactions energy: -95.170
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.012
local terms energy: -72.984205
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -155.742514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.742514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.742514 (E_RNA)
where:
Base-Base interactions energy: -99.376
where: short stacking energy: -43.409
Base-Backbone interact. energy: -0.382
local terms energy: -55.984552
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -92.134798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.134798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.134798 (E_RNA)
where:
Base-Base interactions energy: -37.302
where: short stacking energy: -30.878
Base-Backbone interact. energy: -0.427
local terms energy: -54.406339
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -8.294
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: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -93.311971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.311971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.311971 (E_RNA)
where:
Base-Base interactions energy: -34.903
where: short stacking energy: -34.196
Base-Backbone interact. energy: -0.069
local terms energy: -58.340456
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -98.404100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.404100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.404100 (E_RNA)
where:
Base-Base interactions energy: -37.887
where: short stacking energy: -33.419
Base-Backbone interact. energy: -0.519
local terms energy: -59.998162
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -5.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -86.251710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.251710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.251710 (E_RNA)
where:
Base-Base interactions energy: -39.440
where: short stacking energy: -31.985
Base-Backbone interact. energy: -0.840
local terms energy: -45.971663
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -7.889
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -75.112224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.112224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.112224 (E_RNA)
where:
Base-Base interactions energy: -28.688
where: short stacking energy: -28.486
Base-Backbone interact. energy: -0.542
local terms energy: -45.882673
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -8.317
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -185.354363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.354363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.354363 (E_RNA)
where:
Base-Base interactions energy: -114.408
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.118
local terms energy: -70.828812
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -14.147
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: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -185.848645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.848645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.848645 (E_RNA)
where:
Base-Base interactions energy: -115.931
where: short stacking energy: -67.345
Base-Backbone interact. energy: -0.025
local terms energy: -69.891845
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -7.151
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: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -159.614020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.614020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.614020 (E_RNA)
where:
Base-Base interactions energy: -92.432
where: short stacking energy: -57.696
Base-Backbone interact. energy: 0.445
local terms energy: -67.626290
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -11.985
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: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -183.405692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.405692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.405692 (E_RNA)
where:
Base-Base interactions energy: -112.341
where: short stacking energy: -64.216
Base-Backbone interact. energy: -0.030
local terms energy: -71.035040
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -180.838775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.838775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.838775 (E_RNA)
where:
Base-Base interactions energy: -117.082
where: short stacking energy: -66.086
Base-Backbone interact. energy: -0.001
local terms energy: -63.755156
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -11.258
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: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -100.069691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.069691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.069691 (E_RNA)
where:
Base-Base interactions energy: -44.419
where: short stacking energy: -36.179
Base-Backbone interact. energy: -0.057
local terms energy: -55.593502
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -96.792215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.792215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.792215 (E_RNA)
where:
Base-Base interactions energy: -44.346
where: short stacking energy: -43.678
Base-Backbone interact. energy: -0.136
local terms energy: -52.310148
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -87.315456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.315456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.315456 (E_RNA)
where:
Base-Base interactions energy: -38.647
where: short stacking energy: -35.771
Base-Backbone interact. energy: 1.034
local terms energy: -49.702392
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -84.539641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.539641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.539641 (E_RNA)
where:
Base-Base interactions energy: -37.578
where: short stacking energy: -35.978
Base-Backbone interact. energy: -0.865
local terms energy: -46.095942
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -2.242
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -81.714890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.714890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.714890 (E_RNA)
where:
Base-Base interactions energy: -37.779
where: short stacking energy: -32.119
Base-Backbone interact. energy: -0.120
local terms energy: -43.816491
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -5.929
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -185.488808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.488808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.488808 (E_RNA)
where:
Base-Base interactions energy: -109.565
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.097
local terms energy: -75.827677
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -13.643
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: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -181.330701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.330701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.330701 (E_RNA)
where:
Base-Base interactions energy: -114.971
where: short stacking energy: -60.012
Base-Backbone interact. energy: -0.414
local terms energy: -65.945968
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -169.664938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.664938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.664938 (E_RNA)
where:
Base-Base interactions energy: -94.661
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.009
local terms energy: -74.994881
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -11.331
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: 41
Temperature: 1.050000
Total energy: -183.770317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.770317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.770317 (E_RNA)
where:
Base-Base interactions energy: -116.345
where: short stacking energy: -52.175
Base-Backbone interact. energy: -0.515
local terms energy: -66.910397
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -154.066782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.066782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.066782 (E_RNA)
where:
Base-Base interactions energy: -90.226
where: short stacking energy: -54.833
Base-Backbone interact. energy: -0.024
local terms energy: -63.817382
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -91.656868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.656868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.656868 (E_RNA)
where:
Base-Base interactions energy: -34.127
where: short stacking energy: -31.682
Base-Backbone interact. energy: -0.204
local terms energy: -57.326144
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -96.280437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.280437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.280437 (E_RNA)
where:
Base-Base interactions energy: -35.841
where: short stacking energy: -20.470
Base-Backbone interact. energy: -0.479
local terms energy: -59.960958
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: 0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -89.372906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.372906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.372906 (E_RNA)
where:
Base-Base interactions energy: -40.108
where: short stacking energy: -37.754
Base-Backbone interact. energy: -0.057
local terms energy: -49.208349
where:
bonds (distance) C4'-P energy: -7.651
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -84.454392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.454392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.454392 (E_RNA)
where:
Base-Base interactions energy: -30.970
where: short stacking energy: -19.732
Base-Backbone interact. energy: -0.219
local terms energy: -53.265841
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -81.395022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.395022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.395022 (E_RNA)
where:
Base-Base interactions energy: -25.101
where: short stacking energy: -24.310
Base-Backbone interact. energy: -0.007
local terms energy: -56.286868
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -6.171
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: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -197.845758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.845758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.845758 (E_RNA)
where:
Base-Base interactions energy: -122.066
where: short stacking energy: -63.037
Base-Backbone interact. energy: -0.248
local terms energy: -75.531868
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -11.435
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: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -189.594084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.594084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.594084 (E_RNA)
where:
Base-Base interactions energy: -113.966
where: short stacking energy: -63.833
Base-Backbone interact. energy: -0.184
local terms energy: -75.444343
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -10.530
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: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -181.926447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.926447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.926447 (E_RNA)
where:
Base-Base interactions energy: -119.123
where: short stacking energy: -53.033
Base-Backbone interact. energy: -0.002
local terms energy: -62.802072
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -184.054405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.054405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.054405 (E_RNA)
where:
Base-Base interactions energy: -119.438
where: short stacking energy: -61.871
Base-Backbone interact. energy: -0.004
local terms energy: -64.612698
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -16.832
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: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -161.209077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.209077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.209077 (E_RNA)
where:
Base-Base interactions energy: -93.730
where: short stacking energy: -62.169
Base-Backbone interact. energy: -0.036
local terms energy: -67.442815
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -100.140798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.140798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.140798 (E_RNA)
where:
Base-Base interactions energy: -38.133
where: short stacking energy: -28.649
Base-Backbone interact. energy: -0.115
local terms energy: -61.893495
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -108.182590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.182590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.182590 (E_RNA)
where:
Base-Base interactions energy: -51.787
where: short stacking energy: -35.794
Base-Backbone interact. energy: 1.088
local terms energy: -57.483522
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -79.528007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.528007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.528007 (E_RNA)
where:
Base-Base interactions energy: -29.956
where: short stacking energy: -29.522
Base-Backbone interact. energy: -0.174
local terms energy: -49.398318
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -76.630240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.630240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.630240 (E_RNA)
where:
Base-Base interactions energy: -34.349
where: short stacking energy: -28.034
Base-Backbone interact. energy: -0.173
local terms energy: -42.107668
where:
bonds (distance) C4'-P energy: -6.912
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -86.706253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.706253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.706253 (E_RNA)
where:
Base-Base interactions energy: -44.400
where: short stacking energy: -40.383
Base-Backbone interact. energy: -0.367
local terms energy: -41.939257
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -6.970
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: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -187.842356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.842356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.842356 (E_RNA)
where:
Base-Base interactions energy: -117.827
where: short stacking energy: -53.997
Base-Backbone interact. energy: -0.984
local terms energy: -69.031196
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -175.976936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.976936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.976936 (E_RNA)
where:
Base-Base interactions energy: -105.735
where: short stacking energy: -46.809
Base-Backbone interact. energy: -0.485
local terms energy: -69.756933
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -169.525086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.525086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.525086 (E_RNA)
where:
Base-Base interactions energy: -105.337
where: short stacking energy: -51.689
Base-Backbone interact. energy: -0.191
local terms energy: -63.997409
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -7.733
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: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -164.294220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.294220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.294220 (E_RNA)
where:
Base-Base interactions energy: -106.646
where: short stacking energy: -56.412
Base-Backbone interact. energy: -1.237
local terms energy: -56.411286
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -184.662910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.662910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.662910 (E_RNA)
where:
Base-Base interactions energy: -121.212
where: short stacking energy: -61.378
Base-Backbone interact. energy: -0.001
local terms energy: -63.449927
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -7.407
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -159.928410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.928410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.928410 (E_RNA)
where:
Base-Base interactions energy: -100.216
where: short stacking energy: -59.916
Base-Backbone interact. energy: -0.607
local terms energy: -59.105125
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -93.539098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.539098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.539098 (E_RNA)
where:
Base-Base interactions energy: -34.751
where: short stacking energy: -33.362
Base-Backbone interact. energy: -0.044
local terms energy: -58.744579
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -93.773682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.773682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.773682 (E_RNA)
where:
Base-Base interactions energy: -37.475
where: short stacking energy: -32.569
Base-Backbone interact. energy: 1.970
local terms energy: -58.268574
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -96.760665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.760665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.760665 (E_RNA)
where:
Base-Base interactions energy: -36.784
where: short stacking energy: -35.199
Base-Backbone interact. energy: -0.012
local terms energy: -59.964250
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -12.721
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: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -83.326535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.326535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.326535 (E_RNA)
where:
Base-Base interactions energy: -33.015
where: short stacking energy: -21.392
Base-Backbone interact. energy: -0.681
local terms energy: -49.630394
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -196.884075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.884075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.884075 (E_RNA)
where:
Base-Base interactions energy: -124.544
where: short stacking energy: -61.036
Base-Backbone interact. energy: 0.917
local terms energy: -73.257344
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -181.209433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.209433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.209433 (E_RNA)
where:
Base-Base interactions energy: -118.878
where: short stacking energy: -62.121
Base-Backbone interact. energy: -0.093
local terms energy: -62.237714
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -9.937
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: 44
Temperature: 1.000000
Total energy: -175.698313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.698313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.698313 (E_RNA)
where:
Base-Base interactions energy: -106.926
where: short stacking energy: -52.227
Base-Backbone interact. energy: -0.399
local terms energy: -68.373529
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -10.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -173.105371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.105371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.105371 (E_RNA)
where:
Base-Base interactions energy: -108.903
where: short stacking energy: -56.491
Base-Backbone interact. energy: -0.251
local terms energy: -63.951404
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -12.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -142.715150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.715150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.715150 (E_RNA)
where:
Base-Base interactions energy: -73.471
where: short stacking energy: -42.642
Base-Backbone interact. energy: -0.002
local terms energy: -69.242565
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -164.702572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.702572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.702572 (E_RNA)
where:
Base-Base interactions energy: -98.294
where: short stacking energy: -57.025
Base-Backbone interact. energy: -0.101
local terms energy: -66.306989
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -91.920013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.920013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.920013 (E_RNA)
where:
Base-Base interactions energy: -39.502
where: short stacking energy: -37.714
Base-Backbone interact. energy: -0.316
local terms energy: -52.101252
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -98.571049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.571049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.571049 (E_RNA)
where:
Base-Base interactions energy: -41.421
where: short stacking energy: -31.541
Base-Backbone interact. energy: -0.745
local terms energy: -56.404974
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -80.887190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.887190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.887190 (E_RNA)
where:
Base-Base interactions energy: -28.362
where: short stacking energy: -22.639
Base-Backbone interact. energy: -0.260
local terms energy: -52.264808
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -81.819502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.819502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.819502 (E_RNA)
where:
Base-Base interactions energy: -34.519
where: short stacking energy: -17.910
Base-Backbone interact. energy: -0.410
local terms energy: -46.890638
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -7.986
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -11.106
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: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -200.540726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.540726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.540726 (E_RNA)
where:
Base-Base interactions energy: -131.166
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.346
local terms energy: -69.028889
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -186.576457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.576457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.576457 (E_RNA)
where:
Base-Base interactions energy: -113.195
where: short stacking energy: -65.883
Base-Backbone interact. energy: -0.001
local terms energy: -73.380132
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -174.853392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.853392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.853392 (E_RNA)
where:
Base-Base interactions energy: -104.144
where: short stacking energy: -58.316
Base-Backbone interact. energy: -0.364
local terms energy: -70.344881
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -173.656188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.656188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.656188 (E_RNA)
where:
Base-Base interactions energy: -118.286
where: short stacking energy: -62.767
Base-Backbone interact. energy: -1.345
local terms energy: -54.024705
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -9.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -152.511550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.511550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.511550 (E_RNA)
where:
Base-Base interactions energy: -90.726
where: short stacking energy: -48.506
Base-Backbone interact. energy: -0.026
local terms energy: -61.759260
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -6.928
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: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -115.088449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.088449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.088449 (E_RNA)
where:
Base-Base interactions energy: -53.737
where: short stacking energy: -44.468
Base-Backbone interact. energy: 0.423
local terms energy: -61.774451
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -11.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -96.534858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.534858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.534858 (E_RNA)
where:
Base-Base interactions energy: -46.138
where: short stacking energy: -27.405
Base-Backbone interact. energy: -0.067
local terms energy: -50.329741
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -81.138170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.138170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.138170 (E_RNA)
where:
Base-Base interactions energy: -38.940
where: short stacking energy: -22.860
Base-Backbone interact. energy: -0.382
local terms energy: -41.816457
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: 2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -83.202839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.202839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.202839 (E_RNA)
where:
Base-Base interactions energy: -31.607
where: short stacking energy: -26.127
Base-Backbone interact. energy: -0.752
local terms energy: -50.843973
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -11.218
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: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -78.522149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.522149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.522149 (E_RNA)
where:
Base-Base interactions energy: -27.809
where: short stacking energy: -27.809
Base-Backbone interact. energy: -0.222
local terms energy: -50.491461
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -5.413
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: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -198.866102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.866102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.866102 (E_RNA)
where:
Base-Base interactions energy: -129.183
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.399
local terms energy: -69.283242
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -15.904
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: 46
Temperature: 0.950000
Total energy: -178.851984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.851984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.851984 (E_RNA)
where:
Base-Base interactions energy: -109.447
where: short stacking energy: -59.645
Base-Backbone interact. energy: -0.015
local terms energy: -69.389934
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -175.038226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.038226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.038226 (E_RNA)
where:
Base-Base interactions energy: -107.890
where: short stacking energy: -58.733
Base-Backbone interact. energy: -0.019
local terms energy: -67.129189
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -7.119
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: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -172.480752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.480752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.480752 (E_RNA)
where:
Base-Base interactions energy: -98.723
where: short stacking energy: -57.088
Base-Backbone interact. energy: 0.148
local terms energy: -73.905131
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -19.870
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: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -162.039758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.039758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.039758 (E_RNA)
where:
Base-Base interactions energy: -95.803
where: short stacking energy: -57.044
Base-Backbone interact. energy: -1.210
local terms energy: -65.026864
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -10.279
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: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -108.465148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.465148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.465148 (E_RNA)
where:
Base-Base interactions energy: -45.112
where: short stacking energy: -41.235
Base-Backbone interact. energy: -0.784
local terms energy: -62.569231
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -8.404
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: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -104.292506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.292506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.292506 (E_RNA)
where:
Base-Base interactions energy: -56.900
where: short stacking energy: -34.385
Base-Backbone interact. energy: -0.342
local terms energy: -47.050114
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -8.922
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: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -92.747283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.747283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.747283 (E_RNA)
where:
Base-Base interactions energy: -29.500
where: short stacking energy: -27.036
Base-Backbone interact. energy: -0.106
local terms energy: -63.141125
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -9.485
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: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -78.534105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.534105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.534105 (E_RNA)
where:
Base-Base interactions energy: -28.092
where: short stacking energy: -27.057
Base-Backbone interact. energy: -0.094
local terms energy: -50.348285
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -80.169810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.169810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.169810 (E_RNA)
where:
Base-Base interactions energy: -38.276
where: short stacking energy: -34.699
Base-Backbone interact. energy: -0.071
local terms energy: -41.822967
where:
bonds (distance) C4'-P energy: -4.830
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -3.920
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: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -202.321019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.321019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.321019 (E_RNA)
where:
Base-Base interactions energy: -136.601
where: short stacking energy: -55.609
Base-Backbone interact. energy: -0.562
local terms energy: -65.158251
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -12.661
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: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -180.809026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.809026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.809026 (E_RNA)
where:
Base-Base interactions energy: -111.568
where: short stacking energy: -71.384
Base-Backbone interact. energy: -0.002
local terms energy: -69.238505
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -164.045429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.045429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.045429 (E_RNA)
where:
Base-Base interactions energy: -96.953
where: short stacking energy: -54.182
Base-Backbone interact. energy: -0.213
local terms energy: -66.879560
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -12.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -164.970218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.970218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.970218 (E_RNA)
where:
Base-Base interactions energy: -99.471
where: short stacking energy: -55.748
Base-Backbone interact. energy: 0.599
local terms energy: -66.098687
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -155.829119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.829119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.829119 (E_RNA)
where:
Base-Base interactions energy: -92.235
where: short stacking energy: -53.430
Base-Backbone interact. energy: -0.010
local terms energy: -63.584218
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -8.060
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: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -124.647623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.647623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.647623 (E_RNA)
where:
Base-Base interactions energy: -64.590
where: short stacking energy: -40.615
Base-Backbone interact. energy: -2.038
local terms energy: -58.019845
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -9.453
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: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -91.911040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.911040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.911040 (E_RNA)
where:
Base-Base interactions energy: -34.332
where: short stacking energy: -22.468
Base-Backbone interact. energy: -0.187
local terms energy: -57.391503
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -108.971365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.971365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.971365 (E_RNA)
where:
Base-Base interactions energy: -58.695
where: short stacking energy: -33.212
Base-Backbone interact. energy: -0.112
local terms energy: -50.164234
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -80.989593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.989593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.989593 (E_RNA)
where:
Base-Base interactions energy: -34.339
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.001
local terms energy: -46.649567
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -89.470265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.470265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.470265 (E_RNA)
where:
Base-Base interactions energy: -38.229
where: short stacking energy: -34.046
Base-Backbone interact. energy: -0.457
local terms energy: -50.784882
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -183.526241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.526241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.526241 (E_RNA)
where:
Base-Base interactions energy: -111.111
where: short stacking energy: -64.687
Base-Backbone interact. energy: 0.024
local terms energy: -72.438952
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -191.377791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.377791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.377791 (E_RNA)
where:
Base-Base interactions energy: -124.531
where: short stacking energy: -55.301
Base-Backbone interact. energy: -0.027
local terms energy: -66.819890
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -12.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -171.024048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.024048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.024048 (E_RNA)
where:
Base-Base interactions energy: -104.579
where: short stacking energy: -55.656
Base-Backbone interact. energy: -0.933
local terms energy: -65.512161
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -145.151818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.151818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.151818 (E_RNA)
where:
Base-Base interactions energy: -85.951
where: short stacking energy: -38.123
Base-Backbone interact. energy: -1.981
local terms energy: -57.220615
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -8.941
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: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -167.221464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.221464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.221464 (E_RNA)
where:
Base-Base interactions energy: -106.855
where: short stacking energy: -47.047
Base-Backbone interact. energy: -0.294
local terms energy: -60.071544
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -122.020033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.020033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.020033 (E_RNA)
where:
Base-Base interactions energy: -64.422
where: short stacking energy: -36.269
Base-Backbone interact. energy: -0.520
local terms energy: -57.078537
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -93.801896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.801896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.801896 (E_RNA)
where:
Base-Base interactions energy: -45.383
where: short stacking energy: -26.152
Base-Backbone interact. energy: -0.108
local terms energy: -48.310840
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -2.577
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -97.890096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.890096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.890096 (E_RNA)
where:
Base-Base interactions energy: -41.443
where: short stacking energy: -25.314
Base-Backbone interact. energy: -0.237
local terms energy: -56.210207
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: 0.658
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: 48
Temperature: 1.300000
Total energy: -76.068221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.068221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.068221 (E_RNA)
where:
Base-Base interactions energy: -39.620
where: short stacking energy: -19.486
Base-Backbone interact. energy: -0.267
local terms energy: -36.181758
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -6.547
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: 3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -73.459884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.459884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.459884 (E_RNA)
where:
Base-Base interactions energy: -22.600
where: short stacking energy: -21.777
Base-Backbone interact. energy: -0.210
local terms energy: -50.649855
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: 1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -195.476887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.476887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.476887 (E_RNA)
where:
Base-Base interactions energy: -120.289
where: short stacking energy: -76.612
Base-Backbone interact. energy: -0.022
local terms energy: -75.165235
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -167.974868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.974868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.974868 (E_RNA)
where:
Base-Base interactions energy: -100.281
where: short stacking energy: -57.396
Base-Backbone interact. energy: -0.096
local terms energy: -67.597197
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -12.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -181.083928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.083928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.083928 (E_RNA)
where:
Base-Base interactions energy: -134.730
where: short stacking energy: -56.122
Base-Backbone interact. energy: -0.699
local terms energy: -45.654921
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -5.734
flat angles P-C4'-P energy: -2.546
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -168.559134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.559134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.559134 (E_RNA)
where:
Base-Base interactions energy: -103.798
where: short stacking energy: -55.249
Base-Backbone interact. energy: -0.229
local terms energy: -64.532032
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -132.752836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.752836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.752836 (E_RNA)
where:
Base-Base interactions energy: -74.842
where: short stacking energy: -50.328
Base-Backbone interact. energy: -0.018
local terms energy: -57.893256
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -11.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -102.779234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.779234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.779234 (E_RNA)
where:
Base-Base interactions energy: -45.529
where: short stacking energy: -41.140
Base-Backbone interact. energy: -0.026
local terms energy: -57.224246
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -98.324794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.324794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.324794 (E_RNA)
where:
Base-Base interactions energy: -52.122
where: short stacking energy: -32.287
Base-Backbone interact. energy: -0.127
local terms energy: -46.076632
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -108.612305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.612305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.612305 (E_RNA)
where:
Base-Base interactions energy: -55.013
where: short stacking energy: -35.158
Base-Backbone interact. energy: -0.132
local terms energy: -53.466929
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -79.851616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.851616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.851616 (E_RNA)
where:
Base-Base interactions energy: -32.664
where: short stacking energy: -32.664
Base-Backbone interact. energy: -0.044
local terms energy: -47.142998
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -90.607884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.607884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.607884 (E_RNA)
where:
Base-Base interactions energy: -38.464
where: short stacking energy: -36.876
Base-Backbone interact. energy: -0.121
local terms energy: -52.023243
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -196.853030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.853030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.853030 (E_RNA)
where:
Base-Base interactions energy: -124.327
where: short stacking energy: -73.925
Base-Backbone interact. energy: -0.016
local terms energy: -72.509672
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -166.700937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.700937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.700937 (E_RNA)
where:
Base-Base interactions energy: -100.208
where: short stacking energy: -48.193
Base-Backbone interact. energy: -0.081
local terms energy: -66.412528
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -195.803884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.803884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.803884 (E_RNA)
where:
Base-Base interactions energy: -130.868
where: short stacking energy: -51.322
Base-Backbone interact. energy: -0.013
local terms energy: -64.923180
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -166.000553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.000553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.000553 (E_RNA)
where:
Base-Base interactions energy: -109.234
where: short stacking energy: -27.535
Base-Backbone interact. energy: -0.066
local terms energy: -56.700227
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -144.928814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.928814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.928814 (E_RNA)
where:
Base-Base interactions energy: -80.077
where: short stacking energy: -44.430
Base-Backbone interact. energy: -0.200
local terms energy: -64.651354
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -99.244643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.244643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.244643 (E_RNA)
where:
Base-Base interactions energy: -47.751
where: short stacking energy: -42.328
Base-Backbone interact. energy: -0.092
local terms energy: -51.401421
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -105.455516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.455516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.455516 (E_RNA)
where:
Base-Base interactions energy: -40.163
where: short stacking energy: -29.596
Base-Backbone interact. energy: -0.206
local terms energy: -65.086187
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -12.361
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: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -90.571792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.571792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.571792 (E_RNA)
where:
Base-Base interactions energy: -38.706
where: short stacking energy: -38.242
Base-Backbone interact. energy: -0.103
local terms energy: -51.763069
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -6.112
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: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -83.247300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.247300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.247300 (E_RNA)
where:
Base-Base interactions energy: -30.258
where: short stacking energy: -28.986
Base-Backbone interact. energy: 0.536
local terms energy: -53.525564
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -4.335
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: 50
Temperature: 1.350000
Total energy: -91.670337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.670337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.670337 (E_RNA)
where:
Base-Base interactions energy: -37.316
where: short stacking energy: -37.316
Base-Backbone interact. energy: -0.081
local terms energy: -54.272983
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -9.126
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: 51
Temperature: 0.900000
Total energy: -195.138160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.138160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.138160 (E_RNA)
where:
Base-Base interactions energy: -124.597
where: short stacking energy: -74.322
Base-Backbone interact. energy: -0.185
local terms energy: -70.356762
where:
bonds (distance) C4'-P energy: -7.552
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -19.891
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: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -203.001583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.001583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.001583 (E_RNA)
where:
Base-Base interactions energy: -135.398
where: short stacking energy: -58.716
Base-Backbone interact. energy: -0.010
local terms energy: -67.593610
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -168.899153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.899153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.899153 (E_RNA)
where:
Base-Base interactions energy: -99.844
where: short stacking energy: -51.024
Base-Backbone interact. energy: 0.882
local terms energy: -69.936863
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -163.236680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.236680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.236680 (E_RNA)
where:
Base-Base interactions energy: -113.781
where: short stacking energy: -32.810
Base-Backbone interact. energy: -0.213
local terms energy: -49.242757
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -167.043800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.043800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.043800 (E_RNA)
where:
Base-Base interactions energy: -103.148
where: short stacking energy: -52.956
Base-Backbone interact. energy: -0.172
local terms energy: -63.724032
where:
bonds (distance) C4'-P energy: -6.548
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -101.163855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.163855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.163855 (E_RNA)
where:
Base-Base interactions energy: -47.054
where: short stacking energy: -43.941
Base-Backbone interact. energy: -0.556
local terms energy: -53.553958
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -94.528315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.528315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.528315 (E_RNA)
where:
Base-Base interactions energy: -42.423
where: short stacking energy: -31.629
Base-Backbone interact. energy: -0.229
local terms energy: -51.876257
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -84.675176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.675176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.675176 (E_RNA)
where:
Base-Base interactions energy: -41.314
where: short stacking energy: -25.562
Base-Backbone interact. energy: -0.154
local terms energy: -43.206495
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -80.400718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.400718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.400718 (E_RNA)
where:
Base-Base interactions energy: -34.848
where: short stacking energy: -27.335
Base-Backbone interact. energy: -0.832
local terms energy: -44.720616
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: 0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -73.162658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.162658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.162658 (E_RNA)
where:
Base-Base interactions energy: -32.629
where: short stacking energy: -32.629
Base-Backbone interact. energy: -0.384
local terms energy: -40.149057
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -210.144016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.144016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.144016 (E_RNA)
where:
Base-Base interactions energy: -139.330
where: short stacking energy: -58.953
Base-Backbone interact. energy: -0.063
local terms energy: -70.750953
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -15.544
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: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -183.506256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.506256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.506256 (E_RNA)
where:
Base-Base interactions energy: -113.609
where: short stacking energy: -66.581
Base-Backbone interact. energy: -0.001
local terms energy: -69.897200
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -9.722
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: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -173.935249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.935249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.935249 (E_RNA)
where:
Base-Base interactions energy: -107.448
where: short stacking energy: -53.110
Base-Backbone interact. energy: -0.291
local terms energy: -66.196399
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -11.972
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: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -138.846034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.846034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.846034 (E_RNA)
where:
Base-Base interactions energy: -80.389
where: short stacking energy: -51.124
Base-Backbone interact. energy: -0.020
local terms energy: -58.437565
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -160.561302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.561302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.561302 (E_RNA)
where:
Base-Base interactions energy: -92.851
where: short stacking energy: -52.903
Base-Backbone interact. energy: -0.156
local terms energy: -67.554332
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -11.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -105.869022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.869022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.869022 (E_RNA)
where:
Base-Base interactions energy: -51.321
where: short stacking energy: -49.464
Base-Backbone interact. energy: -0.030
local terms energy: -54.518895
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -10.461
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: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -140.595426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.595426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.595426 (E_RNA)
where:
Base-Base interactions energy: -78.707
where: short stacking energy: -48.189
Base-Backbone interact. energy: -0.257
local terms energy: -61.631351
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -86.915823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.915823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.915823 (E_RNA)
where:
Base-Base interactions energy: -35.473
where: short stacking energy: -29.778
Base-Backbone interact. energy: -0.309
local terms energy: -51.134246
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -74.781067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.781067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.781067 (E_RNA)
where:
Base-Base interactions energy: -24.558
where: short stacking energy: -19.680
Base-Backbone interact. energy: 1.138
local terms energy: -51.361767
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -81.657387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.657387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.657387 (E_RNA)
where:
Base-Base interactions energy: -36.644
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.140
local terms energy: -44.872837
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -6.265
flat angles P-C4'-P energy: -10.166
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: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -221.048560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.048560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.048560 (E_RNA)
where:
Base-Base interactions energy: -145.893
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.037
local terms energy: -75.118192
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -193.542104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.542104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.542104 (E_RNA)
where:
Base-Base interactions energy: -120.490
where: short stacking energy: -60.190
Base-Backbone interact. energy: 0.088
local terms energy: -73.139922
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -171.438370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.438370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.438370 (E_RNA)
where:
Base-Base interactions energy: -103.582
where: short stacking energy: -62.230
Base-Backbone interact. energy: -0.834
local terms energy: -67.021882
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -169.282793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.282793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.282793 (E_RNA)
where:
Base-Base interactions energy: -103.153
where: short stacking energy: -53.828
Base-Backbone interact. energy: -0.011
local terms energy: -66.119084
where:
bonds (distance) C4'-P energy: -9.049
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -18.725
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: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -102.572703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.572703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.572703 (E_RNA)
where:
Base-Base interactions energy: -50.622
where: short stacking energy: -36.523
Base-Backbone interact. energy: -0.182
local terms energy: -51.768650
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -154.922710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.922710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.922710 (E_RNA)
where:
Base-Base interactions energy: -87.003
where: short stacking energy: -40.755
Base-Backbone interact. energy: -0.023
local terms energy: -67.896640
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -79.181980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.181980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.181980 (E_RNA)
where:
Base-Base interactions energy: -30.433
where: short stacking energy: -24.048
Base-Backbone interact. energy: -0.152
local terms energy: -48.596551
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -7.229
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: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -82.957423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.957423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.957423 (E_RNA)
where:
Base-Base interactions energy: -28.934
where: short stacking energy: -28.934
Base-Backbone interact. energy: -0.111
local terms energy: -53.912226
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -80.100916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.100916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.100916 (E_RNA)
where:
Base-Base interactions energy: -26.525
where: short stacking energy: -26.525
Base-Backbone interact. energy: -0.406
local terms energy: -53.169380
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: 2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -79.372283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.372283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.372283 (E_RNA)
where:
Base-Base interactions energy: -38.786
where: short stacking energy: -23.477
Base-Backbone interact. energy: -0.300
local terms energy: -40.286672
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: 1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -202.443431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.443431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.443431 (E_RNA)
where:
Base-Base interactions energy: -134.876
where: short stacking energy: -61.063
Base-Backbone interact. energy: -0.057
local terms energy: -67.510220
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -9.165
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: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -202.088865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.088865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.088865 (E_RNA)
where:
Base-Base interactions energy: -137.078
where: short stacking energy: -48.053
Base-Backbone interact. energy: -1.101
local terms energy: -63.909823
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -174.932976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.932976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.932976 (E_RNA)
where:
Base-Base interactions energy: -113.000
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.083
local terms energy: -61.849830
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -169.339335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.339335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.339335 (E_RNA)
where:
Base-Base interactions energy: -99.709
where: short stacking energy: -53.937
Base-Backbone interact. energy: -0.100
local terms energy: -69.530942
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -155.189177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.189177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.189177 (E_RNA)
where:
Base-Base interactions energy: -77.272
where: short stacking energy: -47.029
Base-Backbone interact. energy: -0.056
local terms energy: -77.860380
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -13.014
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: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -109.376170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.376170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.376170 (E_RNA)
where:
Base-Base interactions energy: -51.470
where: short stacking energy: -44.878
Base-Backbone interact. energy: -0.001
local terms energy: -57.904838
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -8.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -96.644630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.644630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.644630 (E_RNA)
where:
Base-Base interactions energy: -36.834
where: short stacking energy: -33.989
Base-Backbone interact. energy: -0.112
local terms energy: -59.698663
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -88.359909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.359909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.359909 (E_RNA)
where:
Base-Base interactions energy: -38.222
where: short stacking energy: -30.655
Base-Backbone interact. energy: -0.207
local terms energy: -49.930206
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -79.021538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.021538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.021538 (E_RNA)
where:
Base-Base interactions energy: -44.360
where: short stacking energy: -35.364
Base-Backbone interact. energy: 0.505
local terms energy: -35.166989
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: 0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -80.612772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.612772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.612772 (E_RNA)
where:
Base-Base interactions energy: -32.738
where: short stacking energy: -20.319
Base-Backbone interact. energy: -0.619
local terms energy: -47.255910
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: 2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -206.325887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.325887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.325887 (E_RNA)
where:
Base-Base interactions energy: -137.156
where: short stacking energy: -52.572
Base-Backbone interact. energy: -0.220
local terms energy: -68.949773
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -201.406932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.406932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.406932 (E_RNA)
where:
Base-Base interactions energy: -131.814
where: short stacking energy: -64.817
Base-Backbone interact. energy: -0.442
local terms energy: -69.151114
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -13.210
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: 55
Temperature: 1.000000
Total energy: -174.902463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.902463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.902463 (E_RNA)
where:
Base-Base interactions energy: -103.329
where: short stacking energy: -57.816
Base-Backbone interact. energy: -0.066
local terms energy: -71.507843
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -10.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -152.450331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.450331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.450331 (E_RNA)
where:
Base-Base interactions energy: -79.092
where: short stacking energy: -43.642
Base-Backbone interact. energy: -0.257
local terms energy: -73.101369
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -11.297
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: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -153.226574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.226574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.226574 (E_RNA)
where:
Base-Base interactions energy: -91.854
where: short stacking energy: -46.467
Base-Backbone interact. energy: -0.313
local terms energy: -61.059547
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -106.272674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.272674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.272674 (E_RNA)
where:
Base-Base interactions energy: -61.252
where: short stacking energy: -50.630
Base-Backbone interact. energy: -0.165
local terms energy: -44.856411
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -2.620
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -92.750806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.750806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.750806 (E_RNA)
where:
Base-Base interactions energy: -46.256
where: short stacking energy: -41.115
Base-Backbone interact. energy: 1.625
local terms energy: -48.119996
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -95.389302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.389302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.389302 (E_RNA)
where:
Base-Base interactions energy: -40.906
where: short stacking energy: -37.004
Base-Backbone interact. energy: -0.081
local terms energy: -54.402396
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -10.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -87.652388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.652388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.652388 (E_RNA)
where:
Base-Base interactions energy: -44.119
where: short stacking energy: -38.207
Base-Backbone interact. energy: -0.620
local terms energy: -42.913095
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -6.022
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -73.999077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.999077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.999077 (E_RNA)
where:
Base-Base interactions energy: -29.914
where: short stacking energy: -27.914
Base-Backbone interact. energy: -0.327
local terms energy: -43.758504
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -2.970
flat angles P-C4'-P energy: -8.647
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: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -210.358206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.358206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.358206 (E_RNA)
where:
Base-Base interactions energy: -144.340
where: short stacking energy: -59.866
Base-Backbone interact. energy: -0.074
local terms energy: -65.943817
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -9.757
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: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -195.997099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.997099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.997099 (E_RNA)
where:
Base-Base interactions energy: -127.242
where: short stacking energy: -52.147
Base-Backbone interact. energy: -0.022
local terms energy: -68.732671
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -160.763051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.763051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.763051 (E_RNA)
where:
Base-Base interactions energy: -91.224
where: short stacking energy: -52.230
Base-Backbone interact. energy: 1.936
local terms energy: -71.474913
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -172.973871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.973871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.973871 (E_RNA)
where:
Base-Base interactions energy: -100.463
where: short stacking energy: -58.323
Base-Backbone interact. energy: -0.333
local terms energy: -72.178649
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -154.056142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.056142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.056142 (E_RNA)
where:
Base-Base interactions energy: -93.623
where: short stacking energy: -52.591
Base-Backbone interact. energy: -0.137
local terms energy: -60.295885
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -8.340
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -10.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -113.071634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.071634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.071634 (E_RNA)
where:
Base-Base interactions energy: -58.056
where: short stacking energy: -38.540
Base-Backbone interact. energy: -0.003
local terms energy: -55.013480
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -96.562155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.562155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.562155 (E_RNA)
where:
Base-Base interactions energy: -36.274
where: short stacking energy: -22.978
Base-Backbone interact. energy: 0.856
local terms energy: -61.144625
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -9.113
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: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -99.603238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.603238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.603238 (E_RNA)
where:
Base-Base interactions energy: -52.505
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.245
local terms energy: -46.853849
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -2.543
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: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -94.789421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.789421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.789421 (E_RNA)
where:
Base-Base interactions energy: -43.625
where: short stacking energy: -33.506
Base-Backbone interact. energy: -0.353
local terms energy: -50.811725
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -5.531
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: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -77.751669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.751669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.751669 (E_RNA)
where:
Base-Base interactions energy: -37.480
where: short stacking energy: -17.417
Base-Backbone interact. energy: 0.277
local terms energy: -40.548480
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -4.561
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -1.508
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: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -204.823610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.823610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.823610 (E_RNA)
where:
Base-Base interactions energy: -135.638
where: short stacking energy: -59.097
Base-Backbone interact. energy: 0.248
local terms energy: -69.433130
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -191.663279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.663279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.663279 (E_RNA)
where:
Base-Base interactions energy: -117.389
where: short stacking energy: -53.983
Base-Backbone interact. energy: -0.007
local terms energy: -74.267599
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -177.671832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.671832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.671832 (E_RNA)
where:
Base-Base interactions energy: -109.048
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.024
local terms energy: -68.600008
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -198.632678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.632678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.632678 (E_RNA)
where:
Base-Base interactions energy: -129.673
where: short stacking energy: -74.117
Base-Backbone interact. energy: -0.001
local terms energy: -68.958923
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -11.561
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: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -152.677968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.677968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.677968 (E_RNA)
where:
Base-Base interactions energy: -83.642
where: short stacking energy: -51.778
Base-Backbone interact. energy: -0.001
local terms energy: -69.034670
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.162
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: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -109.883469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.883469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.883469 (E_RNA)
where:
Base-Base interactions energy: -55.040
where: short stacking energy: -40.109
Base-Backbone interact. energy: 0.674
local terms energy: -55.517690
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -5.432
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: 57
Temperature: 1.200000
Total energy: -87.715971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.715971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.715971 (E_RNA)
where:
Base-Base interactions energy: -31.991
where: short stacking energy: -27.705
Base-Backbone interact. energy: -0.477
local terms energy: -55.248329
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: 0.377
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: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -96.059479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.059479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.059479 (E_RNA)
where:
Base-Base interactions energy: -50.070
where: short stacking energy: -36.597
Base-Backbone interact. energy: -0.008
local terms energy: -45.982099
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -10.663
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: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -84.272045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.272045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.272045 (E_RNA)
where:
Base-Base interactions energy: -35.298
where: short stacking energy: -29.948
Base-Backbone interact. energy: -0.034
local terms energy: -48.939926
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -89.311370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.311370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.311370 (E_RNA)
where:
Base-Base interactions energy: -39.048
where: short stacking energy: -32.846
Base-Backbone interact. energy: -0.469
local terms energy: -49.794086
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -202.498176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.498176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.498176 (E_RNA)
where:
Base-Base interactions energy: -123.652
where: short stacking energy: -60.215
Base-Backbone interact. energy: -0.855
local terms energy: -77.991195
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -205.570374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.570374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.570374 (E_RNA)
where:
Base-Base interactions energy: -134.314
where: short stacking energy: -63.719
Base-Backbone interact. energy: -0.413
local terms energy: -70.843077
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -196.091547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.091547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.091547 (E_RNA)
where:
Base-Base interactions energy: -120.165
where: short stacking energy: -58.461
Base-Backbone interact. energy: 0.937
local terms energy: -76.863666
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -169.156678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.156678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.156678 (E_RNA)
where:
Base-Base interactions energy: -101.699
where: short stacking energy: -60.003
Base-Backbone interact. energy: -0.396
local terms energy: -67.061652
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -151.869698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.869698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.869698 (E_RNA)
where:
Base-Base interactions energy: -87.857
where: short stacking energy: -53.297
Base-Backbone interact. energy: -0.013
local terms energy: -63.998935
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -100.006091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.006091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.006091 (E_RNA)
where:
Base-Base interactions energy: -43.429
where: short stacking energy: -35.733
Base-Backbone interact. energy: -0.121
local terms energy: -56.455897
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.774
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: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -108.007465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.007465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.007465 (E_RNA)
where:
Base-Base interactions energy: -64.984
where: short stacking energy: -33.373
Base-Backbone interact. energy: -0.000
local terms energy: -43.023117
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -5.988
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: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -83.578350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.578350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.578350 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -34.249
Base-Backbone interact. energy: -0.264
local terms energy: -48.537318
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -3.290
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -84.235878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.235878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.235878 (E_RNA)
where:
Base-Base interactions energy: -31.063
where: short stacking energy: -26.517
Base-Backbone interact. energy: -0.078
local terms energy: -53.094739
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -12.396
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: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -71.497204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.497204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.497204 (E_RNA)
where:
Base-Base interactions energy: -28.276
where: short stacking energy: -28.521
Base-Backbone interact. energy: -0.239
local terms energy: -42.982800
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -4.993
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: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -205.537959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.537959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.537959 (E_RNA)
where:
Base-Base interactions energy: -141.407
where: short stacking energy: -61.655
Base-Backbone interact. energy: -0.054
local terms energy: -64.077081
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -182.623017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.623017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.623017 (E_RNA)
where:
Base-Base interactions energy: -111.967
where: short stacking energy: -64.016
Base-Backbone interact. energy: -0.555
local terms energy: -70.101490
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -193.575499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.575499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.575499 (E_RNA)
where:
Base-Base interactions energy: -122.833
where: short stacking energy: -64.942
Base-Backbone interact. energy: -0.002
local terms energy: -70.741113
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -18.437
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: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -148.568708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.568708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.568708 (E_RNA)
where:
Base-Base interactions energy: -86.917
where: short stacking energy: -52.616
Base-Backbone interact. energy: -0.017
local terms energy: -61.634633
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -11.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -172.144785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.144785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.144785 (E_RNA)
where:
Base-Base interactions energy: -113.212
where: short stacking energy: -54.198
Base-Backbone interact. energy: 1.264
local terms energy: -60.196796
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -90.272934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.272934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.272934 (E_RNA)
where:
Base-Base interactions energy: -40.682
where: short stacking energy: -41.860
Base-Backbone interact. energy: -0.133
local terms energy: -49.457830
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -101.688707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.688707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.688707 (E_RNA)
where:
Base-Base interactions energy: -38.945
where: short stacking energy: -38.945
Base-Backbone interact. energy: -0.057
local terms energy: -62.686404
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -12.084
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: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -91.620315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.620315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.620315 (E_RNA)
where:
Base-Base interactions energy: -40.007
where: short stacking energy: -19.045
Base-Backbone interact. energy: -0.480
local terms energy: -51.132941
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: 0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -79.714006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.714006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.714006 (E_RNA)
where:
Base-Base interactions energy: -26.353
where: short stacking energy: -23.055
Base-Backbone interact. energy: -0.418
local terms energy: -52.942761
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -6.423
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: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -75.890123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.890123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.890123 (E_RNA)
where:
Base-Base interactions energy: -34.682
where: short stacking energy: -21.582
Base-Backbone interact. energy: -0.112
local terms energy: -41.095811
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -8.135
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: 1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -209.985023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.985023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.985023 (E_RNA)
where:
Base-Base interactions energy: -137.724
where: short stacking energy: -59.949
Base-Backbone interact. energy: 0.093
local terms energy: -72.354310
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -10.042
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: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -192.848296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.848296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.848296 (E_RNA)
where:
Base-Base interactions energy: -120.807
where: short stacking energy: -58.216
Base-Backbone interact. energy: -0.962
local terms energy: -71.079421
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -187.109942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.109942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.109942 (E_RNA)
where:
Base-Base interactions energy: -126.780
where: short stacking energy: -53.566
Base-Backbone interact. energy: -0.464
local terms energy: -59.865538
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -10.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -159.922012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.922012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.922012 (E_RNA)
where:
Base-Base interactions energy: -91.633
where: short stacking energy: -50.738
Base-Backbone interact. energy: 0.046
local terms energy: -68.334508
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -166.995819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.995819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.995819 (E_RNA)
where:
Base-Base interactions energy: -97.769
where: short stacking energy: -48.462
Base-Backbone interact. energy: -0.179
local terms energy: -69.047600
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -10.971
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: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -99.187237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.187237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.187237 (E_RNA)
where:
Base-Base interactions energy: -43.266
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.001
local terms energy: -55.920126
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -9.194
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: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -106.614577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.614577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.614577 (E_RNA)
where:
Base-Base interactions energy: -54.763
where: short stacking energy: -24.467
Base-Backbone interact. energy: -0.567
local terms energy: -51.285351
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -89.982722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.982722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.982722 (E_RNA)
where:
Base-Base interactions energy: -45.314
where: short stacking energy: -37.607
Base-Backbone interact. energy: 0.038
local terms energy: -44.706712
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -7.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -86.631712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.631712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.631712 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -34.379
Base-Backbone interact. energy: -0.097
local terms energy: -47.685690
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -6.527
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: 60
Temperature: 1.350000
Total energy: -85.450638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.450638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.450638 (E_RNA)
where:
Base-Base interactions energy: -34.038
where: short stacking energy: -31.497
Base-Backbone interact. energy: -0.248
local terms energy: -51.164356
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -210.309576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.309576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.309576 (E_RNA)
where:
Base-Base interactions energy: -137.182
where: short stacking energy: -62.443
Base-Backbone interact. energy: -0.025
local terms energy: -73.102454
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -197.480081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.480081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.480081 (E_RNA)
where:
Base-Base interactions energy: -132.369
where: short stacking energy: -50.662
Base-Backbone interact. energy: -0.157
local terms energy: -64.953648
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -188.204118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.204118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.204118 (E_RNA)
where:
Base-Base interactions energy: -115.269
where: short stacking energy: -62.976
Base-Backbone interact. energy: -0.470
local terms energy: -72.465397
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -19.129
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: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -172.066929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.066929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.066929 (E_RNA)
where:
Base-Base interactions energy: -107.319
where: short stacking energy: -60.729
Base-Backbone interact. energy: -0.115
local terms energy: -64.632667
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -152.179392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.179392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.179392 (E_RNA)
where:
Base-Base interactions energy: -89.854
where: short stacking energy: -52.246
Base-Backbone interact. energy: -0.037
local terms energy: -62.288353
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -95.035823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.035823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.035823 (E_RNA)
where:
Base-Base interactions energy: -44.581
where: short stacking energy: -39.549
Base-Backbone interact. energy: -0.582
local terms energy: -49.873311
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -118.033427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.033427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.033427 (E_RNA)
where:
Base-Base interactions energy: -69.437
where: short stacking energy: -43.961
Base-Backbone interact. energy: -0.096
local terms energy: -48.500142
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -8.621
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -8.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -93.414341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.414341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.414341 (E_RNA)
where:
Base-Base interactions energy: -47.496
where: short stacking energy: -33.934
Base-Backbone interact. energy: -0.116
local terms energy: -45.803279
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -8.445
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -86.571746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.571746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.571746 (E_RNA)
where:
Base-Base interactions energy: -39.315
where: short stacking energy: -37.760
Base-Backbone interact. energy: -0.267
local terms energy: -46.989974
where:
bonds (distance) C4'-P energy: -8.515
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -73.218270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.218270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.218270 (E_RNA)
where:
Base-Base interactions energy: -22.511
where: short stacking energy: -19.447
Base-Backbone interact. energy: -0.343
local terms energy: -50.365144
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: 1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -194.757745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.757745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.757745 (E_RNA)
where:
Base-Base interactions energy: -125.425
where: short stacking energy: -46.999
Base-Backbone interact. energy: -0.052
local terms energy: -69.280958
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -211.655788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.655788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.655788 (E_RNA)
where:
Base-Base interactions energy: -135.365
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.015
local terms energy: -76.276026
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -169.650778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.650778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.650778 (E_RNA)
where:
Base-Base interactions energy: -104.668
where: short stacking energy: -57.947
Base-Backbone interact. energy: -1.115
local terms energy: -63.867787
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -5.534
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: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -165.284926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.284926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.284926 (E_RNA)
where:
Base-Base interactions energy: -96.051
where: short stacking energy: -51.377
Base-Backbone interact. energy: -0.002
local terms energy: -69.231236
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -16.268
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: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -152.688930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.688930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.688930 (E_RNA)
where:
Base-Base interactions energy: -85.395
where: short stacking energy: -39.511
Base-Backbone interact. energy: -0.013
local terms energy: -67.281022
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -99.671892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.671892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.671892 (E_RNA)
where:
Base-Base interactions energy: -42.653
where: short stacking energy: -39.838
Base-Backbone interact. energy: 0.366
local terms energy: -57.385104
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -120.050813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.050813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.050813 (E_RNA)
where:
Base-Base interactions energy: -73.380
where: short stacking energy: -36.609
Base-Backbone interact. energy: -0.077
local terms energy: -46.593865
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -4.553
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: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -90.859899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.859899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.859899 (E_RNA)
where:
Base-Base interactions energy: -29.012
where: short stacking energy: -29.288
Base-Backbone interact. energy: 0.186
local terms energy: -62.033372
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -85.215511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.215511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.215511 (E_RNA)
where:
Base-Base interactions energy: -31.337
where: short stacking energy: -31.337
Base-Backbone interact. energy: -0.163
local terms energy: -53.715573
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -84.704838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.704838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.704838 (E_RNA)
where:
Base-Base interactions energy: -37.278
where: short stacking energy: -33.868
Base-Backbone interact. energy: -0.174
local terms energy: -47.252876
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -195.648213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.648213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.648213 (E_RNA)
where:
Base-Base interactions energy: -126.025
where: short stacking energy: -50.825
Base-Backbone interact. energy: -1.406
local terms energy: -68.216728
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -200.646330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.646330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.646330 (E_RNA)
where:
Base-Base interactions energy: -135.676
where: short stacking energy: -59.439
Base-Backbone interact. energy: -0.440
local terms energy: -64.530439
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -13.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -178.813627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.813627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.813627 (E_RNA)
where:
Base-Base interactions energy: -110.801
where: short stacking energy: -69.305
Base-Backbone interact. energy: -0.020
local terms energy: -67.992672
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -164.714575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.714575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.714575 (E_RNA)
where:
Base-Base interactions energy: -95.158
where: short stacking energy: -52.864
Base-Backbone interact. energy: -0.224
local terms energy: -69.332264
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -16.820
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: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -144.724870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.724870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.724870 (E_RNA)
where:
Base-Base interactions energy: -84.528
where: short stacking energy: -46.549
Base-Backbone interact. energy: -0.425
local terms energy: -59.771410
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -8.149
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -13.654
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: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -132.039337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.039337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.039337 (E_RNA)
where:
Base-Base interactions energy: -69.521
where: short stacking energy: -35.453
Base-Backbone interact. energy: -0.389
local terms energy: -62.129574
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -88.064171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.064171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.064171 (E_RNA)
where:
Base-Base interactions energy: -35.288
where: short stacking energy: -29.334
Base-Backbone interact. energy: -0.126
local terms energy: -52.649455
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -87.552030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.552030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.552030 (E_RNA)
where:
Base-Base interactions energy: -36.788
where: short stacking energy: -36.788
Base-Backbone interact. energy: -0.136
local terms energy: -50.628246
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -7.396
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: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -110.201045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.201045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.201045 (E_RNA)
where:
Base-Base interactions energy: -57.443
where: short stacking energy: -30.848
Base-Backbone interact. energy: 1.853
local terms energy: -54.610339
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -87.987531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.987531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.987531 (E_RNA)
where:
Base-Base interactions energy: -37.667
where: short stacking energy: -29.678
Base-Backbone interact. energy: -1.084
local terms energy: -49.237203
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -7.617
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -195.049431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.049431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.049431 (E_RNA)
where:
Base-Base interactions energy: -128.280
where: short stacking energy: -54.411
Base-Backbone interact. energy: -0.653
local terms energy: -66.116537
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -11.606
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: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -183.280448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.280448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.280448 (E_RNA)
where:
Base-Base interactions energy: -117.847
where: short stacking energy: -55.517
Base-Backbone interact. energy: -0.165
local terms energy: -65.268286
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -178.781946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.781946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.781946 (E_RNA)
where:
Base-Base interactions energy: -111.982
where: short stacking energy: -67.245
Base-Backbone interact. energy: -0.046
local terms energy: -66.753327
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -209.198232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.198232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.198232 (E_RNA)
where:
Base-Base interactions energy: -129.785
where: short stacking energy: -69.257
Base-Backbone interact. energy: -0.286
local terms energy: -79.127287
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -11.068
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: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -132.752548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.752548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.752548 (E_RNA)
where:
Base-Base interactions energy: -79.481
where: short stacking energy: -32.254
Base-Backbone interact. energy: 0.155
local terms energy: -53.426865
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -141.551374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.551374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.551374 (E_RNA)
where:
Base-Base interactions energy: -82.670
where: short stacking energy: -45.208
Base-Backbone interact. energy: -0.776
local terms energy: -58.104847
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -10.892
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: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -86.053600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.053600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.053600 (E_RNA)
where:
Base-Base interactions energy: -28.429
where: short stacking energy: -25.720
Base-Backbone interact. energy: -0.092
local terms energy: -57.532498
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -91.133898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.133898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.133898 (E_RNA)
where:
Base-Base interactions energy: -45.474
where: short stacking energy: -23.880
Base-Backbone interact. energy: -0.897
local terms energy: -44.762197
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: 0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -102.595193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.595193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.595193 (E_RNA)
where:
Base-Base interactions energy: -52.227
where: short stacking energy: -25.231
Base-Backbone interact. energy: 0.591
local terms energy: -50.959072
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -81.542585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.542585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.542585 (E_RNA)
where:
Base-Base interactions energy: -25.415
where: short stacking energy: -25.376
Base-Backbone interact. energy: 0.281
local terms energy: -56.408127
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -0.103
tors. eta vs tors. theta energy: -8.251
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: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -182.617930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.617930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.617930 (E_RNA)
where:
Base-Base interactions energy: -118.200
where: short stacking energy: -52.244
Base-Backbone interact. energy: -0.291
local terms energy: -64.126283
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -204.159666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.159666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.159666 (E_RNA)
where:
Base-Base interactions energy: -120.185
where: short stacking energy: -75.048
Base-Backbone interact. energy: -0.043
local terms energy: -83.931222
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -19.149
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: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -180.665489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.665489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.665489 (E_RNA)
where:
Base-Base interactions energy: -117.489
where: short stacking energy: -43.099
Base-Backbone interact. energy: -2.876
local terms energy: -60.300640
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -195.636719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.636719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.636719 (E_RNA)
where:
Base-Base interactions energy: -124.472
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.339
local terms energy: -70.825866
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -96.128310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.128310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.128310 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -35.583
Base-Backbone interact. energy: -0.646
local terms energy: -54.894401
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -6.799
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: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -88.535998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.535998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.535998 (E_RNA)
where:
Base-Base interactions energy: -33.116
where: short stacking energy: -29.872
Base-Backbone interact. energy: -0.144
local terms energy: -55.276278
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -148.731129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.731129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.731129 (E_RNA)
where:
Base-Base interactions energy: -89.363
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.004
local terms energy: -59.363653
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -12.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -97.303292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.303292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.303292 (E_RNA)
where:
Base-Base interactions energy: -47.014
where: short stacking energy: -25.074
Base-Backbone interact. energy: -0.759
local terms energy: -49.529327
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -12.442
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: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -86.974664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.974664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.974664 (E_RNA)
where:
Base-Base interactions energy: -33.317
where: short stacking energy: -24.337
Base-Backbone interact. energy: -1.256
local terms energy: -52.401837
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -80.610529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.610529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.610529 (E_RNA)
where:
Base-Base interactions energy: -37.089
where: short stacking energy: -36.315
Base-Backbone interact. energy: -0.153
local terms energy: -43.369223
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -7.883
flat angles C4'-P-C4' energy: -6.685
flat angles P-C4'-P energy: -5.956
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: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -209.243037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.243037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.243037 (E_RNA)
where:
Base-Base interactions energy: -138.553
where: short stacking energy: -59.398
Base-Backbone interact. energy: -0.759
local terms energy: -69.930463
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -12.632
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: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -178.639528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.639528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.639528 (E_RNA)
where:
Base-Base interactions energy: -109.790
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.049
local terms energy: -68.800888
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -9.381
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: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -173.139394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.139394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.139394 (E_RNA)
where:
Base-Base interactions energy: -112.091
where: short stacking energy: -53.359
Base-Backbone interact. energy: -0.191
local terms energy: -60.857293
where:
bonds (distance) C4'-P energy: -9.058
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -191.396032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.396032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.396032 (E_RNA)
where:
Base-Base interactions energy: -129.001
where: short stacking energy: -61.203
Base-Backbone interact. energy: -0.183
local terms energy: -62.212065
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -10.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -105.983158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.983158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.983158 (E_RNA)
where:
Base-Base interactions energy: -48.394
where: short stacking energy: -44.895
Base-Backbone interact. energy: -0.088
local terms energy: -57.501920
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -105.200008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.200008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.200008 (E_RNA)
where:
Base-Base interactions energy: -38.925
where: short stacking energy: -38.925
Base-Backbone interact. energy: -0.288
local terms energy: -65.987184
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -7.747
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: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -143.225194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.225194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.225194 (E_RNA)
where:
Base-Base interactions energy: -82.657
where: short stacking energy: -44.154
Base-Backbone interact. energy: -1.112
local terms energy: -59.455934
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -5.097
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: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -86.748172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.748172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.748172 (E_RNA)
where:
Base-Base interactions energy: -34.049
where: short stacking energy: -31.727
Base-Backbone interact. energy: -0.058
local terms energy: -52.641267
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -8.151
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -108.994087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.994087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.994087 (E_RNA)
where:
Base-Base interactions energy: -59.829
where: short stacking energy: -32.066
Base-Backbone interact. energy: -0.934
local terms energy: -48.231595
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -13.254
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: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -88.889623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.889623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.889623 (E_RNA)
where:
Base-Base interactions energy: -35.312
where: short stacking energy: -33.119
Base-Backbone interact. energy: -0.458
local terms energy: -53.119586
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -12.050
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: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -211.460713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.460713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.460713 (E_RNA)
where:
Base-Base interactions energy: -138.861
where: short stacking energy: -55.366
Base-Backbone interact. energy: -0.043
local terms energy: -72.557090
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -177.096260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.096260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.096260 (E_RNA)
where:
Base-Base interactions energy: -105.950
where: short stacking energy: -46.163
Base-Backbone interact. energy: -0.704
local terms energy: -70.442679
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -11.297
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: 67
Temperature: 1.000000
Total energy: -176.331375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.331375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.331375 (E_RNA)
where:
Base-Base interactions energy: -112.568
where: short stacking energy: -58.337
Base-Backbone interact. energy: -0.071
local terms energy: -63.692283
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -11.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -178.156245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.156245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.156245 (E_RNA)
where:
Base-Base interactions energy: -111.957
where: short stacking energy: -53.170
Base-Backbone interact. energy: 0.720
local terms energy: -66.919629
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -10.727
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: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -98.095826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.095826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.095826 (E_RNA)
where:
Base-Base interactions energy: -28.302
where: short stacking energy: -28.302
Base-Backbone interact. energy: -0.107
local terms energy: -69.687014
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -135.485532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.485532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.485532 (E_RNA)
where:
Base-Base interactions energy: -80.891
where: short stacking energy: -46.564
Base-Backbone interact. energy: -0.337
local terms energy: -54.258241
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -113.287943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.287943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.287943 (E_RNA)
where:
Base-Base interactions energy: -74.804
where: short stacking energy: -36.535
Base-Backbone interact. energy: -0.227
local terms energy: -38.256907
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: 0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -88.848859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.848859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.848859 (E_RNA)
where:
Base-Base interactions energy: -43.469
where: short stacking energy: -19.873
Base-Backbone interact. energy: -0.121
local terms energy: -45.259182
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: 1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -72.156235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.156235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.156235 (E_RNA)
where:
Base-Base interactions energy: -23.317
where: short stacking energy: -24.617
Base-Backbone interact. energy: -0.355
local terms energy: -48.484589
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -69.437276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.437276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.437276 (E_RNA)
where:
Base-Base interactions energy: -20.823
where: short stacking energy: -15.572
Base-Backbone interact. energy: -0.166
local terms energy: -48.448429
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: 0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -205.890266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.890266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.890266 (E_RNA)
where:
Base-Base interactions energy: -130.851
where: short stacking energy: -59.950
Base-Backbone interact. energy: -0.009
local terms energy: -75.030168
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -7.004
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: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -178.841673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.841673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.841673 (E_RNA)
where:
Base-Base interactions energy: -113.503
where: short stacking energy: -40.181
Base-Backbone interact. energy: -0.843
local terms energy: -64.495238
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -10.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -182.652272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.652272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.652272 (E_RNA)
where:
Base-Base interactions energy: -113.244
where: short stacking energy: -59.199
Base-Backbone interact. energy: -0.230
local terms energy: -69.179182
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -182.953010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.953010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.953010 (E_RNA)
where:
Base-Base interactions energy: -114.018
where: short stacking energy: -65.245
Base-Backbone interact. energy: -0.261
local terms energy: -68.674328
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -180.841290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.841290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.841290 (E_RNA)
where:
Base-Base interactions energy: -117.902
where: short stacking energy: -63.213
Base-Backbone interact. energy: -0.039
local terms energy: -62.901126
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -11.980
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: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -100.567942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.567942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.567942 (E_RNA)
where:
Base-Base interactions energy: -52.526
where: short stacking energy: -41.042
Base-Backbone interact. energy: 0.245
local terms energy: -48.286580
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -8.600
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -150.210076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.210076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.210076 (E_RNA)
where:
Base-Base interactions energy: -91.269
where: short stacking energy: -56.995
Base-Backbone interact. energy: -0.171
local terms energy: -58.770337
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -15.804
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: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -90.462097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.462097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.462097 (E_RNA)
where:
Base-Base interactions energy: -46.148
where: short stacking energy: -45.736
Base-Backbone interact. energy: -0.137
local terms energy: -44.177814
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -8.794
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -85.013405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.013405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.013405 (E_RNA)
where:
Base-Base interactions energy: -34.645
where: short stacking energy: -34.645
Base-Backbone interact. energy: -0.077
local terms energy: -50.291849
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -80.723111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.723111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.723111 (E_RNA)
where:
Base-Base interactions energy: -36.449
where: short stacking energy: -29.551
Base-Backbone interact. energy: 0.423
local terms energy: -44.696731
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: 1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -199.611190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.611190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.611190 (E_RNA)
where:
Base-Base interactions energy: -127.218
where: short stacking energy: -66.806
Base-Backbone interact. energy: -0.001
local terms energy: -72.392068
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -175.404052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.404052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.404052 (E_RNA)
where:
Base-Base interactions energy: -113.568
where: short stacking energy: -52.243
Base-Backbone interact. energy: -0.325
local terms energy: -61.510969
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -7.778
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: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -183.705633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.705633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.705633 (E_RNA)
where:
Base-Base interactions energy: -119.356
where: short stacking energy: -47.990
Base-Backbone interact. energy: -0.232
local terms energy: -64.118327
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -13.669
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: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -179.796739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.796739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.796739 (E_RNA)
where:
Base-Base interactions energy: -119.282
where: short stacking energy: -55.259
Base-Backbone interact. energy: -0.064
local terms energy: -60.450998
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -9.413
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: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -177.396699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.396699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.396699 (E_RNA)
where:
Base-Base interactions energy: -116.532
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.075
local terms energy: -60.790297
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -13.384
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: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -128.506754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.506754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.506754 (E_RNA)
where:
Base-Base interactions energy: -67.842
where: short stacking energy: -40.960
Base-Backbone interact. energy: -0.165
local terms energy: -60.500177
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -102.238146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.238146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.238146 (E_RNA)
where:
Base-Base interactions energy: -46.599
where: short stacking energy: -44.398
Base-Backbone interact. energy: -0.053
local terms energy: -55.586708
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -84.406187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.406187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.406187 (E_RNA)
where:
Base-Base interactions energy: -33.136
where: short stacking energy: -33.136
Base-Backbone interact. energy: -0.168
local terms energy: -51.103103
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -7.576
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: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -81.307913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.307913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.307913 (E_RNA)
where:
Base-Base interactions energy: -27.922
where: short stacking energy: -21.376
Base-Backbone interact. energy: -0.280
local terms energy: -53.105828
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -85.180839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.180839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.180839 (E_RNA)
where:
Base-Base interactions energy: -30.621
where: short stacking energy: -30.621
Base-Backbone interact. energy: -0.030
local terms energy: -54.530083
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -190.548541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.548541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.548541 (E_RNA)
where:
Base-Base interactions energy: -119.868
where: short stacking energy: -61.085
Base-Backbone interact. energy: -2.399
local terms energy: -68.281330
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -6.703
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: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -185.448606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.448606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.448606 (E_RNA)
where:
Base-Base interactions energy: -117.252
where: short stacking energy: -47.658
Base-Backbone interact. energy: -0.012
local terms energy: -68.185012
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -15.419
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: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -182.991720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.991720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.991720 (E_RNA)
where:
Base-Base interactions energy: -111.219
where: short stacking energy: -49.338
Base-Backbone interact. energy: -0.087
local terms energy: -71.685481
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -10.222
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: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -194.997570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.997570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.997570 (E_RNA)
where:
Base-Base interactions energy: -128.047
where: short stacking energy: -52.384
Base-Backbone interact. energy: -0.126
local terms energy: -66.824079
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -173.554949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.554949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.554949 (E_RNA)
where:
Base-Base interactions energy: -114.418
where: short stacking energy: -56.074
Base-Backbone interact. energy: -0.097
local terms energy: -59.040477
where:
bonds (distance) C4'-P energy: -7.365
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -10.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -144.493830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.493830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.493830 (E_RNA)
where:
Base-Base interactions energy: -85.400
where: short stacking energy: -43.874
Base-Backbone interact. energy: -0.039
local terms energy: -59.054385
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -5.628
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: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -103.168440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.168440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.168440 (E_RNA)
where:
Base-Base interactions energy: -52.379
where: short stacking energy: -38.345
Base-Backbone interact. energy: -1.633
local terms energy: -49.156664
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -84.960593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.960593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.960593 (E_RNA)
where:
Base-Base interactions energy: -35.747
where: short stacking energy: -25.201
Base-Backbone interact. energy: 0.303
local terms energy: -49.516342
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -102.047454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.047454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.047454 (E_RNA)
where:
Base-Base interactions energy: -43.698
where: short stacking energy: -43.698
Base-Backbone interact. energy: -0.019
local terms energy: -58.330152
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -9.402
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -80.551808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.551808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.551808 (E_RNA)
where:
Base-Base interactions energy: -35.865
where: short stacking energy: -21.395
Base-Backbone interact. energy: -0.178
local terms energy: -44.508791
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: 2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -183.808096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.808096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.808096 (E_RNA)
where:
Base-Base interactions energy: -115.038
where: short stacking energy: -52.410
Base-Backbone interact. energy: -0.887
local terms energy: -67.882990
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -171.268902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.268902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.268902 (E_RNA)
where:
Base-Base interactions energy: -96.207
where: short stacking energy: -52.091
Base-Backbone interact. energy: -0.008
local terms energy: -75.053278
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -192.935468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.935468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.935468 (E_RNA)
where:
Base-Base interactions energy: -120.628
where: short stacking energy: -63.492
Base-Backbone interact. energy: -0.000
local terms energy: -72.307075
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -194.125462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.125462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.125462 (E_RNA)
where:
Base-Base interactions energy: -126.461
where: short stacking energy: -60.067
Base-Backbone interact. energy: 0.941
local terms energy: -68.605390
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -161.794563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.794563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.794563 (E_RNA)
where:
Base-Base interactions energy: -98.251
where: short stacking energy: -48.800
Base-Backbone interact. energy: -0.464
local terms energy: -63.079513
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -7.155
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: 6, replica: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -145.891322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.891322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.891322 (E_RNA)
where:
Base-Base interactions energy: -88.026
where: short stacking energy: -35.787
Base-Backbone interact. energy: -0.417
local terms energy: -57.448471
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -10.496
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: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -100.680696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.680696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.680696 (E_RNA)
where:
Base-Base interactions energy: -52.701
where: short stacking energy: -31.912
Base-Backbone interact. energy: -0.184
local terms energy: -47.796068
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -89.881209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.881209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.881209 (E_RNA)
where:
Base-Base interactions energy: -33.484
where: short stacking energy: -33.484
Base-Backbone interact. energy: -1.269
local terms energy: -55.128210
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -8.840
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: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -87.756545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.756545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.756545 (E_RNA)
where:
Base-Base interactions energy: -43.686
where: short stacking energy: -32.495
Base-Backbone interact. energy: 2.521
local terms energy: -46.591490
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -5.457
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -73.666839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.666839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.666839 (E_RNA)
where:
Base-Base interactions energy: -27.280
where: short stacking energy: -26.882
Base-Backbone interact. energy: -1.982
local terms energy: -44.405584
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -8.595
flat angles P-C4'-P energy: -6.811
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: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -207.718705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.718705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.718705 (E_RNA)
where:
Base-Base interactions energy: -127.473
where: short stacking energy: -66.569
Base-Backbone interact. energy: -0.284
local terms energy: -79.960861
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -21.759
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: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -188.677314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.677314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.677314 (E_RNA)
where:
Base-Base interactions energy: -126.493
where: short stacking energy: -46.519
Base-Backbone interact. energy: -1.694
local terms energy: -60.490258
where:
bonds (distance) C4'-P energy: -8.371
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -182.285189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.285189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.285189 (E_RNA)
where:
Base-Base interactions energy: -106.550
where: short stacking energy: -64.531
Base-Backbone interact. energy: -0.257
local terms energy: -75.478485
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -161.660983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.660983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.660983 (E_RNA)
where:
Base-Base interactions energy: -109.126
where: short stacking energy: -48.973
Base-Backbone interact. energy: -0.185
local terms energy: -52.349897
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -4.777
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: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -163.113067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.113067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.113067 (E_RNA)
where:
Base-Base interactions energy: -101.200
where: short stacking energy: -61.241
Base-Backbone interact. energy: -0.300
local terms energy: -61.612812
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -6.383
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -15.850
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: 72
Temperature: 1.150000
Total energy: -115.397714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.397714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.397714 (E_RNA)
where:
Base-Base interactions energy: -62.586
where: short stacking energy: -30.409
Base-Backbone interact. energy: -0.947
local terms energy: -51.864851
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -96.416003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.416003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.416003 (E_RNA)
where:
Base-Base interactions energy: -44.015
where: short stacking energy: -37.350
Base-Backbone interact. energy: -0.880
local terms energy: -51.520497
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -112.308688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.308688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.308688 (E_RNA)
where:
Base-Base interactions energy: -58.856
where: short stacking energy: -37.392
Base-Backbone interact. energy: -0.369
local terms energy: -53.082994
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -83.677701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.677701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.677701 (E_RNA)
where:
Base-Base interactions energy: -38.296
where: short stacking energy: -22.193
Base-Backbone interact. energy: 1.001
local terms energy: -46.383355
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: 1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -81.623172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.623172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.623172 (E_RNA)
where:
Base-Base interactions energy: -27.488
where: short stacking energy: -27.105
Base-Backbone interact. energy: -0.410
local terms energy: -53.724688
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -213.675383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.675383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.675383 (E_RNA)
where:
Base-Base interactions energy: -136.680
where: short stacking energy: -75.280
Base-Backbone interact. energy: -0.029
local terms energy: -76.966759
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -22.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -186.969595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.969595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.969595 (E_RNA)
where:
Base-Base interactions energy: -124.877
where: short stacking energy: -52.170
Base-Backbone interact. energy: -0.014
local terms energy: -62.078747
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -180.979973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.979973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.979973 (E_RNA)
where:
Base-Base interactions energy: -121.715
where: short stacking energy: -56.772
Base-Backbone interact. energy: 1.842
local terms energy: -61.106986
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -163.882359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.882359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.882359 (E_RNA)
where:
Base-Base interactions energy: -105.063
where: short stacking energy: -56.699
Base-Backbone interact. energy: -0.832
local terms energy: -57.987282
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -2.455
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: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -168.374350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.374350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.374350 (E_RNA)
where:
Base-Base interactions energy: -108.553
where: short stacking energy: -41.622
Base-Backbone interact. energy: -0.596
local terms energy: -59.225723
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -133.740534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.740534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.740534 (E_RNA)
where:
Base-Base interactions energy: -73.303
where: short stacking energy: -42.635
Base-Backbone interact. energy: -0.129
local terms energy: -60.308943
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -4.961
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: 73
Temperature: 1.200000
Total energy: -80.131884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.131884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.131884 (E_RNA)
where:
Base-Base interactions energy: -40.342
where: short stacking energy: -17.268
Base-Backbone interact. energy: -0.429
local terms energy: -39.361270
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: 0.382
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -92.270635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.270635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.270635 (E_RNA)
where:
Base-Base interactions energy: -41.748
where: short stacking energy: -27.668
Base-Backbone interact. energy: 0.382
local terms energy: -50.905112
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -83.137805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.137805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.137805 (E_RNA)
where:
Base-Base interactions energy: -34.119
where: short stacking energy: -28.950
Base-Backbone interact. energy: -0.044
local terms energy: -48.974550
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -3.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -79.195127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.195127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.195127 (E_RNA)
where:
Base-Base interactions energy: -30.064
where: short stacking energy: -24.519
Base-Backbone interact. energy: 0.643
local terms energy: -49.774144
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -7.626
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: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -221.235485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.235485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.235485 (E_RNA)
where:
Base-Base interactions energy: -145.149
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.303
local terms energy: -75.783736
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -200.366812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.366812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.366812 (E_RNA)
where:
Base-Base interactions energy: -145.137
where: short stacking energy: -61.576
Base-Backbone interact. energy: -0.200
local terms energy: -55.029745
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -172.989732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.989732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.989732 (E_RNA)
where:
Base-Base interactions energy: -111.684
where: short stacking energy: -55.769
Base-Backbone interact. energy: 0.329
local terms energy: -61.634937
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -16.022
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: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -162.940805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.940805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.940805 (E_RNA)
where:
Base-Base interactions energy: -99.843
where: short stacking energy: -47.881
Base-Backbone interact. energy: -0.480
local terms energy: -62.617152
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -10.599
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: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -161.516882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.516882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.516882 (E_RNA)
where:
Base-Base interactions energy: -104.538
where: short stacking energy: -46.146
Base-Backbone interact. energy: -0.213
local terms energy: -56.766476
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -5.379
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: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -96.128331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.128331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.128331 (E_RNA)
where:
Base-Base interactions energy: -39.866
where: short stacking energy: -22.151
Base-Backbone interact. energy: -0.413
local terms energy: -55.849243
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -103.382617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.382617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.382617 (E_RNA)
where:
Base-Base interactions energy: -45.480
where: short stacking energy: -45.480
Base-Backbone interact. energy: -0.136
local terms energy: -57.766736
where:
bonds (distance) C4'-P energy: -6.884
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -84.955684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.955684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.955684 (E_RNA)
where:
Base-Base interactions energy: -29.858
where: short stacking energy: -24.341
Base-Backbone interact. energy: -0.359
local terms energy: -54.738807
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -7.326
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: 1
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -77.813531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.813531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.813531 (E_RNA)
where:
Base-Base interactions energy: -22.799
where: short stacking energy: -16.165
Base-Backbone interact. energy: -0.111
local terms energy: -54.903635
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: 1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -85.303997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.303997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.303997 (E_RNA)
where:
Base-Base interactions energy: -33.981
where: short stacking energy: -33.981
Base-Backbone interact. energy: 1.701
local terms energy: -53.024237
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -6.132
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: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -219.547987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.547987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.547987 (E_RNA)
where:
Base-Base interactions energy: -144.644
where: short stacking energy: -66.201
Base-Backbone interact. energy: -0.076
local terms energy: -74.827794
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -199.184684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.184684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.184684 (E_RNA)
where:
Base-Base interactions energy: -136.119
where: short stacking energy: -57.833
Base-Backbone interact. energy: -0.271
local terms energy: -62.794137
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -8.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -180.636200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.636200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.636200 (E_RNA)
where:
Base-Base interactions energy: -104.856
where: short stacking energy: -64.103
Base-Backbone interact. energy: -0.005
local terms energy: -75.775199
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -188.143505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.143505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.143505 (E_RNA)
where:
Base-Base interactions energy: -124.554
where: short stacking energy: -59.350
Base-Backbone interact. energy: -0.479
local terms energy: -63.110255
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -155.275860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.275860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.275860 (E_RNA)
where:
Base-Base interactions energy: -94.112
where: short stacking energy: -49.519
Base-Backbone interact. energy: -0.205
local terms energy: -60.958501
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -102.011524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.011524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.011524 (E_RNA)
where:
Base-Base interactions energy: -45.045
where: short stacking energy: -32.569
Base-Backbone interact. energy: -0.161
local terms energy: -56.806189
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -105.099070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.099070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.099070 (E_RNA)
where:
Base-Base interactions energy: -49.836
where: short stacking energy: -49.836
Base-Backbone interact. energy: -0.001
local terms energy: -55.261945
where:
bonds (distance) C4'-P energy: -6.762
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -12.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -82.875291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.875291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.875291 (E_RNA)
where:
Base-Base interactions energy: -30.251
where: short stacking energy: -30.251
Base-Backbone interact. energy: -0.174
local terms energy: -52.450534
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -79.419758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.419758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.419758 (E_RNA)
where:
Base-Base interactions energy: -25.259
where: short stacking energy: -24.738
Base-Backbone interact. energy: -1.264
local terms energy: -52.897091
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -90.165883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.165883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.165883 (E_RNA)
where:
Base-Base interactions energy: -40.516
where: short stacking energy: -40.516
Base-Backbone interact. energy: 1.782
local terms energy: -51.431933
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -9.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -217.432393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.432393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.432393 (E_RNA)
where:
Base-Base interactions energy: -141.568
where: short stacking energy: -63.324
Base-Backbone interact. energy: -0.043
local terms energy: -75.821163
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -192.313153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.313153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.313153 (E_RNA)
where:
Base-Base interactions energy: -126.248
where: short stacking energy: -64.141
Base-Backbone interact. energy: -0.013
local terms energy: -66.052275
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -18.262
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: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -191.726749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.726749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.726749 (E_RNA)
where:
Base-Base interactions energy: -124.435
where: short stacking energy: -63.201
Base-Backbone interact. energy: 0.589
local terms energy: -67.880570
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -13.989
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: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -168.956752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.956752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.956752 (E_RNA)
where:
Base-Base interactions energy: -109.782
where: short stacking energy: -43.704
Base-Backbone interact. energy: 0.451
local terms energy: -59.626504
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -6.528
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: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -160.726172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.726172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.726172 (E_RNA)
where:
Base-Base interactions energy: -94.641
where: short stacking energy: -55.276
Base-Backbone interact. energy: -0.004
local terms energy: -66.081116
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -102.655127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.655127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.655127 (E_RNA)
where:
Base-Base interactions energy: -41.071
where: short stacking energy: -41.171
Base-Backbone interact. energy: -0.042
local terms energy: -61.542137
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -86.149138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.149138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.149138 (E_RNA)
where:
Base-Base interactions energy: -43.396
where: short stacking energy: -39.802
Base-Backbone interact. energy: -0.222
local terms energy: -42.530735
where:
bonds (distance) C4'-P energy: -6.392
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -8.195
flat angles P-C4'-P energy: -8.306
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: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -85.787913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.787913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.787913 (E_RNA)
where:
Base-Base interactions energy: -34.248
where: short stacking energy: -34.248
Base-Backbone interact. energy: 1.457
local terms energy: -52.997275
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -89.551159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.551159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.551159 (E_RNA)
where:
Base-Base interactions energy: -35.489
where: short stacking energy: -34.724
Base-Backbone interact. energy: -0.018
local terms energy: -54.044538
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -78.285984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.285984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.285984 (E_RNA)
where:
Base-Base interactions energy: -24.165
where: short stacking energy: -21.982
Base-Backbone interact. energy: -0.171
local terms energy: -53.950100
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -216.895009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.895009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.895009 (E_RNA)
where:
Base-Base interactions energy: -137.046
where: short stacking energy: -68.198
Base-Backbone interact. energy: -0.052
local terms energy: -79.796739
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -23.131
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: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -203.437211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.437211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.437211 (E_RNA)
where:
Base-Base interactions energy: -131.479
where: short stacking energy: -66.202
Base-Backbone interact. energy: -0.073
local terms energy: -71.885643
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -188.032002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.032002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.032002 (E_RNA)
where:
Base-Base interactions energy: -126.425
where: short stacking energy: -61.092
Base-Backbone interact. energy: -0.456
local terms energy: -61.151480
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -11.474
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: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -178.703746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.703746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.703746 (E_RNA)
where:
Base-Base interactions energy: -111.588
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.025
local terms energy: -67.090760
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -9.611
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: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -159.833571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.833571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.833571 (E_RNA)
where:
Base-Base interactions energy: -98.134
where: short stacking energy: -53.628
Base-Backbone interact. energy: 0.089
local terms energy: -61.788643
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -10.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -114.004731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.004731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.004731 (E_RNA)
where:
Base-Base interactions energy: -54.359
where: short stacking energy: -43.147
Base-Backbone interact. energy: 0.123
local terms energy: -59.768340
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -90.682269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.682269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.682269 (E_RNA)
where:
Base-Base interactions energy: -32.573
where: short stacking energy: -32.287
Base-Backbone interact. energy: -0.189
local terms energy: -57.919886
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -88.681422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.681422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.681422 (E_RNA)
where:
Base-Base interactions energy: -43.540
where: short stacking energy: -40.424
Base-Backbone interact. energy: -0.001
local terms energy: -45.140484
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -79.736753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.736753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.736753 (E_RNA)
where:
Base-Base interactions energy: -36.915
where: short stacking energy: -32.295
Base-Backbone interact. energy: -0.042
local terms energy: -42.780003
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -89.691684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.691684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.691684 (E_RNA)
where:
Base-Base interactions energy: -45.442
where: short stacking energy: -38.735
Base-Backbone interact. energy: -0.116
local terms energy: -44.133687
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -3.868
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -206.846906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.846906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.846906 (E_RNA)
where:
Base-Base interactions energy: -138.993
where: short stacking energy: -67.960
Base-Backbone interact. energy: 1.842
local terms energy: -69.695774
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -10.633
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: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -214.201439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.201439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.201439 (E_RNA)
where:
Base-Base interactions energy: -133.200
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.295
local terms energy: -80.706306
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -169.547309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.547309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.547309 (E_RNA)
where:
Base-Base interactions energy: -100.740
where: short stacking energy: -61.510
Base-Backbone interact. energy: -0.166
local terms energy: -68.641080
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -8.331
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: 4, replica: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -190.442457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.442457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.442457 (E_RNA)
where:
Base-Base interactions energy: -128.510
where: short stacking energy: -52.739
Base-Backbone interact. energy: -0.095
local terms energy: -61.837465
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: -8.218
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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -166.113886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.113886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.113886 (E_RNA)
where:
Base-Base interactions energy: -104.140
where: short stacking energy: -51.691
Base-Backbone interact. energy: -0.544
local terms energy: -61.429115
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -99.954695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.954695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.954695 (E_RNA)
where:
Base-Base interactions energy: -43.297
where: short stacking energy: -39.110
Base-Backbone interact. energy: -0.059
local terms energy: -56.598760
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -91.526573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.526573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.526573 (E_RNA)
where:
Base-Base interactions energy: -32.595
where: short stacking energy: -32.595
Base-Backbone interact. energy: -2.176
local terms energy: -56.755455
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.192
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: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -90.065637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.065637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.065637 (E_RNA)
where:
Base-Base interactions energy: -42.350
where: short stacking energy: -37.571
Base-Backbone interact. energy: -0.050
local terms energy: -47.666207
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -90.171984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.171984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.171984 (E_RNA)
where:
Base-Base interactions energy: -37.769
where: short stacking energy: -37.495
Base-Backbone interact. energy: -0.010
local terms energy: -52.392653
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -7.632
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: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -78.256659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.256659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.256659 (E_RNA)
where:
Base-Base interactions energy: -27.910
where: short stacking energy: -27.910
Base-Backbone interact. energy: -0.052
local terms energy: -50.293998
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -203.077049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.077049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.077049 (E_RNA)
where:
Base-Base interactions energy: -128.862
where: short stacking energy: -66.706
Base-Backbone interact. energy: -0.017
local terms energy: -74.197631
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -211.837199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.837199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.837199 (E_RNA)
where:
Base-Base interactions energy: -135.377
where: short stacking energy: -63.021
Base-Backbone interact. energy: -0.216
local terms energy: -76.244049
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -21.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -170.958361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.958361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.958361 (E_RNA)
where:
Base-Base interactions energy: -107.553
where: short stacking energy: -55.167
Base-Backbone interact. energy: 1.239
local terms energy: -64.645194
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -12.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -165.551090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.551090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.551090 (E_RNA)
where:
Base-Base interactions energy: -104.342
where: short stacking energy: -55.464
Base-Backbone interact. energy: -0.337
local terms energy: -60.871878
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -3.164
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: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -170.108875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.108875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.108875 (E_RNA)
where:
Base-Base interactions energy: -102.326
where: short stacking energy: -57.441
Base-Backbone interact. energy: -0.055
local terms energy: -67.727714
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -98.950322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.950322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.950322 (E_RNA)
where:
Base-Base interactions energy: -43.561
where: short stacking energy: -40.501
Base-Backbone interact. energy: 0.289
local terms energy: -55.678248
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -97.575020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.575020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.575020 (E_RNA)
where:
Base-Base interactions energy: -42.849
where: short stacking energy: -29.095
Base-Backbone interact. energy: -0.007
local terms energy: -54.718571
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -9.423
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -93.372295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.372295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.372295 (E_RNA)
where:
Base-Base interactions energy: -52.705
where: short stacking energy: -28.378
Base-Backbone interact. energy: -0.916
local terms energy: -39.751027
where:
bonds (distance) C4'-P energy: -7.270
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: 1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -86.451760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.451760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.451760 (E_RNA)
where:
Base-Base interactions energy: -39.694
where: short stacking energy: -39.461
Base-Backbone interact. energy: -0.012
local terms energy: -46.745632
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -72.602759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.602759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.602759 (E_RNA)
where:
Base-Base interactions energy: -25.990
where: short stacking energy: -25.990
Base-Backbone interact. energy: -0.199
local terms energy: -46.414126
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: 1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -216.544078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.544078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.544078 (E_RNA)
where:
Base-Base interactions energy: -141.046
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.005
local terms energy: -75.493214
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -203.701260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.701260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.701260 (E_RNA)
where:
Base-Base interactions energy: -130.525
where: short stacking energy: -60.505
Base-Backbone interact. energy: -0.019
local terms energy: -73.157491
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -11.670
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: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -170.940047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.940047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.940047 (E_RNA)
where:
Base-Base interactions energy: -109.350
where: short stacking energy: -46.461
Base-Backbone interact. energy: -0.404
local terms energy: -61.185807
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -9.006
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: 4, replica: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -163.780290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.780290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.780290 (E_RNA)
where:
Base-Base interactions energy: -101.893
where: short stacking energy: -54.562
Base-Backbone interact. energy: -0.212
local terms energy: -61.675748
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -7.968
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: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -148.604389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.604389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.604389 (E_RNA)
where:
Base-Base interactions energy: -88.733
where: short stacking energy: -37.164
Base-Backbone interact. energy: -0.101
local terms energy: -59.770502
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -101.763990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.763990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.763990 (E_RNA)
where:
Base-Base interactions energy: -40.582
where: short stacking energy: -40.552
Base-Backbone interact. energy: -0.126
local terms energy: -61.055854
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -84.039015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.039015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.039015 (E_RNA)
where:
Base-Base interactions energy: -36.107
where: short stacking energy: -36.107
Base-Backbone interact. energy: -0.226
local terms energy: -47.706936
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -3.579
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -100.687516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.687516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.687516 (E_RNA)
where:
Base-Base interactions energy: -44.891
where: short stacking energy: -40.512
Base-Backbone interact. energy: -0.093
local terms energy: -55.703420
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -84.360999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.360999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.360999 (E_RNA)
where:
Base-Base interactions energy: -37.171
where: short stacking energy: -35.726
Base-Backbone interact. energy: 0.048
local terms energy: -47.238024
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -71.504281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.504281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.504281 (E_RNA)
where:
Base-Base interactions energy: -26.550
where: short stacking energy: -16.967
Base-Backbone interact. energy: -0.664
local terms energy: -44.289431
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -219.912306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.912306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.912306 (E_RNA)
where:
Base-Base interactions energy: -143.674
where: short stacking energy: -65.478
Base-Backbone interact. energy: -0.419
local terms energy: -75.818799
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -192.034369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.034369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.034369 (E_RNA)
where:
Base-Base interactions energy: -115.483
where: short stacking energy: -59.329
Base-Backbone interact. energy: -0.011
local terms energy: -76.541005
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -197.357156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.357156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.357156 (E_RNA)
where:
Base-Base interactions energy: -132.584
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.070
local terms energy: -64.703914
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -164.567173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.567173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.567173 (E_RNA)
where:
Base-Base interactions energy: -102.844
where: short stacking energy: -60.838
Base-Backbone interact. energy: -0.173
local terms energy: -61.550319
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -12.564
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: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -148.967457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.967457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.967457 (E_RNA)
where:
Base-Base interactions energy: -88.672
where: short stacking energy: -50.406
Base-Backbone interact. energy: 0.024
local terms energy: -60.319526
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -9.458
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: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -98.051726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.051726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.051726 (E_RNA)
where:
Base-Base interactions energy: -44.357
where: short stacking energy: -40.271
Base-Backbone interact. energy: -0.369
local terms energy: -53.326053
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -7.216
flat angles P-C4'-P energy: -10.975
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: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -100.623369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.623369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.623369 (E_RNA)
where:
Base-Base interactions energy: -48.467
where: short stacking energy: -42.879
Base-Backbone interact. energy: -0.067
local terms energy: -52.089153
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -83.581230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.581230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.581230 (E_RNA)
where:
Base-Base interactions energy: -33.450
where: short stacking energy: -31.888
Base-Backbone interact. energy: -0.092
local terms energy: -50.038406
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -5.152
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: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -95.139154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.139154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.139154 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -24.647
Base-Backbone interact. energy: 0.060
local terms energy: -57.412986
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -9.970
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: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -74.040902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.040902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.040902 (E_RNA)
where:
Base-Base interactions energy: -32.353
where: short stacking energy: -23.784
Base-Backbone interact. energy: -0.181
local terms energy: -41.507502
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -4.400
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: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -216.983543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.983543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.983543 (E_RNA)
where:
Base-Base interactions energy: -135.529
where: short stacking energy: -72.824
Base-Backbone interact. energy: -0.043
local terms energy: -81.411923
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -187.209818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.209818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.209818 (E_RNA)
where:
Base-Base interactions energy: -122.027
where: short stacking energy: -46.128
Base-Backbone interact. energy: -0.230
local terms energy: -64.952622
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -11.704
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: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -175.400370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.400370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.400370 (E_RNA)
where:
Base-Base interactions energy: -114.504
where: short stacking energy: -60.875
Base-Backbone interact. energy: 1.052
local terms energy: -61.948233
where:
bonds (distance) C4'-P energy: -7.570
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.383
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: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -177.817628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.817628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.817628 (E_RNA)
where:
Base-Base interactions energy: -118.841
where: short stacking energy: -49.567
Base-Backbone interact. energy: -0.439
local terms energy: -58.537754
where:
bonds (distance) C4'-P energy: -7.304
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -8.209
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: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -103.782143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.782143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.782143 (E_RNA)
where:
Base-Base interactions energy: -51.200
where: short stacking energy: -30.291
Base-Backbone interact. energy: -0.051
local terms energy: -52.531416
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -151.313857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.313857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.313857 (E_RNA)
where:
Base-Base interactions energy: -92.949
where: short stacking energy: -46.469
Base-Backbone interact. energy: 0.398
local terms energy: -58.762896
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -96.718381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.718381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.718381 (E_RNA)
where:
Base-Base interactions energy: -41.977
where: short stacking energy: -38.913
Base-Backbone interact. energy: -0.011
local terms energy: -54.731122
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -85.861584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.861584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.861584 (E_RNA)
where:
Base-Base interactions energy: -37.726
where: short stacking energy: -24.304
Base-Backbone interact. energy: -0.098
local terms energy: -48.038041
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -83.567137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.567137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.567137 (E_RNA)
where:
Base-Base interactions energy: -39.195
where: short stacking energy: -29.358
Base-Backbone interact. energy: -0.937
local terms energy: -43.434460
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -79.744315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.744315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.744315 (E_RNA)
where:
Base-Base interactions energy: -30.670
where: short stacking energy: -26.380
Base-Backbone interact. energy: -0.092
local terms energy: -48.982036
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -8.829
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -2.150
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: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -221.101649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.101649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.101649 (E_RNA)
where:
Base-Base interactions energy: -139.787
where: short stacking energy: -68.971
Base-Backbone interact. energy: -0.094
local terms energy: -81.220689
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -22.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -200.986805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.986805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.986805 (E_RNA)
where:
Base-Base interactions energy: -131.355
where: short stacking energy: -55.567
Base-Backbone interact. energy: 0.009
local terms energy: -69.640395
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -179.371885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.371885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.371885 (E_RNA)
where:
Base-Base interactions energy: -110.938
where: short stacking energy: -65.784
Base-Backbone interact. energy: -0.137
local terms energy: -68.296408
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -14.048
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: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -173.336737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.336737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.336737 (E_RNA)
where:
Base-Base interactions energy: -106.762
where: short stacking energy: -53.420
Base-Backbone interact. energy: -1.567
local terms energy: -65.008144
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -111.167472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.167472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.167472 (E_RNA)
where:
Base-Base interactions energy: -46.365
where: short stacking energy: -35.969
Base-Backbone interact. energy: -0.050
local terms energy: -64.751944
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -164.244576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.244576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.244576 (E_RNA)
where:
Base-Base interactions energy: -104.060
where: short stacking energy: -48.617
Base-Backbone interact. energy: -0.096
local terms energy: -60.089484
where:
bonds (distance) C4'-P energy: -6.779
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -110.470233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.470233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.470233 (E_RNA)
where:
Base-Base interactions energy: -63.182
where: short stacking energy: -25.716
Base-Backbone interact. energy: -0.715
local terms energy: -46.572457
where:
bonds (distance) C4'-P energy: -8.226
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: 0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -80.125987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.125987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.125987 (E_RNA)
where:
Base-Base interactions energy: -32.048
where: short stacking energy: -14.614
Base-Backbone interact. energy: 1.225
local terms energy: -49.303369
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -7.372
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -84.557811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.557811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.557811 (E_RNA)
where:
Base-Base interactions energy: -32.783
where: short stacking energy: -32.783
Base-Backbone interact. energy: 0.849
local terms energy: -52.623473
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -75.639048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.639048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.639048 (E_RNA)
where:
Base-Base interactions energy: -27.560
where: short stacking energy: -25.921
Base-Backbone interact. energy: 2.631
local terms energy: -50.710151
where:
bonds (distance) C4'-P energy: -8.737
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -219.284021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.284021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.284021 (E_RNA)
where:
Base-Base interactions energy: -136.409
where: short stacking energy: -70.428
Base-Backbone interact. energy: -0.259
local terms energy: -82.616263
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -194.905993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.905993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.905993 (E_RNA)
where:
Base-Base interactions energy: -121.645
where: short stacking energy: -56.274
Base-Backbone interact. energy: -0.065
local terms energy: -73.196110
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -16.315
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: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -175.055106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.055106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.055106 (E_RNA)
where:
Base-Base interactions energy: -103.320
where: short stacking energy: -53.620
Base-Backbone interact. energy: -0.002
local terms energy: -71.733259
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -15.960
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: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -170.990188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.990188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.990188 (E_RNA)
where:
Base-Base interactions energy: -106.849
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.072
local terms energy: -64.069112
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -13.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -160.463822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.463822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.463822 (E_RNA)
where:
Base-Base interactions energy: -93.247
where: short stacking energy: -51.144
Base-Backbone interact. energy: 0.116
local terms energy: -67.332286
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -95.866618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.866618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.866618 (E_RNA)
where:
Base-Base interactions energy: -44.268
where: short stacking energy: -36.014
Base-Backbone interact. energy: -0.206
local terms energy: -51.391761
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -155.491282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.491282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.491282 (E_RNA)
where:
Base-Base interactions energy: -99.449
where: short stacking energy: -41.851
Base-Backbone interact. energy: -0.299
local terms energy: -55.742697
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -118.225271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.225271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.225271 (E_RNA)
where:
Base-Base interactions energy: -70.673
where: short stacking energy: -45.190
Base-Backbone interact. energy: -0.115
local terms energy: -47.437996
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -7.886
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -88.105450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.105450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.105450 (E_RNA)
where:
Base-Base interactions energy: -39.984
where: short stacking energy: -31.164
Base-Backbone interact. energy: -0.068
local terms energy: -48.054424
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -79.970837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.970837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.970837 (E_RNA)
where:
Base-Base interactions energy: -35.054
where: short stacking energy: -28.484
Base-Backbone interact. energy: -0.167
local terms energy: -44.749848
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -2.620
tors. eta vs tors. theta energy: 1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -218.583968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.583968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.583968 (E_RNA)
where:
Base-Base interactions energy: -139.953
where: short stacking energy: -64.942
Base-Backbone interact. energy: -0.035
local terms energy: -78.595661
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -20.016
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: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -196.533410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.533410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.533410 (E_RNA)
where:
Base-Base interactions energy: -130.024
where: short stacking energy: -69.741
Base-Backbone interact. energy: 0.706
local terms energy: -67.215818
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -188.157044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.157044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.157044 (E_RNA)
where:
Base-Base interactions energy: -118.405
where: short stacking energy: -68.417
Base-Backbone interact. energy: -0.041
local terms energy: -69.711184
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -10.721
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: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -167.210689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.210689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.210689 (E_RNA)
where:
Base-Base interactions energy: -108.322
where: short stacking energy: -60.173
Base-Backbone interact. energy: -0.634
local terms energy: -58.255018
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -9.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -154.780529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.780529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.780529 (E_RNA)
where:
Base-Base interactions energy: -109.349
where: short stacking energy: -39.347
Base-Backbone interact. energy: -0.212
local terms energy: -45.219277
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -9.459
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -165.304629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.304629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.304629 (E_RNA)
where:
Base-Base interactions energy: -105.613
where: short stacking energy: -44.757
Base-Backbone interact. energy: -0.004
local terms energy: -59.687717
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -108.993690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.993690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.993690 (E_RNA)
where:
Base-Base interactions energy: -49.422
where: short stacking energy: -49.422
Base-Backbone interact. energy: -0.004
local terms energy: -59.568467
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -104.527736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.527736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.527736 (E_RNA)
where:
Base-Base interactions energy: -51.225
where: short stacking energy: -25.940
Base-Backbone interact. energy: -0.085
local terms energy: -53.217784
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -1.789
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -84.351839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.351839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.351839 (E_RNA)
where:
Base-Base interactions energy: -39.764
where: short stacking energy: -23.994
Base-Backbone interact. energy: -0.514
local terms energy: -44.073306
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -78.480035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.480035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.480035 (E_RNA)
where:
Base-Base interactions energy: -30.505
where: short stacking energy: -30.505
Base-Backbone interact. energy: -0.199
local terms energy: -47.775957
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -201.664210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.664210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.664210 (E_RNA)
where:
Base-Base interactions energy: -142.962
where: short stacking energy: -73.287
Base-Backbone interact. energy: 0.086
local terms energy: -58.787713
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -16.018
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: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -208.761032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.761032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.761032 (E_RNA)
where:
Base-Base interactions energy: -134.942
where: short stacking energy: -66.685
Base-Backbone interact. energy: -0.003
local terms energy: -73.816202
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -164.639473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.639473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.639473 (E_RNA)
where:
Base-Base interactions energy: -104.424
where: short stacking energy: -53.264
Base-Backbone interact. energy: -0.085
local terms energy: -60.131052
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -160.082589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.082589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.082589 (E_RNA)
where:
Base-Base interactions energy: -96.446
where: short stacking energy: -47.633
Base-Backbone interact. energy: -0.084
local terms energy: -63.552217
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -8.303
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: 86
Temperature: 1.100000
Total energy: -161.996068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.996068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.996068 (E_RNA)
where:
Base-Base interactions energy: -99.805
where: short stacking energy: -54.588
Base-Backbone interact. energy: -0.421
local terms energy: -61.769647
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -151.095417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.095417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.095417 (E_RNA)
where:
Base-Base interactions energy: -87.323
where: short stacking energy: -49.784
Base-Backbone interact. energy: -0.061
local terms energy: -63.711428
where:
bonds (distance) C4'-P energy: -9.352
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -10.178
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: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -100.882761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.882761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.882761 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -35.287
Base-Backbone interact. energy: -0.348
local terms energy: -63.970945
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -14.346
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: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -87.757218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.757218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.757218 (E_RNA)
where:
Base-Base interactions energy: -39.450
where: short stacking energy: -29.453
Base-Backbone interact. energy: -0.012
local terms energy: -48.295452
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -8.041
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -80.332577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.332577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.332577 (E_RNA)
where:
Base-Base interactions energy: -25.993
where: short stacking energy: -18.920
Base-Backbone interact. energy: -0.443
local terms energy: -53.896026
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: 1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -73.249330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.249330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.249330 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -26.170
Base-Backbone interact. energy: -0.151
local terms energy: -41.106844
where:
bonds (distance) C4'-P energy: -6.373
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -204.765057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.765057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.765057 (E_RNA)
where:
Base-Base interactions energy: -132.442
where: short stacking energy: -69.100
Base-Backbone interact. energy: -0.128
local terms energy: -72.194344
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -17.085
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: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -210.527303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.527303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.527303 (E_RNA)
where:
Base-Base interactions energy: -138.799
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.396
local terms energy: -71.332272
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -177.483789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.483789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.483789 (E_RNA)
where:
Base-Base interactions energy: -109.079
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.080
local terms energy: -68.325218
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -177.910058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.910058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.910058 (E_RNA)
where:
Base-Base interactions energy: -107.808
where: short stacking energy: -65.022
Base-Backbone interact. energy: -0.099
local terms energy: -70.003240
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -152.322706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.322706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.322706 (E_RNA)
where:
Base-Base interactions energy: -97.278
where: short stacking energy: -44.884
Base-Backbone interact. energy: -0.179
local terms energy: -54.864915
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -161.378977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.378977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.378977 (E_RNA)
where:
Base-Base interactions energy: -112.883
where: short stacking energy: -45.055
Base-Backbone interact. energy: 0.067
local terms energy: -48.563358
where:
bonds (distance) C4'-P energy: -5.961
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -11.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -88.806617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.806617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.806617 (E_RNA)
where:
Base-Base interactions energy: -35.013
where: short stacking energy: -34.612
Base-Backbone interact. energy: 0.259
local terms energy: -54.052633
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -9.036
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: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -89.800927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.800927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.800927 (E_RNA)
where:
Base-Base interactions energy: -38.647
where: short stacking energy: -38.647
Base-Backbone interact. energy: 0.340
local terms energy: -51.493949
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -8.923
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -80.668874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.668874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.668874 (E_RNA)
where:
Base-Base interactions energy: -24.601
where: short stacking energy: -23.634
Base-Backbone interact. energy: -0.055
local terms energy: -56.012357
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -74.390563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.390563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.390563 (E_RNA)
where:
Base-Base interactions energy: -28.553
where: short stacking energy: -28.553
Base-Backbone interact. energy: 0.632
local terms energy: -46.469553
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -5.523
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: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -211.164054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.164054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.164054 (E_RNA)
where:
Base-Base interactions energy: -135.336
where: short stacking energy: -73.319
Base-Backbone interact. energy: -0.054
local terms energy: -75.774423
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -209.433831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.433831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.433831 (E_RNA)
where:
Base-Base interactions energy: -133.736
where: short stacking energy: -66.890
Base-Backbone interact. energy: -0.003
local terms energy: -75.694189
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -20.744
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: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -174.845245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.845245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.845245 (E_RNA)
where:
Base-Base interactions energy: -101.149
where: short stacking energy: -61.562
Base-Backbone interact. energy: 0.266
local terms energy: -73.961948
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -19.827
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: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -183.303286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.303286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.303286 (E_RNA)
where:
Base-Base interactions energy: -115.156
where: short stacking energy: -49.516
Base-Backbone interact. energy: -0.034
local terms energy: -68.113577
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -11.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -171.765864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.765864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.765864 (E_RNA)
where:
Base-Base interactions energy: -107.675
where: short stacking energy: -47.275
Base-Backbone interact. energy: -0.105
local terms energy: -63.985810
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -9.728
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: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -137.072220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.072220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.072220 (E_RNA)
where:
Base-Base interactions energy: -84.768
where: short stacking energy: -48.371
Base-Backbone interact. energy: 4.339
local terms energy: -56.642392
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -116.790058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.790058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.790058 (E_RNA)
where:
Base-Base interactions energy: -62.132
where: short stacking energy: -38.390
Base-Backbone interact. energy: -0.737
local terms energy: -53.921607
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -6.132
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: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -85.929017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.929017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.929017 (E_RNA)
where:
Base-Base interactions energy: -30.396
where: short stacking energy: -26.766
Base-Backbone interact. energy: -0.766
local terms energy: -54.766682
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -83.319034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.319034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.319034 (E_RNA)
where:
Base-Base interactions energy: -38.283
where: short stacking energy: -21.340
Base-Backbone interact. energy: -0.460
local terms energy: -44.575862
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: 0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -85.688466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.688466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.688466 (E_RNA)
where:
Base-Base interactions energy: -37.688
where: short stacking energy: -32.846
Base-Backbone interact. energy: -0.268
local terms energy: -47.733149
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -196.865091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.865091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.865091 (E_RNA)
where:
Base-Base interactions energy: -127.927
where: short stacking energy: -69.441
Base-Backbone interact. energy: 0.046
local terms energy: -68.983593
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -183.235947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.235947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.235947 (E_RNA)
where:
Base-Base interactions energy: -118.249
where: short stacking energy: -69.142
Base-Backbone interact. energy: -0.103
local terms energy: -64.884401
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -207.303661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.303661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.303661 (E_RNA)
where:
Base-Base interactions energy: -134.168
where: short stacking energy: -72.008
Base-Backbone interact. energy: -0.326
local terms energy: -72.810107
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -206.314994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.314994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.314994 (E_RNA)
where:
Base-Base interactions energy: -138.211
where: short stacking energy: -58.999
Base-Backbone interact. energy: 1.620
local terms energy: -69.724083
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -12.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -178.596291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.596291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.596291 (E_RNA)
where:
Base-Base interactions energy: -113.457
where: short stacking energy: -57.350
Base-Backbone interact. energy: -0.091
local terms energy: -65.048289
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -135.402901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.402901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.402901 (E_RNA)
where:
Base-Base interactions energy: -73.668
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.645
local terms energy: -61.089855
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -103.175680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.175680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.175680 (E_RNA)
where:
Base-Base interactions energy: -48.637
where: short stacking energy: -47.075
Base-Backbone interact. energy: -0.028
local terms energy: -54.510452
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -6.946
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: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -93.892585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.892585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.892585 (E_RNA)
where:
Base-Base interactions energy: -45.270
where: short stacking energy: -27.982
Base-Backbone interact. energy: -0.304
local terms energy: -48.318501
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -8.573
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: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -75.952604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.952604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.952604 (E_RNA)
where:
Base-Base interactions energy: -21.314
where: short stacking energy: -20.229
Base-Backbone interact. energy: -0.128
local terms energy: -54.510491
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -83.949677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.949677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.949677 (E_RNA)
where:
Base-Base interactions energy: -35.442
where: short stacking energy: -29.677
Base-Backbone interact. energy: -0.025
local terms energy: -48.482396
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -202.905226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.905226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.905226 (E_RNA)
where:
Base-Base interactions energy: -125.317
where: short stacking energy: -67.173
Base-Backbone interact. energy: -0.001
local terms energy: -77.587346
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -186.863105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.863105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.863105 (E_RNA)
where:
Base-Base interactions energy: -116.793
where: short stacking energy: -61.045
Base-Backbone interact. energy: -1.052
local terms energy: -69.018813
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.921
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: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -201.013671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.013671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.013671 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -59.563
Base-Backbone interact. energy: -0.537
local terms energy: -65.260401
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -189.271235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.271235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.271235 (E_RNA)
where:
Base-Base interactions energy: -124.463
where: short stacking energy: -59.044
Base-Backbone interact. energy: -0.082
local terms energy: -64.726558
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -7.181
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: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -145.307417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.307417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.307417 (E_RNA)
where:
Base-Base interactions energy: -86.238
where: short stacking energy: -48.669
Base-Backbone interact. energy: -0.198
local terms energy: -58.871575
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -8.055
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: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -100.321719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.321719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.321719 (E_RNA)
where:
Base-Base interactions energy: -53.712
where: short stacking energy: -34.575
Base-Backbone interact. energy: 0.561
local terms energy: -47.170522
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -108.180905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.180905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.180905 (E_RNA)
where:
Base-Base interactions energy: -53.539
where: short stacking energy: -43.363
Base-Backbone interact. energy: -0.095
local terms energy: -54.547152
where:
bonds (distance) C4'-P energy: -7.595
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -10.859
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: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -89.845043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.845043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.845043 (E_RNA)
where:
Base-Base interactions energy: -38.840
where: short stacking energy: -36.838
Base-Backbone interact. energy: -0.042
local terms energy: -50.962979
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -9.523
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: 9, replica: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -84.256243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.256243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.256243 (E_RNA)
where:
Base-Base interactions energy: -34.477
where: short stacking energy: -34.477
Base-Backbone interact. energy: -0.390
local terms energy: -49.388734
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -7.786
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -78.495669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.495669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.495669 (E_RNA)
where:
Base-Base interactions energy: -41.115
where: short stacking energy: -31.628
Base-Backbone interact. energy: -0.176
local terms energy: -37.204457
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -6.899
flat angles C4'-P-C4' energy: -6.537
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -7.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -190.120866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.120866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.120866 (E_RNA)
where:
Base-Base interactions energy: -120.172
where: short stacking energy: -71.267
Base-Backbone interact. energy: -0.086
local terms energy: -69.862728
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -16.703
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: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -209.192111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.192111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.192111 (E_RNA)
where:
Base-Base interactions energy: -137.051
where: short stacking energy: -66.531
Base-Backbone interact. energy: 0.610
local terms energy: -72.750518
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -18.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -182.550880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.550880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.550880 (E_RNA)
where:
Base-Base interactions energy: -105.320
where: short stacking energy: -63.759
Base-Backbone interact. energy: -0.009
local terms energy: -77.222620
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -172.694447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.694447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.694447 (E_RNA)
where:
Base-Base interactions energy: -107.590
where: short stacking energy: -55.143
Base-Backbone interact. energy: -0.756
local terms energy: -64.347786
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -12.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -185.507003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.507003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.507003 (E_RNA)
where:
Base-Base interactions energy: -118.165
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.615
local terms energy: -66.726974
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -89.484025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.484025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.484025 (E_RNA)
where:
Base-Base interactions energy: -43.566
where: short stacking energy: -33.984
Base-Backbone interact. energy: -0.110
local terms energy: -45.808010
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -96.378877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.378877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.378877 (E_RNA)
where:
Base-Base interactions energy: -34.293
where: short stacking energy: -27.433
Base-Backbone interact. energy: -0.102
local terms energy: -61.983469
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -85.060479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.060479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.060479 (E_RNA)
where:
Base-Base interactions energy: -35.418
where: short stacking energy: -29.797
Base-Backbone interact. energy: -0.236
local terms energy: -49.406205
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -92.245223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.245223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.245223 (E_RNA)
where:
Base-Base interactions energy: -36.488
where: short stacking energy: -36.488
Base-Backbone interact. energy: -0.119
local terms energy: -55.638324
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -77.814142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.814142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.814142 (E_RNA)
where:
Base-Base interactions energy: -25.809
where: short stacking energy: -23.545
Base-Backbone interact. energy: -0.127
local terms energy: -51.877521
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -4.772
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: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -213.039090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.039090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.039090 (E_RNA)
where:
Base-Base interactions energy: -138.916
where: short stacking energy: -76.089
Base-Backbone interact. energy: -0.003
local terms energy: -74.120190
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -169.704182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.704182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.704182 (E_RNA)
where:
Base-Base interactions energy: -110.820
where: short stacking energy: -53.225
Base-Backbone interact. energy: -0.400
local terms energy: -58.484977
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -178.082791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.082791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.082791 (E_RNA)
where:
Base-Base interactions energy: -118.070
where: short stacking energy: -58.018
Base-Backbone interact. energy: -0.181
local terms energy: -59.831770
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -15.335
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: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -180.576779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.576779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.576779 (E_RNA)
where:
Base-Base interactions energy: -101.731
where: short stacking energy: -67.207
Base-Backbone interact. energy: -0.067
local terms energy: -78.779295
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -164.340854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.340854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.340854 (E_RNA)
where:
Base-Base interactions energy: -97.795
where: short stacking energy: -54.837
Base-Backbone interact. energy: -0.099
local terms energy: -66.447545
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -105.506777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.506777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.506777 (E_RNA)
where:
Base-Base interactions energy: -56.139
where: short stacking energy: -38.254
Base-Backbone interact. energy: -0.114
local terms energy: -49.253604
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -94.775694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.775694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.775694 (E_RNA)
where:
Base-Base interactions energy: -53.506
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.219
local terms energy: -41.050302
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -4.384
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: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -89.475893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.475893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.475893 (E_RNA)
where:
Base-Base interactions energy: -30.344
where: short stacking energy: -26.106
Base-Backbone interact. energy: -0.273
local terms energy: -58.859605
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -90.981238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.981238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.981238 (E_RNA)
where:
Base-Base interactions energy: -41.034
where: short stacking energy: -31.174
Base-Backbone interact. energy: -0.015
local terms energy: -49.932481
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -9.614
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -83.225022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.225022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.225022 (E_RNA)
where:
Base-Base interactions energy: -36.940
where: short stacking energy: -32.113
Base-Backbone interact. energy: -0.080
local terms energy: -46.204830
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -219.120569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.120569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.120569 (E_RNA)
where:
Base-Base interactions energy: -140.475
where: short stacking energy: -71.200
Base-Backbone interact. energy: -0.062
local terms energy: -78.583918
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -199.926326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.926326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.926326 (E_RNA)
where:
Base-Base interactions energy: -130.963
where: short stacking energy: -60.974
Base-Backbone interact. energy: -0.388
local terms energy: -68.575475
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -190.659316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.659316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.659316 (E_RNA)
where:
Base-Base interactions energy: -117.100
where: short stacking energy: -64.737
Base-Backbone interact. energy: -0.009
local terms energy: -73.550428
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -19.163
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: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -158.587539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.587539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.587539 (E_RNA)
where:
Base-Base interactions energy: -94.544
where: short stacking energy: -43.731
Base-Backbone interact. energy: 0.104
local terms energy: -64.147315
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -7.932
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: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -174.450322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.450322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.450322 (E_RNA)
where:
Base-Base interactions energy: -102.518
where: short stacking energy: -60.327
Base-Backbone interact. energy: -0.012
local terms energy: -71.920567
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -140.919875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.919875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.919875 (E_RNA)
where:
Base-Base interactions energy: -82.332
where: short stacking energy: -48.217
Base-Backbone interact. energy: -0.102
local terms energy: -58.486392
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -92.205670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.205670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.205670 (E_RNA)
where:
Base-Base interactions energy: -39.472
where: short stacking energy: -30.920
Base-Backbone interact. energy: -0.045
local terms energy: -52.688313
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -8.927
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: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -84.337484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.337484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.337484 (E_RNA)
where:
Base-Base interactions energy: -33.555
where: short stacking energy: -31.474
Base-Backbone interact. energy: -0.010
local terms energy: -50.771715
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -80.139584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.139584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.139584 (E_RNA)
where:
Base-Base interactions energy: -35.719
where: short stacking energy: -27.986
Base-Backbone interact. energy: -1.633
local terms energy: -42.788228
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: 1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -80.383194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.383194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.383194 (E_RNA)
where:
Base-Base interactions energy: -33.127
where: short stacking energy: -28.540
Base-Backbone interact. energy: -1.066
local terms energy: -46.190689
where:
bonds (distance) C4'-P energy: -7.057
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -2.331
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: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -198.735587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.735587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.735587 (E_RNA)
where:
Base-Base interactions energy: -133.409
where: short stacking energy: -54.872
Base-Backbone interact. energy: -0.086
local terms energy: -65.240283
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -8.322
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: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -211.992783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.992783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.992783 (E_RNA)
where:
Base-Base interactions energy: -137.078
where: short stacking energy: -63.052
Base-Backbone interact. energy: -0.814
local terms energy: -74.100632
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -196.285350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.285350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.285350 (E_RNA)
where:
Base-Base interactions energy: -126.587
where: short stacking energy: -49.563
Base-Backbone interact. energy: -0.153
local terms energy: -69.545541
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -179.509031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.509031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.509031 (E_RNA)
where:
Base-Base interactions energy: -105.334
where: short stacking energy: -57.448
Base-Backbone interact. energy: -0.043
local terms energy: -74.132031
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -13.451
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: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -149.662742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.662742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.662742 (E_RNA)
where:
Base-Base interactions energy: -90.194
where: short stacking energy: -50.302
Base-Backbone interact. energy: -0.317
local terms energy: -59.151348
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -7.316
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: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -147.590221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.590221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.590221 (E_RNA)
where:
Base-Base interactions energy: -83.327
where: short stacking energy: -47.674
Base-Backbone interact. energy: -0.107
local terms energy: -64.156795
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -11.564
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: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -98.610140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.610140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.610140 (E_RNA)
where:
Base-Base interactions energy: -47.907
where: short stacking energy: -35.290
Base-Backbone interact. energy: -0.120
local terms energy: -50.583223
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -5.593
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: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -102.913640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.913640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.913640 (E_RNA)
where:
Base-Base interactions energy: -55.122
where: short stacking energy: -37.196
Base-Backbone interact. energy: 1.036
local terms energy: -48.827666
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: 0.905
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -80.572471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.572471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.572471 (E_RNA)
where:
Base-Base interactions energy: -34.230
where: short stacking energy: -34.206
Base-Backbone interact. energy: 0.430
local terms energy: -46.772309
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -7.615
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -89.099155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.099155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.099155 (E_RNA)
where:
Base-Base interactions energy: -47.914
where: short stacking energy: -19.606
Base-Backbone interact. energy: -0.014
local terms energy: -41.171690
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -8.706
flat angles C4'-P-C4' energy: -4.675
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -206.553123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.553123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.553123 (E_RNA)
where:
Base-Base interactions energy: -132.018
where: short stacking energy: -58.915
Base-Backbone interact. energy: -0.105
local terms energy: -74.429439
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -16.225
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: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -190.047574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.047574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.047574 (E_RNA)
where:
Base-Base interactions energy: -123.870
where: short stacking energy: -62.259
Base-Backbone interact. energy: -0.001
local terms energy: -66.176687
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -15.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -192.596355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.596355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.596355 (E_RNA)
where:
Base-Base interactions energy: -130.079
where: short stacking energy: -53.354
Base-Backbone interact. energy: 0.297
local terms energy: -62.815150
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -168.994151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.994151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.994151 (E_RNA)
where:
Base-Base interactions energy: -105.992
where: short stacking energy: -65.530
Base-Backbone interact. energy: -0.015
local terms energy: -62.987278
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -160.578975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.578975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.578975 (E_RNA)
where:
Base-Base interactions energy: -98.514
where: short stacking energy: -52.218
Base-Backbone interact. energy: -0.251
local terms energy: -61.813608
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -171.282718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.282718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.282718 (E_RNA)
where:
Base-Base interactions energy: -116.872
where: short stacking energy: -51.611
Base-Backbone interact. energy: -0.927
local terms energy: -53.483524
where:
bonds (distance) C4'-P energy: -9.020
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -97.226522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.226522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.226522 (E_RNA)
where:
Base-Base interactions energy: -42.118
where: short stacking energy: -40.746
Base-Backbone interact. energy: -0.079
local terms energy: -55.029328
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -10.281
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: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -84.961248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.961248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.961248 (E_RNA)
where:
Base-Base interactions energy: -42.965
where: short stacking energy: -31.835
Base-Backbone interact. energy: -0.082
local terms energy: -41.914325
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -5.116
flat angles P-C4'-P energy: -8.675
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: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -82.817142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.817142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.817142 (E_RNA)
where:
Base-Base interactions energy: -34.776
where: short stacking energy: -32.515
Base-Backbone interact. energy: 0.147
local terms energy: -48.188904
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -80.974817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.974817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.974817 (E_RNA)
where:
Base-Base interactions energy: -28.740
where: short stacking energy: -28.740
Base-Backbone interact. energy: -0.039
local terms energy: -52.195827
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -191.690795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.690795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.690795 (E_RNA)
where:
Base-Base interactions energy: -115.501
where: short stacking energy: -53.148
Base-Backbone interact. energy: -0.007
local terms energy: -76.183228
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -193.093926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.093926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.093926 (E_RNA)
where:
Base-Base interactions energy: -126.278
where: short stacking energy: -62.649
Base-Backbone interact. energy: -0.020
local terms energy: -66.795273
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -199.518954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.518954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.518954 (E_RNA)
where:
Base-Base interactions energy: -126.156
where: short stacking energy: -60.667
Base-Backbone interact. energy: -0.005
local terms energy: -73.358382
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -153.738971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.738971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.738971 (E_RNA)
where:
Base-Base interactions energy: -86.825
where: short stacking energy: -55.867
Base-Backbone interact. energy: -0.043
local terms energy: -66.871217
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -181.042672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.042672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.042672 (E_RNA)
where:
Base-Base interactions energy: -120.302
where: short stacking energy: -49.873
Base-Backbone interact. energy: -0.407
local terms energy: -60.333732
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -162.750588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.750588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.750588 (E_RNA)
where:
Base-Base interactions energy: -100.679
where: short stacking energy: -56.291
Base-Backbone interact. energy: 2.445
local terms energy: -64.516526
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -10.997
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: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -86.757960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.757960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.757960 (E_RNA)
where:
Base-Base interactions energy: -31.740
where: short stacking energy: -29.572
Base-Backbone interact. energy: -0.059
local terms energy: -54.959389
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -10.160
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: 96
Temperature: 1.250000
Total energy: -91.037703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.037703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.037703 (E_RNA)
where:
Base-Base interactions energy: -37.483
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.645
local terms energy: -52.910310
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -76.391808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.391808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.391808 (E_RNA)
where:
Base-Base interactions energy: -31.523
where: short stacking energy: -20.237
Base-Backbone interact. energy: -0.620
local terms energy: -44.249463
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: 1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -80.935300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.935300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.935300 (E_RNA)
where:
Base-Base interactions energy: -28.167
where: short stacking energy: -22.984
Base-Backbone interact. energy: 0.734
local terms energy: -53.502624
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: 0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -215.436868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.436868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.436868 (E_RNA)
where:
Base-Base interactions energy: -142.471
where: short stacking energy: -57.416
Base-Backbone interact. energy: -0.194
local terms energy: -72.771935
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -206.455860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.455860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.455860 (E_RNA)
where:
Base-Base interactions energy: -124.339
where: short stacking energy: -64.100
Base-Backbone interact. energy: -0.001
local terms energy: -82.116040
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -189.011490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.011490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.011490 (E_RNA)
where:
Base-Base interactions energy: -124.975
where: short stacking energy: -52.483
Base-Backbone interact. energy: -0.272
local terms energy: -63.764912
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -8.351
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: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -160.192893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.192893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.192893 (E_RNA)
where:
Base-Base interactions energy: -94.513
where: short stacking energy: -37.400
Base-Backbone interact. energy: 1.171
local terms energy: -66.850406
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -171.884515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.884515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.884515 (E_RNA)
where:
Base-Base interactions energy: -99.574
where: short stacking energy: -59.132
Base-Backbone interact. energy: -0.029
local terms energy: -72.280991
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -171.091176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.091176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.091176 (E_RNA)
where:
Base-Base interactions energy: -114.797
where: short stacking energy: -55.838
Base-Backbone interact. energy: -0.272
local terms energy: -56.022392
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -98.497751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.497751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.497751 (E_RNA)
where:
Base-Base interactions energy: -53.619
where: short stacking energy: -44.096
Base-Backbone interact. energy: -0.155
local terms energy: -44.723824
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -8.612
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -89.162881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.162881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.162881 (E_RNA)
where:
Base-Base interactions energy: -38.877
where: short stacking energy: -23.009
Base-Backbone interact. energy: -0.175
local terms energy: -50.111129
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -100.952607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.952607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.952607 (E_RNA)
where:
Base-Base interactions energy: -56.952
where: short stacking energy: -26.861
Base-Backbone interact. energy: -0.151
local terms energy: -43.850069
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: 2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -79.116314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.116314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.116314 (E_RNA)
where:
Base-Base interactions energy: -30.724
where: short stacking energy: -30.924
Base-Backbone interact. energy: -0.043
local terms energy: -48.348398
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -215.911835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.911835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.911835 (E_RNA)
where:
Base-Base interactions energy: -146.485
where: short stacking energy: -61.970
Base-Backbone interact. energy: -0.135
local terms energy: -69.292521
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -206.436888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.436888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.436888 (E_RNA)
where:
Base-Base interactions energy: -129.633
where: short stacking energy: -54.792
Base-Backbone interact. energy: -0.037
local terms energy: -76.766285
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -190.778455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.778455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.778455 (E_RNA)
where:
Base-Base interactions energy: -108.566
where: short stacking energy: -65.393
Base-Backbone interact. energy: -0.100
local terms energy: -82.111915
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -11.113
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: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -159.436703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.436703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.436703 (E_RNA)
where:
Base-Base interactions energy: -99.031
where: short stacking energy: -50.389
Base-Backbone interact. energy: 1.140
local terms energy: -61.544983
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -10.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -172.519242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.519242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.519242 (E_RNA)
where:
Base-Base interactions energy: -103.951
where: short stacking energy: -58.117
Base-Backbone interact. energy: -0.200
local terms energy: -68.368208
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -164.074909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.074909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.074909 (E_RNA)
where:
Base-Base interactions energy: -99.796
where: short stacking energy: -53.532
Base-Backbone interact. energy: -0.074
local terms energy: -64.204507
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -90.783233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.783233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.783233 (E_RNA)
where:
Base-Base interactions energy: -48.816
where: short stacking energy: -33.095
Base-Backbone interact. energy: -0.160
local terms energy: -41.807590
where:
bonds (distance) C4'-P energy: -7.061
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: 0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -87.756577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.756577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.756577 (E_RNA)
where:
Base-Base interactions energy: -36.296
where: short stacking energy: -30.278
Base-Backbone interact. energy: 0.995
local terms energy: -52.454967
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -6.172
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: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -99.251915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.251915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.251915 (E_RNA)
where:
Base-Base interactions energy: -47.838
where: short stacking energy: -24.910
Base-Backbone interact. energy: 0.527
local terms energy: -51.940655
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -75.095718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.095718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.095718 (E_RNA)
where:
Base-Base interactions energy: -28.790
where: short stacking energy: -25.532
Base-Backbone interact. energy: -0.041
local terms energy: -46.264844
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -8.830
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: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -216.067659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.067659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.067659 (E_RNA)
where:
Base-Base interactions energy: -142.603
where: short stacking energy: -62.730
Base-Backbone interact. energy: 1.718
local terms energy: -75.182876
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -192.905507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.905507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.905507 (E_RNA)
where:
Base-Base interactions energy: -121.444
where: short stacking energy: -57.751
Base-Backbone interact. energy: -0.107
local terms energy: -71.354564
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -185.443917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.443917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.443917 (E_RNA)
where:
Base-Base interactions energy: -123.667
where: short stacking energy: -52.743
Base-Backbone interact. energy: 0.142
local terms energy: -61.918672
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -169.356286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.356286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.356286 (E_RNA)
where:
Base-Base interactions energy: -104.368
where: short stacking energy: -53.835
Base-Backbone interact. energy: -0.520
local terms energy: -64.467886
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -157.165474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.165474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.165474 (E_RNA)
where:
Base-Base interactions energy: -98.225
where: short stacking energy: -61.996
Base-Backbone interact. energy: 3.405
local terms energy: -62.345170
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -150.443576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.443576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.443576 (E_RNA)
where:
Base-Base interactions energy: -88.862
where: short stacking energy: -51.466
Base-Backbone interact. energy: 0.864
local terms energy: -62.445473
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -9.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -98.257117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.257117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.257117 (E_RNA)
where:
Base-Base interactions energy: -43.065
where: short stacking energy: -43.065
Base-Backbone interact. energy: -0.141
local terms energy: -55.051300
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -109.193016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.193016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.193016 (E_RNA)
where:
Base-Base interactions energy: -53.543
where: short stacking energy: -30.562
Base-Backbone interact. energy: -0.884
local terms energy: -54.766281
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -90.325520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.325520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.325520 (E_RNA)
where:
Base-Base interactions energy: -36.151
where: short stacking energy: -36.151
Base-Backbone interact. energy: -0.186
local terms energy: -53.987911
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -8.600
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -8.176
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: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -86.632920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.632920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.632920 (E_RNA)
where:
Base-Base interactions energy: -34.759
where: short stacking energy: -28.788
Base-Backbone interact. energy: -0.140
local terms energy: -51.734701
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: 1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -224.064308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.064308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.064308 (E_RNA)
where:
Base-Base interactions energy: -142.227
where: short stacking energy: -65.571
Base-Backbone interact. energy: 0.380
local terms energy: -82.217594
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -197.110374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.110374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.110374 (E_RNA)
where:
Base-Base interactions energy: -128.640
where: short stacking energy: -66.733
Base-Backbone interact. energy: -0.592
local terms energy: -67.877588
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -181.091763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.091763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.091763 (E_RNA)
where:
Base-Base interactions energy: -111.415
where: short stacking energy: -60.301
Base-Backbone interact. energy: -0.068
local terms energy: -69.608260
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -183.521860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.521860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.521860 (E_RNA)
where:
Base-Base interactions energy: -117.758
where: short stacking energy: -48.967
Base-Backbone interact. energy: -0.103
local terms energy: -65.660505
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -172.592923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.592923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.592923 (E_RNA)
where:
Base-Base interactions energy: -106.783
where: short stacking energy: -58.600
Base-Backbone interact. energy: -0.186
local terms energy: -65.624242
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -13.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -143.810119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.810119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.810119 (E_RNA)
where:
Base-Base interactions energy: -86.849
where: short stacking energy: -41.489
Base-Backbone interact. energy: -0.113
local terms energy: -56.847891
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -97.458622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.458622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.458622 (E_RNA)
where:
Base-Base interactions energy: -37.847
where: short stacking energy: -37.847
Base-Backbone interact. energy: -0.011
local terms energy: -59.600904
where:
bonds (distance) C4'-P energy: -6.594
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -12.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -90.297032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.297032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.297032 (E_RNA)
where:
Base-Base interactions energy: -38.904
where: short stacking energy: -26.869
Base-Backbone interact. energy: 0.682
local terms energy: -52.075667
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -83.645810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.645810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.645810 (E_RNA)
where:
Base-Base interactions energy: -36.806
where: short stacking energy: -36.806
Base-Backbone interact. energy: -0.010
local terms energy: -46.830149
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -89.677386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.677386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.677386 (E_RNA)
where:
Base-Base interactions energy: -36.120
where: short stacking energy: -36.120
Base-Backbone interact. energy: -0.038
local terms energy: -53.519092
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -3.735
tors. eta vs tors. theta energy: -7.059
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: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -216.778447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.778447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.778447 (E_RNA)
where:
Base-Base interactions energy: -137.167
where: short stacking energy: -62.774
Base-Backbone interact. energy: -0.040
local terms energy: -79.571177
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -200.070784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.070784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.070784 (E_RNA)
where:
Base-Base interactions energy: -128.076
where: short stacking energy: -63.973
Base-Backbone interact. energy: 0.200
local terms energy: -72.195214
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -177.612019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.612019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.612019 (E_RNA)
where:
Base-Base interactions energy: -112.758
where: short stacking energy: -61.704
Base-Backbone interact. energy: -0.004
local terms energy: -64.849807
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -172.914469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.914469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.914469 (E_RNA)
where:
Base-Base interactions energy: -105.389
where: short stacking energy: -59.893
Base-Backbone interact. energy: 0.174
local terms energy: -67.699538
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -162.519383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.519383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.519383 (E_RNA)
where:
Base-Base interactions energy: -101.013
where: short stacking energy: -51.672
Base-Backbone interact. energy: -0.167
local terms energy: -61.339013
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -11.595
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: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -155.568436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.568436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.568436 (E_RNA)
where:
Base-Base interactions energy: -94.614
where: short stacking energy: -49.991
Base-Backbone interact. energy: -1.853
local terms energy: -59.101615
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -110.663924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.663924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.663924 (E_RNA)
where:
Base-Base interactions energy: -63.753
where: short stacking energy: -40.252
Base-Backbone interact. energy: -1.459
local terms energy: -45.452053
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -2.982
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: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -90.619790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.619790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.619790 (E_RNA)
where:
Base-Base interactions energy: -34.484
where: short stacking energy: -34.434
Base-Backbone interact. energy: -0.125
local terms energy: -56.010857
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -82.043932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.043932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.043932 (E_RNA)
where:
Base-Base interactions energy: -31.624
where: short stacking energy: -29.223
Base-Backbone interact. energy: 1.456
local terms energy: -51.876332
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -5.762
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: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -77.861400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.861400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.861400 (E_RNA)
where:
Base-Base interactions energy: -40.783
where: short stacking energy: -25.830
Base-Backbone interact. energy: 0.197
local terms energy: -37.275073
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -10.159
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -2.277
tors. eta vs tors. theta energy: -0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -198.632023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.632023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.632023 (E_RNA)
where:
Base-Base interactions energy: -120.062
where: short stacking energy: -60.516
Base-Backbone interact. energy: -0.053
local terms energy: -78.517249
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -23.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -208.433942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.433942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.433942 (E_RNA)
where:
Base-Base interactions energy: -143.499
where: short stacking energy: -52.751
Base-Backbone interact. energy: -0.216
local terms energy: -64.718951
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -184.899836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.899836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.899836 (E_RNA)
where:
Base-Base interactions energy: -115.685
where: short stacking energy: -67.972
Base-Backbone interact. energy: -0.033
local terms energy: -69.181946
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -172.907468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.907468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.907468 (E_RNA)
where:
Base-Base interactions energy: -113.412
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.003
local terms energy: -59.492589
where:
bonds (distance) C4'-P energy: -5.995
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -9.810
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: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -148.942075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.942075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.942075 (E_RNA)
where:
Base-Base interactions energy: -87.696
where: short stacking energy: -43.850
Base-Backbone interact. energy: -0.051
local terms energy: -61.195177
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -152.195041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.195041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.195041 (E_RNA)
where:
Base-Base interactions energy: -92.641
where: short stacking energy: -52.517
Base-Backbone interact. energy: -1.088
local terms energy: -58.466049
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -82.557468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.557468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.557468 (E_RNA)
where:
Base-Base interactions energy: -41.898
where: short stacking energy: -13.773
Base-Backbone interact. energy: 1.516
local terms energy: -42.176355
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: 2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -98.681786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.681786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.681786 (E_RNA)
where:
Base-Base interactions energy: -45.979
where: short stacking energy: -32.604
Base-Backbone interact. energy: 0.396
local terms energy: -53.098623
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -82.403611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.403611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.403611 (E_RNA)
where:
Base-Base interactions energy: -26.804
where: short stacking energy: -25.782
Base-Backbone interact. energy: -0.098
local terms energy: -55.501650
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -6.082
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: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -76.628809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.628809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.628809 (E_RNA)
where:
Base-Base interactions energy: -28.055
where: short stacking energy: -23.816
Base-Backbone interact. energy: 1.161
local terms energy: -49.734971
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -203.787339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.787339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.787339 (E_RNA)
where:
Base-Base interactions energy: -129.808
where: short stacking energy: -67.700
Base-Backbone interact. energy: -0.298
local terms energy: -73.681484
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -18.650
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: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -212.329264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.329264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.329264 (E_RNA)
where:
Base-Base interactions energy: -135.080
where: short stacking energy: -63.765
Base-Backbone interact. energy: -0.150
local terms energy: -77.099418
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -180.627709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.627709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.627709 (E_RNA)
where:
Base-Base interactions energy: -110.487
where: short stacking energy: -65.249
Base-Backbone interact. energy: -0.008
local terms energy: -70.132677
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -166.074023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.074023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.074023 (E_RNA)
where:
Base-Base interactions energy: -97.252
where: short stacking energy: -51.409
Base-Backbone interact. energy: -0.107
local terms energy: -68.714968
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -13.891
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: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -166.797328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.797328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.797328 (E_RNA)
where:
Base-Base interactions energy: -99.267
where: short stacking energy: -57.750
Base-Backbone interact. energy: -0.271
local terms energy: -67.259109
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -152.917562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.917562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.917562 (E_RNA)
where:
Base-Base interactions energy: -99.892
where: short stacking energy: -44.100
Base-Backbone interact. energy: 0.301
local terms energy: -53.327056
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -6.221
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: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -104.968543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.968543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.968543 (E_RNA)
where:
Base-Base interactions energy: -45.910
where: short stacking energy: -31.696
Base-Backbone interact. energy: -0.117
local terms energy: -58.941714
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -5.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -88.503561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.503561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.503561 (E_RNA)
where:
Base-Base interactions energy: -32.412
where: short stacking energy: -29.212
Base-Backbone interact. energy: -0.938
local terms energy: -55.153747
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -6.162
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -88.157517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.157517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.157517 (E_RNA)
where:
Base-Base interactions energy: -33.978
where: short stacking energy: -23.895
Base-Backbone interact. energy: -1.284
local terms energy: -52.895293
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -7.502
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: 1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -90.646667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.646667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.646667 (E_RNA)
where:
Base-Base interactions energy: -37.725
where: short stacking energy: -32.893
Base-Backbone interact. energy: -0.083
local terms energy: -52.838934
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -10.050
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -8.343
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: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -207.494326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.494326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.494326 (E_RNA)
where:
Base-Base interactions energy: -123.651
where: short stacking energy: -55.734
Base-Backbone interact. energy: -0.679
local terms energy: -83.164120
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -198.286230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.286230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.286230 (E_RNA)
where:
Base-Base interactions energy: -131.155
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.041
local terms energy: -67.090367
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -10.499
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: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -168.493224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.493224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.493224 (E_RNA)
where:
Base-Base interactions energy: -106.162
where: short stacking energy: -67.030
Base-Backbone interact. energy: -0.125
local terms energy: -62.205903
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -165.965191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.965191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.965191 (E_RNA)
where:
Base-Base interactions energy: -97.224
where: short stacking energy: -59.082
Base-Backbone interact. energy: -0.002
local terms energy: -68.738394
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -172.242201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.242201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.242201 (E_RNA)
where:
Base-Base interactions energy: -116.487
where: short stacking energy: -55.003
Base-Backbone interact. energy: -0.112
local terms energy: -55.644069
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -1.503
tors. eta vs tors. theta energy: -11.476
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: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -167.092576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.092576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.092576 (E_RNA)
where:
Base-Base interactions energy: -106.770
where: short stacking energy: -58.498
Base-Backbone interact. energy: -0.077
local terms energy: -60.245545
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -5.225
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -10.242
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: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -105.211810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.211810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.211810 (E_RNA)
where:
Base-Base interactions energy: -41.099
where: short stacking energy: -41.099
Base-Backbone interact. energy: -0.025
local terms energy: -64.087771
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -89.645936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.645936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.645936 (E_RNA)
where:
Base-Base interactions energy: -31.605
where: short stacking energy: -31.476
Base-Backbone interact. energy: -0.169
local terms energy: -57.872437
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -10.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -86.180977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.180977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.180977 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -22.644
Base-Backbone interact. energy: -0.614
local terms energy: -50.483925
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: 3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -85.221283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.221283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.221283 (E_RNA)
where:
Base-Base interactions energy: -32.785
where: short stacking energy: -32.257
Base-Backbone interact. energy: 0.910
local terms energy: -53.346578
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -8.136
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: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -223.321390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.321390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.321390 (E_RNA)
where:
Base-Base interactions energy: -147.953
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.327
local terms energy: -75.040570
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -193.375242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.375242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.375242 (E_RNA)
where:
Base-Base interactions energy: -123.081
where: short stacking energy: -65.414
Base-Backbone interact. energy: -0.000
local terms energy: -70.293906
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -17.357
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: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -169.318237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.318237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.318237 (E_RNA)
where:
Base-Base interactions energy: -99.683
where: short stacking energy: -57.519
Base-Backbone interact. energy: -0.022
local terms energy: -69.613533
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.541
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: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -169.524155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.524155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.524155 (E_RNA)
where:
Base-Base interactions energy: -105.203
where: short stacking energy: -57.859
Base-Backbone interact. energy: -0.056
local terms energy: -64.264947
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -8.174
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: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -173.612064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.612064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.612064 (E_RNA)
where:
Base-Base interactions energy: -118.141
where: short stacking energy: -51.267
Base-Backbone interact. energy: -0.020
local terms energy: -55.450210
where:
bonds (distance) C4'-P energy: -7.521
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -141.253947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.253947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.253947 (E_RNA)
where:
Base-Base interactions energy: -85.371
where: short stacking energy: -46.706
Base-Backbone interact. energy: -0.108
local terms energy: -55.774602
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -105.133953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.133953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.133953 (E_RNA)
where:
Base-Base interactions energy: -53.004
where: short stacking energy: -31.042
Base-Backbone interact. energy: -0.333
local terms energy: -51.796494
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -13.166
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: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -115.846426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.846426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.846426 (E_RNA)
where:
Base-Base interactions energy: -69.144
where: short stacking energy: -48.721
Base-Backbone interact. energy: -1.333
local terms energy: -45.368859
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -6.690
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -1.132
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -96.168893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.168893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.168893 (E_RNA)
where:
Base-Base interactions energy: -37.121
where: short stacking energy: -37.121
Base-Backbone interact. energy: -0.093
local terms energy: -58.955274
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -9.023
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -99.293245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.293245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.293245 (E_RNA)
where:
Base-Base interactions energy: -50.129
where: short stacking energy: -49.069
Base-Backbone interact. energy: -0.278
local terms energy: -48.886133
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -7.319
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -215.536270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.536270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.536270 (E_RNA)
where:
Base-Base interactions energy: -144.826
where: short stacking energy: -63.459
Base-Backbone interact. energy: -0.291
local terms energy: -70.419722
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -178.075825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.075825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.075825 (E_RNA)
where:
Base-Base interactions energy: -106.355
where: short stacking energy: -58.129
Base-Backbone interact. energy: -0.146
local terms energy: -71.574536
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -182.834684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.834684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.834684 (E_RNA)
where:
Base-Base interactions energy: -103.903
where: short stacking energy: -58.031
Base-Backbone interact. energy: -0.156
local terms energy: -78.775780
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -172.937657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.937657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.937657 (E_RNA)
where:
Base-Base interactions energy: -107.628
where: short stacking energy: -50.608
Base-Backbone interact. energy: 0.571
local terms energy: -65.880450
where:
bonds (distance) C4'-P energy: -7.574
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -180.829792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.829792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.829792 (E_RNA)
where:
Base-Base interactions energy: -114.974
where: short stacking energy: -52.746
Base-Backbone interact. energy: -0.678
local terms energy: -65.178044
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -11.008
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: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -122.831512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.831512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.831512 (E_RNA)
where:
Base-Base interactions energy: -73.133
where: short stacking energy: -32.903
Base-Backbone interact. energy: -0.654
local terms energy: -49.044407
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -106.103312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.103312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.103312 (E_RNA)
where:
Base-Base interactions energy: -49.395
where: short stacking energy: -34.004
Base-Backbone interact. energy: -0.037
local terms energy: -56.671126
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -96.875798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.875798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.875798 (E_RNA)
where:
Base-Base interactions energy: -53.310
where: short stacking energy: -33.028
Base-Backbone interact. energy: -0.778
local terms energy: -42.788379
where:
bonds (distance) C4'-P energy: -7.332
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -89.775363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.775363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.775363 (E_RNA)
where:
Base-Base interactions energy: -39.303
where: short stacking energy: -38.768
Base-Backbone interact. energy: -0.034
local terms energy: -50.438357
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -71.469374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.469374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.469374 (E_RNA)
where:
Base-Base interactions energy: -25.182
where: short stacking energy: -20.320
Base-Backbone interact. energy: -0.108
local terms energy: -46.179661
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -3.866
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -222.513708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.513708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.513708 (E_RNA)
where:
Base-Base interactions energy: -147.230
where: short stacking energy: -62.132
Base-Backbone interact. energy: -0.194
local terms energy: -75.090013
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -15.899
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: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -185.863566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.863566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.863566 (E_RNA)
where:
Base-Base interactions energy: -112.830
where: short stacking energy: -50.418
Base-Backbone interact. energy: -0.658
local terms energy: -72.375424
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -182.006006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.006006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.006006 (E_RNA)
where:
Base-Base interactions energy: -104.848
where: short stacking energy: -61.589
Base-Backbone interact. energy: -0.282
local terms energy: -76.876567
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -10.300
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: 4, replica: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -191.440368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.440368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.440368 (E_RNA)
where:
Base-Base interactions energy: -131.227
where: short stacking energy: -44.925
Base-Backbone interact. energy: -0.070
local terms energy: -60.143604
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -7.072
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: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -169.434679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.434679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.434679 (E_RNA)
where:
Base-Base interactions energy: -97.451
where: short stacking energy: -63.656
Base-Backbone interact. energy: -0.036
local terms energy: -71.948106
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -14.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -107.392161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.392161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.392161 (E_RNA)
where:
Base-Base interactions energy: -45.528
where: short stacking energy: -33.391
Base-Backbone interact. energy: -0.920
local terms energy: -60.944695
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -93.706192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.706192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.706192 (E_RNA)
where:
Base-Base interactions energy: -39.073
where: short stacking energy: -29.499
Base-Backbone interact. energy: -0.301
local terms energy: -54.331327
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -92.075641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.075641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.075641 (E_RNA)
where:
Base-Base interactions energy: -36.648
where: short stacking energy: -30.399
Base-Backbone interact. energy: -0.020
local terms energy: -55.407436
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -88.169796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.169796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.169796 (E_RNA)
where:
Base-Base interactions energy: -35.259
where: short stacking energy: -35.259
Base-Backbone interact. energy: -0.130
local terms energy: -52.781716
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -73.521718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.521718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.521718 (E_RNA)
where:
Base-Base interactions energy: -23.014
where: short stacking energy: -23.014
Base-Backbone interact. energy: -0.015
local terms energy: -50.492096
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -230.974828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.974828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.974828 (E_RNA)
where:
Base-Base interactions energy: -155.436
where: short stacking energy: -61.502
Base-Backbone interact. energy: 0.385
local terms energy: -75.923341
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -178.918882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.918882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.918882 (E_RNA)
where:
Base-Base interactions energy: -106.550
where: short stacking energy: -62.460
Base-Backbone interact. energy: -0.005
local terms energy: -72.363937
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -192.109383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.109383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.109383 (E_RNA)
where:
Base-Base interactions energy: -120.791
where: short stacking energy: -59.059
Base-Backbone interact. energy: -0.165
local terms energy: -71.153780
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -162.442029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.442029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.442029 (E_RNA)
where:
Base-Base interactions energy: -93.809
where: short stacking energy: -54.434
Base-Backbone interact. energy: -0.045
local terms energy: -68.588149
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -11.996
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: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -170.699134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.699134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.699134 (E_RNA)
where:
Base-Base interactions energy: -107.315
where: short stacking energy: -44.518
Base-Backbone interact. energy: -0.324
local terms energy: -63.060097
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -103.404711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.404711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.404711 (E_RNA)
where:
Base-Base interactions energy: -46.274
where: short stacking energy: -39.517
Base-Backbone interact. energy: -0.240
local terms energy: -56.891270
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -9.125
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: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -93.868474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.868474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.868474 (E_RNA)
where:
Base-Base interactions energy: -40.469
where: short stacking energy: -25.272
Base-Backbone interact. energy: 0.813
local terms energy: -54.212897
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: 0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -99.443210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.443210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.443210 (E_RNA)
where:
Base-Base interactions energy: -40.242
where: short stacking energy: -37.775
Base-Backbone interact. energy: -0.101
local terms energy: -59.099939
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -7.049
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: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -77.769296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.769296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.769296 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -30.240
Base-Backbone interact. energy: 0.725
local terms energy: -43.807724
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -71.809203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.809203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.809203 (E_RNA)
where:
Base-Base interactions energy: -28.598
where: short stacking energy: -20.978
Base-Backbone interact. energy: -0.151
local terms energy: -43.059950
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -6.212
flat angles P-C4'-P energy: -3.353
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -215.782988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.782988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.782988 (E_RNA)
where:
Base-Base interactions energy: -139.174
where: short stacking energy: -64.243
Base-Backbone interact. energy: -0.260
local terms energy: -76.348608
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -19.650
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: 109
Temperature: 0.950000
Total energy: -200.465944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.465944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.465944 (E_RNA)
where:
Base-Base interactions energy: -133.364
where: short stacking energy: -57.253
Base-Backbone interact. energy: -0.360
local terms energy: -66.742203
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -179.257888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.257888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.257888 (E_RNA)
where:
Base-Base interactions energy: -112.752
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.007
local terms energy: -66.498081
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -14.354
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: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -175.751334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.751334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.751334 (E_RNA)
where:
Base-Base interactions energy: -114.363
where: short stacking energy: -49.339
Base-Backbone interact. energy: -0.017
local terms energy: -61.371710
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -7.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -149.960947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.960947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.960947 (E_RNA)
where:
Base-Base interactions energy: -97.399
where: short stacking energy: -51.703
Base-Backbone interact. energy: -0.225
local terms energy: -52.336706
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -9.075
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -93.757350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.757350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.757350 (E_RNA)
where:
Base-Base interactions energy: -46.933
where: short stacking energy: -21.941
Base-Backbone interact. energy: -0.324
local terms energy: -46.499746
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -3.454
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: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -94.323072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.323072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.323072 (E_RNA)
where:
Base-Base interactions energy: -39.241
where: short stacking energy: -28.928
Base-Backbone interact. energy: -0.321
local terms energy: -54.760815
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -1.611
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: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -85.144903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.144903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.144903 (E_RNA)
where:
Base-Base interactions energy: -41.127
where: short stacking energy: -32.518
Base-Backbone interact. energy: -0.077
local terms energy: -43.941217
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: 2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -86.999686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.999686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.999686 (E_RNA)
where:
Base-Base interactions energy: -37.655
where: short stacking energy: -36.049
Base-Backbone interact. energy: -0.043
local terms energy: -49.302075
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -4.854
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: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -73.364764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.364764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.364764 (E_RNA)
where:
Base-Base interactions energy: -22.083
where: short stacking energy: -22.083
Base-Backbone interact. energy: -0.158
local terms energy: -51.123542
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -212.968333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.968333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.968333 (E_RNA)
where:
Base-Base interactions energy: -143.497
where: short stacking energy: -71.014
Base-Backbone interact. energy: -0.787
local terms energy: -68.683766
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -206.497908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.497908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.497908 (E_RNA)
where:
Base-Base interactions energy: -130.598
where: short stacking energy: -60.123
Base-Backbone interact. energy: 0.280
local terms energy: -76.179891
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -17.430
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: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -181.688515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.688515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.688515 (E_RNA)
where:
Base-Base interactions energy: -115.333
where: short stacking energy: -51.300
Base-Backbone interact. energy: -0.939
local terms energy: -65.416472
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -186.142218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.142218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.142218 (E_RNA)
where:
Base-Base interactions energy: -111.427
where: short stacking energy: -50.503
Base-Backbone interact. energy: -0.068
local terms energy: -74.647626
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -172.814227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.814227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.814227 (E_RNA)
where:
Base-Base interactions energy: -109.133
where: short stacking energy: -57.436
Base-Backbone interact. energy: -0.084
local terms energy: -63.597162
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -106.894236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.894236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.894236 (E_RNA)
where:
Base-Base interactions energy: -48.950
where: short stacking energy: -47.321
Base-Backbone interact. energy: -0.326
local terms energy: -57.619154
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -7.121
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: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -100.263937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.263937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.263937 (E_RNA)
where:
Base-Base interactions energy: -44.819
where: short stacking energy: -36.335
Base-Backbone interact. energy: -0.083
local terms energy: -55.362675
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -99.337062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.337062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.337062 (E_RNA)
where:
Base-Base interactions energy: -42.594
where: short stacking energy: -42.594
Base-Backbone interact. energy: -0.003
local terms energy: -56.739518
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -7.855
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -80.611098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.611098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.611098 (E_RNA)
where:
Base-Base interactions energy: -32.056
where: short stacking energy: -32.056
Base-Backbone interact. energy: 2.192
local terms energy: -50.747591
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -4.084
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -86.830997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.830997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.830997 (E_RNA)
where:
Base-Base interactions energy: -39.580
where: short stacking energy: -34.915
Base-Backbone interact. energy: -0.284
local terms energy: -46.966889
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -221.590255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.590255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590255 (E_RNA)
where:
Base-Base interactions energy: -139.349
where: short stacking energy: -68.776
Base-Backbone interact. energy: -0.199
local terms energy: -82.042276
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -188.713074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.713074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.713074 (E_RNA)
where:
Base-Base interactions energy: -118.400
where: short stacking energy: -58.948
Base-Backbone interact. energy: -1.048
local terms energy: -69.264731
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -183.548483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.548483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.548483 (E_RNA)
where:
Base-Base interactions energy: -124.093
where: short stacking energy: -57.670
Base-Backbone interact. energy: -0.006
local terms energy: -59.449621
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -173.569460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.569460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.569460 (E_RNA)
where:
Base-Base interactions energy: -111.397
where: short stacking energy: -51.931
Base-Backbone interact. energy: 2.787
local terms energy: -64.959171
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -135.492849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.492849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.492849 (E_RNA)
where:
Base-Base interactions energy: -95.376
where: short stacking energy: -31.426
Base-Backbone interact. energy: 0.475
local terms energy: -40.592323
where:
bonds (distance) C4'-P energy: -7.178
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: 2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -101.643548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.643548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.643548 (E_RNA)
where:
Base-Base interactions energy: -57.838
where: short stacking energy: -31.513
Base-Backbone interact. energy: 1.237
local terms energy: -45.042642
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -104.468239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.468239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.468239 (E_RNA)
where:
Base-Base interactions energy: -54.886
where: short stacking energy: -36.445
Base-Backbone interact. energy: -1.303
local terms energy: -48.279331
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -79.676448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.676448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.676448 (E_RNA)
where:
Base-Base interactions energy: -33.150
where: short stacking energy: -31.743
Base-Backbone interact. energy: -0.287
local terms energy: -46.240060
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: 2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -83.686568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.686568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.686568 (E_RNA)
where:
Base-Base interactions energy: -39.883
where: short stacking energy: -33.562
Base-Backbone interact. energy: 0.172
local terms energy: -43.975195
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -6.853
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: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -80.799599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.799599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.799599 (E_RNA)
where:
Base-Base interactions energy: -30.368
where: short stacking energy: -26.230
Base-Backbone interact. energy: 1.439
local terms energy: -51.870747
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -6.525
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: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -220.753126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.753126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.753126 (E_RNA)
where:
Base-Base interactions energy: -143.703
where: short stacking energy: -65.488
Base-Backbone interact. energy: -0.002
local terms energy: -77.048377
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -196.661636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.661636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.661636 (E_RNA)
where:
Base-Base interactions energy: -131.923
where: short stacking energy: -63.403
Base-Backbone interact. energy: -0.399
local terms energy: -64.339472
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -13.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -182.633735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.633735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.633735 (E_RNA)
where:
Base-Base interactions energy: -121.519
where: short stacking energy: -55.865
Base-Backbone interact. energy: -0.113
local terms energy: -61.001266
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -16.666
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: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -166.061255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.061255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.061255 (E_RNA)
where:
Base-Base interactions energy: -106.494
where: short stacking energy: -51.501
Base-Backbone interact. energy: -0.179
local terms energy: -59.388414
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -145.037586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.037586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.037586 (E_RNA)
where:
Base-Base interactions energy: -86.156
where: short stacking energy: -40.472
Base-Backbone interact. energy: -0.372
local terms energy: -58.509292
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -107.407047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.407047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.407047 (E_RNA)
where:
Base-Base interactions energy: -49.252
where: short stacking energy: -32.199
Base-Backbone interact. energy: -0.140
local terms energy: -58.015147
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -96.566103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.566103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.566103 (E_RNA)
where:
Base-Base interactions energy: -36.789
where: short stacking energy: -35.538
Base-Backbone interact. energy: -0.003
local terms energy: -59.774688
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -84.869939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.869939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.869939 (E_RNA)
where:
Base-Base interactions energy: -28.128
where: short stacking energy: -24.963
Base-Backbone interact. energy: -0.076
local terms energy: -56.666018
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -93.148892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.148892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.148892 (E_RNA)
where:
Base-Base interactions energy: -29.973
where: short stacking energy: -29.164
Base-Backbone interact. energy: 0.553
local terms energy: -63.728977
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -83.655250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.655250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.655250 (E_RNA)
where:
Base-Base interactions energy: -31.580
where: short stacking energy: -30.040
Base-Backbone interact. energy: -0.319
local terms energy: -51.756546
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -213.140746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.140746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.140746 (E_RNA)
where:
Base-Base interactions energy: -132.916
where: short stacking energy: -66.675
Base-Backbone interact. energy: -0.845
local terms energy: -79.379936
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -190.685238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.685238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.685238 (E_RNA)
where:
Base-Base interactions energy: -121.243
where: short stacking energy: -59.493
Base-Backbone interact. energy: -0.084
local terms energy: -69.358768
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -15.926
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: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -173.750500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.750500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.750500 (E_RNA)
where:
Base-Base interactions energy: -113.495
where: short stacking energy: -56.121
Base-Backbone interact. energy: -0.611
local terms energy: -59.644158
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -9.656
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -11.772
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: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -155.505695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.505695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.505695 (E_RNA)
where:
Base-Base interactions energy: -88.199
where: short stacking energy: -54.767
Base-Backbone interact. energy: -0.196
local terms energy: -67.110011
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -16.542
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: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -139.785953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.785953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.785953 (E_RNA)
where:
Base-Base interactions energy: -79.680
where: short stacking energy: -50.754
Base-Backbone interact. energy: -0.094
local terms energy: -60.012182
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -92.149478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.149478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.149478 (E_RNA)
where:
Base-Base interactions energy: -43.540
where: short stacking energy: -41.802
Base-Backbone interact. energy: 0.413
local terms energy: -49.021947
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -4.968
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -95.183650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.183650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.183650 (E_RNA)
where:
Base-Base interactions energy: -40.092
where: short stacking energy: -32.413
Base-Backbone interact. energy: 1.224
local terms energy: -56.315518
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -11.471
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: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -92.205390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.205390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.205390 (E_RNA)
where:
Base-Base interactions energy: -28.298
where: short stacking energy: -28.723
Base-Backbone interact. energy: -0.034
local terms energy: -63.872967
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -10.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -76.664796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.664796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.664796 (E_RNA)
where:
Base-Base interactions energy: -27.722
where: short stacking energy: -19.781
Base-Backbone interact. energy: -0.187
local terms energy: -48.756500
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -73.072860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.072860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.072860 (E_RNA)
where:
Base-Base interactions energy: -25.367
where: short stacking energy: -12.313
Base-Backbone interact. energy: -0.240
local terms energy: -47.465441
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -200.953894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.953894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.953894 (E_RNA)
where:
Base-Base interactions energy: -128.855
where: short stacking energy: -58.207
Base-Backbone interact. energy: -0.204
local terms energy: -71.895620
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -6.730
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: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -209.868294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.868294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.868294 (E_RNA)
where:
Base-Base interactions energy: -134.691
where: short stacking energy: -69.066
Base-Backbone interact. energy: 0.062
local terms energy: -75.240066
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -20.070
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: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -174.872974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.872974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.872974 (E_RNA)
where:
Base-Base interactions energy: -101.344
where: short stacking energy: -53.512
Base-Backbone interact. energy: -0.000
local terms energy: -73.528157
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -17.835
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: 114
Temperature: 1.050000
Total energy: -165.293814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.293814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.293814 (E_RNA)
where:
Base-Base interactions energy: -100.577
where: short stacking energy: -53.615
Base-Backbone interact. energy: -0.003
local terms energy: -64.713902
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -13.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -137.553903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.553903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.553903 (E_RNA)
where:
Base-Base interactions energy: -77.771
where: short stacking energy: -36.216
Base-Backbone interact. energy: -0.672
local terms energy: -59.110824
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -104.906170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.906170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.906170 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -44.194
Base-Backbone interact. energy: -0.000
local terms energy: -60.711660
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -9.001
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: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -95.226268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.226268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.226268 (E_RNA)
where:
Base-Base interactions energy: -46.246
where: short stacking energy: -46.203
Base-Backbone interact. energy: -0.106
local terms energy: -48.874104
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -87.999403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.999403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.999403 (E_RNA)
where:
Base-Base interactions energy: -35.138
where: short stacking energy: -22.175
Base-Backbone interact. energy: -0.111
local terms energy: -52.749841
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -76.030893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.030893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.030893 (E_RNA)
where:
Base-Base interactions energy: -22.909
where: short stacking energy: -22.637
Base-Backbone interact. energy: -0.272
local terms energy: -52.850042
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -77.869121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.869121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.869121 (E_RNA)
where:
Base-Base interactions energy: -46.908
where: short stacking energy: -25.863
Base-Backbone interact. energy: 0.458
local terms energy: -31.419745
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: 4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -209.942794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.942794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.942794 (E_RNA)
where:
Base-Base interactions energy: -140.561
where: short stacking energy: -60.305
Base-Backbone interact. energy: -0.022
local terms energy: -69.360658
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -217.069083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.069083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.069083 (E_RNA)
where:
Base-Base interactions energy: -134.554
where: short stacking energy: -72.119
Base-Backbone interact. energy: -0.596
local terms energy: -81.918597
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -22.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -177.160716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.160716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.160716 (E_RNA)
where:
Base-Base interactions energy: -106.837
where: short stacking energy: -62.775
Base-Backbone interact. energy: 0.567
local terms energy: -70.890434
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -11.749
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: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -167.013811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.013811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.013811 (E_RNA)
where:
Base-Base interactions energy: -105.250
where: short stacking energy: -58.576
Base-Backbone interact. energy: -0.100
local terms energy: -61.663197
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -8.627
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -130.474046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.474046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.474046 (E_RNA)
where:
Base-Base interactions energy: -76.792
where: short stacking energy: -36.164
Base-Backbone interact. energy: -0.420
local terms energy: -53.261982
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -4.136
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: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -99.755864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.755864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.755864 (E_RNA)
where:
Base-Base interactions energy: -43.445
where: short stacking energy: -33.850
Base-Backbone interact. energy: -0.056
local terms energy: -56.254471
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -101.031864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.031864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.031864 (E_RNA)
where:
Base-Base interactions energy: -39.064
where: short stacking energy: -34.553
Base-Backbone interact. energy: -0.223
local terms energy: -61.744306
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -78.031645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.031645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.031645 (E_RNA)
where:
Base-Base interactions energy: -26.925
where: short stacking energy: -25.773
Base-Backbone interact. energy: -0.910
local terms energy: -50.196990
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -6.680
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: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -83.014477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.014477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.014477 (E_RNA)
where:
Base-Base interactions energy: -39.124
where: short stacking energy: -38.961
Base-Backbone interact. energy: -0.045
local terms energy: -43.844836
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -2.615
tors. eta vs tors. theta energy: -7.573
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: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -88.096672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.096672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.096672 (E_RNA)
where:
Base-Base interactions energy: -35.811
where: short stacking energy: -25.672
Base-Backbone interact. energy: -0.253
local terms energy: -52.032967
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -216.838781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.838781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.838781 (E_RNA)
where:
Base-Base interactions energy: -135.406
where: short stacking energy: -67.429
Base-Backbone interact. energy: -0.574
local terms energy: -80.858300
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -204.865984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.865984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.865984 (E_RNA)
where:
Base-Base interactions energy: -133.726
where: short stacking energy: -59.239
Base-Backbone interact. energy: 0.397
local terms energy: -71.536983
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -14.710
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: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -178.401357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.401357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.401357 (E_RNA)
where:
Base-Base interactions energy: -115.612
where: short stacking energy: -50.639
Base-Backbone interact. energy: -0.032
local terms energy: -62.757900
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -191.245420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.245420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.245420 (E_RNA)
where:
Base-Base interactions energy: -125.744
where: short stacking energy: -55.382
Base-Backbone interact. energy: -0.192
local terms energy: -65.309406
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -135.619316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.619316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.619316 (E_RNA)
where:
Base-Base interactions energy: -82.189
where: short stacking energy: -40.053
Base-Backbone interact. energy: 0.094
local terms energy: -53.523899
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -98.506703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.506703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.506703 (E_RNA)
where:
Base-Base interactions energy: -37.481
where: short stacking energy: -37.481
Base-Backbone interact. energy: -0.040
local terms energy: -60.985821
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -9.086
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: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -90.897970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.897970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.897970 (E_RNA)
where:
Base-Base interactions energy: -36.178
where: short stacking energy: -27.040
Base-Backbone interact. energy: -0.199
local terms energy: -54.520865
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -92.406477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.406477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.406477 (E_RNA)
where:
Base-Base interactions energy: -36.321
where: short stacking energy: -36.321
Base-Backbone interact. energy: -0.136
local terms energy: -55.948942
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -9.504
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -12.735
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: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -78.982924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.982924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.982924 (E_RNA)
where:
Base-Base interactions energy: -28.716
where: short stacking energy: -28.481
Base-Backbone interact. energy: -0.021
local terms energy: -50.245154
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -104.945961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.945961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.945961 (E_RNA)
where:
Base-Base interactions energy: -59.090
where: short stacking energy: -37.792
Base-Backbone interact. energy: -0.149
local terms energy: -45.707617
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -215.558866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.558866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.558866 (E_RNA)
where:
Base-Base interactions energy: -135.019
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.003
local terms energy: -80.536970
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -22.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -201.789259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.789259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.789259 (E_RNA)
where:
Base-Base interactions energy: -131.821
where: short stacking energy: -53.962
Base-Backbone interact. energy: -0.279
local terms energy: -69.689617
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -186.919375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.919375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.919375 (E_RNA)
where:
Base-Base interactions energy: -119.035
where: short stacking energy: -59.329
Base-Backbone interact. energy: 1.496
local terms energy: -69.380585
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -13.802
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: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -164.210294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.210294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.210294 (E_RNA)
where:
Base-Base interactions energy: -102.269
where: short stacking energy: -53.493
Base-Backbone interact. energy: -0.071
local terms energy: -61.870335
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -10.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -132.201564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.201564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.201564 (E_RNA)
where:
Base-Base interactions energy: -70.096
where: short stacking energy: -43.086
Base-Backbone interact. energy: -0.148
local terms energy: -61.957520
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -92.250660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.250660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.250660 (E_RNA)
where:
Base-Base interactions energy: -46.815
where: short stacking energy: -38.550
Base-Backbone interact. energy: -0.060
local terms energy: -45.376594
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -84.335999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.335999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.335999 (E_RNA)
where:
Base-Base interactions energy: -33.322
where: short stacking energy: -29.180
Base-Backbone interact. energy: -0.132
local terms energy: -50.881723
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -92.808266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.808266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.808266 (E_RNA)
where:
Base-Base interactions energy: -37.097
where: short stacking energy: -37.097
Base-Backbone interact. energy: -0.006
local terms energy: -55.704630
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -86.509127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.509127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.509127 (E_RNA)
where:
Base-Base interactions energy: -32.217
where: short stacking energy: -29.273
Base-Backbone interact. energy: -0.372
local terms energy: -53.920590
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -8.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -93.759980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.759980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.759980 (E_RNA)
where:
Base-Base interactions energy: -36.256
where: short stacking energy: -31.626
Base-Backbone interact. energy: 0.240
local terms energy: -57.744119
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -214.715594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.715594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.715594 (E_RNA)
where:
Base-Base interactions energy: -136.478
where: short stacking energy: -68.880
Base-Backbone interact. energy: -0.009
local terms energy: -78.228176
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -214.354635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.354635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.354635 (E_RNA)
where:
Base-Base interactions energy: -139.372
where: short stacking energy: -63.299
Base-Backbone interact. energy: -0.005
local terms energy: -74.977329
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -182.904925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.904925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.904925 (E_RNA)
where:
Base-Base interactions energy: -112.968
where: short stacking energy: -60.228
Base-Backbone interact. energy: -1.265
local terms energy: -68.671289
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -18.791
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: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -145.031584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.031584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.031584 (E_RNA)
where:
Base-Base interactions energy: -84.987
where: short stacking energy: -45.282
Base-Backbone interact. energy: 0.426
local terms energy: -60.470726
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -11.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -103.947269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.947269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.947269 (E_RNA)
where:
Base-Base interactions energy: -46.033
where: short stacking energy: -46.033
Base-Backbone interact. energy: -0.148
local terms energy: -57.766091
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -10.505
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: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -104.007080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.007080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.007080 (E_RNA)
where:
Base-Base interactions energy: -54.308
where: short stacking energy: -31.285
Base-Backbone interact. energy: 1.119
local terms energy: -50.818062
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -8.110
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: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -92.049201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.049201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.049201 (E_RNA)
where:
Base-Base interactions energy: -33.202
where: short stacking energy: -33.202
Base-Backbone interact. energy: -0.112
local terms energy: -58.735620
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -105.490978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.490978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.490978 (E_RNA)
where:
Base-Base interactions energy: -63.110
where: short stacking energy: -22.312
Base-Backbone interact. energy: -0.346
local terms energy: -42.035071
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: 1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -76.940051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.940051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.940051 (E_RNA)
where:
Base-Base interactions energy: -29.468
where: short stacking energy: -17.746
Base-Backbone interact. energy: 0.349
local terms energy: -47.820372
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: 2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -91.137584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.137584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.137584 (E_RNA)
where:
Base-Base interactions energy: -40.270
where: short stacking energy: -33.314
Base-Backbone interact. energy: -0.108
local terms energy: -50.760152
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.158
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: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -219.086927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.086927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.086927 (E_RNA)
where:
Base-Base interactions energy: -142.875
where: short stacking energy: -66.582
Base-Backbone interact. energy: -0.022
local terms energy: -76.189784
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -19.477
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: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -201.877136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.877136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.877136 (E_RNA)
where:
Base-Base interactions energy: -128.264
where: short stacking energy: -60.886
Base-Backbone interact. energy: -0.399
local terms energy: -73.213723
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -10.616
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: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -191.550373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.550373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.550373 (E_RNA)
where:
Base-Base interactions energy: -118.840
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.040
local terms energy: -72.670564
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -180.068983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.068983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.068983 (E_RNA)
where:
Base-Base interactions energy: -122.878
where: short stacking energy: -55.521
Base-Backbone interact. energy: 0.171
local terms energy: -57.362141
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -9.242
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: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -118.243439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.243439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.243439 (E_RNA)
where:
Base-Base interactions energy: -54.205
where: short stacking energy: -44.098
Base-Backbone interact. energy: -0.472
local terms energy: -63.566683
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -8.663
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: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -121.963828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.963828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.963828 (E_RNA)
where:
Base-Base interactions energy: -68.741
where: short stacking energy: -47.044
Base-Backbone interact. energy: -0.303
local terms energy: -52.919841
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -95.503829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.503829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.503829 (E_RNA)
where:
Base-Base interactions energy: -37.193
where: short stacking energy: -36.035
Base-Backbone interact. energy: -0.043
local terms energy: -58.267616
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -83.907103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.907103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.907103 (E_RNA)
where:
Base-Base interactions energy: -28.281
where: short stacking energy: -28.281
Base-Backbone interact. energy: 0.647
local terms energy: -56.273182
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.707
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: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -96.435994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.435994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.435994 (E_RNA)
where:
Base-Base interactions energy: -46.047
where: short stacking energy: -37.519
Base-Backbone interact. energy: -0.679
local terms energy: -49.709940
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -5.376
flat angles P-C4'-P energy: -12.679
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -66.540556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.540556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.540556 (E_RNA)
where:
Base-Base interactions energy: -24.400
where: short stacking energy: -20.449
Base-Backbone interact. energy: 0.080
local terms energy: -42.221282
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: 1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -223.439609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.439609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.439609 (E_RNA)
where:
Base-Base interactions energy: -146.759
where: short stacking energy: -69.406
Base-Backbone interact. energy: -0.021
local terms energy: -76.660122
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -206.976337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.976337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.976337 (E_RNA)
where:
Base-Base interactions energy: -139.167
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.014
local terms energy: -67.795618
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -183.215615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.215615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.215615 (E_RNA)
where:
Base-Base interactions energy: -129.812
where: short stacking energy: -48.264
Base-Backbone interact. energy: -0.015
local terms energy: -53.388114
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -13.705
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: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -189.150528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.150528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.150528 (E_RNA)
where:
Base-Base interactions energy: -121.310
where: short stacking energy: -55.049
Base-Backbone interact. energy: -0.323
local terms energy: -67.517845
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -126.722713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.722713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.722713 (E_RNA)
where:
Base-Base interactions energy: -66.849
where: short stacking energy: -38.560
Base-Backbone interact. energy: -1.046
local terms energy: -58.828235
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -7.189
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: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -102.538926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.538926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.538926 (E_RNA)
where:
Base-Base interactions energy: -50.690
where: short stacking energy: -31.193
Base-Backbone interact. energy: -0.476
local terms energy: -51.373006
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -7.310
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: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -95.253750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.253750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.253750 (E_RNA)
where:
Base-Base interactions energy: -33.256
where: short stacking energy: -23.413
Base-Backbone interact. energy: -0.739
local terms energy: -61.259190
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -92.686186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.686186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.686186 (E_RNA)
where:
Base-Base interactions energy: -41.692
where: short stacking energy: -38.024
Base-Backbone interact. energy: -0.032
local terms energy: -50.962186
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -91.487600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.487600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.487600 (E_RNA)
where:
Base-Base interactions energy: -40.307
where: short stacking energy: -35.674
Base-Backbone interact. energy: -0.123
local terms energy: -51.057552
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -82.725735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.725735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.725735 (E_RNA)
where:
Base-Base interactions energy: -31.913
where: short stacking energy: -31.600
Base-Backbone interact. energy: -0.338
local terms energy: -50.474190
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -9.045
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: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -215.395491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.395491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.395491 (E_RNA)
where:
Base-Base interactions energy: -139.812
where: short stacking energy: -59.679
Base-Backbone interact. energy: -0.619
local terms energy: -74.965001
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -11.832
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: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -195.047599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.047599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.047599 (E_RNA)
where:
Base-Base interactions energy: -133.124
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.347
local terms energy: -61.576624
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -8.626
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: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -198.950191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.950191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.950191 (E_RNA)
where:
Base-Base interactions energy: -131.681
where: short stacking energy: -62.991
Base-Backbone interact. energy: -0.004
local terms energy: -67.264909
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -14.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -167.554884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.554884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.554884 (E_RNA)
where:
Base-Base interactions energy: -109.757
where: short stacking energy: -53.985
Base-Backbone interact. energy: -0.237
local terms energy: -57.560875
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -129.094665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.094665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.094665 (E_RNA)
where:
Base-Base interactions energy: -70.371
where: short stacking energy: -48.329
Base-Backbone interact. energy: -0.098
local terms energy: -58.626141
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -105.544784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.544784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.544784 (E_RNA)
where:
Base-Base interactions energy: -47.563
where: short stacking energy: -28.998
Base-Backbone interact. energy: -1.039
local terms energy: -56.942690
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -9.655
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: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -86.885651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.885651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.885651 (E_RNA)
where:
Base-Base interactions energy: -30.253
where: short stacking energy: -30.253
Base-Backbone interact. energy: -0.093
local terms energy: -56.539351
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -6.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -88.825738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.825738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.825738 (E_RNA)
where:
Base-Base interactions energy: -43.892
where: short stacking energy: -32.037
Base-Backbone interact. energy: -0.111
local terms energy: -44.822732
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -7.148
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -1.557
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: 121
Temperature: 1.300000
Total energy: -87.595828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.595828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.595828 (E_RNA)
where:
Base-Base interactions energy: -31.572
where: short stacking energy: -26.033
Base-Backbone interact. energy: -0.321
local terms energy: -55.703295
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -101.376223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.376223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.376223 (E_RNA)
where:
Base-Base interactions energy: -55.357
where: short stacking energy: -33.079
Base-Backbone interact. energy: 0.299
local terms energy: -46.317880
where:
bonds (distance) C4'-P energy: -7.811
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -210.023914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.023914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.023914 (E_RNA)
where:
Base-Base interactions energy: -137.560
where: short stacking energy: -53.393
Base-Backbone interact. energy: -0.508
local terms energy: -71.956100
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -211.384743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.384743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.384743 (E_RNA)
where:
Base-Base interactions energy: -136.513
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.513
local terms energy: -74.359261
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -188.393022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.393022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.393022 (E_RNA)
where:
Base-Base interactions energy: -123.805
where: short stacking energy: -63.465
Base-Backbone interact. energy: -0.015
local terms energy: -64.572974
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -177.080099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.080099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.080099 (E_RNA)
where:
Base-Base interactions energy: -105.970
where: short stacking energy: -58.455
Base-Backbone interact. energy: -0.002
local terms energy: -71.107807
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -14.550
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: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -147.731339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.731339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.731339 (E_RNA)
where:
Base-Base interactions energy: -88.964
where: short stacking energy: -47.963
Base-Backbone interact. energy: 1.996
local terms energy: -60.763629
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -121.213406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.213406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.213406 (E_RNA)
where:
Base-Base interactions energy: -70.227
where: short stacking energy: -49.783
Base-Backbone interact. energy: 0.559
local terms energy: -51.545207
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -119.781689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.781689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.781689 (E_RNA)
where:
Base-Base interactions energy: -66.361
where: short stacking energy: -37.417
Base-Backbone interact. energy: 1.506
local terms energy: -54.926724
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -9.863
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: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -120.570096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.570096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.570096 (E_RNA)
where:
Base-Base interactions energy: -73.367
where: short stacking energy: -30.476
Base-Backbone interact. energy: -0.265
local terms energy: -46.938686
where:
bonds (distance) C4'-P energy: -6.344
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -82.488088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.488088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.488088 (E_RNA)
where:
Base-Base interactions energy: -34.983
where: short stacking energy: -21.555
Base-Backbone interact. energy: 0.602
local terms energy: -48.107426
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: 0.066
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: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -76.517038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.517038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.517038 (E_RNA)
where:
Base-Base interactions energy: -24.729
where: short stacking energy: -24.729
Base-Backbone interact. energy: -1.009
local terms energy: -50.779103
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -207.173513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.173513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.173513 (E_RNA)
where:
Base-Base interactions energy: -137.026
where: short stacking energy: -51.939
Base-Backbone interact. energy: -0.521
local terms energy: -69.626580
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -203.719862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.719862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.719862 (E_RNA)
where:
Base-Base interactions energy: -135.764
where: short stacking energy: -55.992
Base-Backbone interact. energy: -0.003
local terms energy: -67.952827
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -14.564
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: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -189.299495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.299495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.299495 (E_RNA)
where:
Base-Base interactions energy: -120.595
where: short stacking energy: -54.171
Base-Backbone interact. energy: -0.842
local terms energy: -67.862612
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -17.192
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: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -186.299313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.299313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.299313 (E_RNA)
where:
Base-Base interactions energy: -122.712
where: short stacking energy: -46.302
Base-Backbone interact. energy: -0.111
local terms energy: -63.476245
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -8.101
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: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -163.120622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.120622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.120622 (E_RNA)
where:
Base-Base interactions energy: -95.565
where: short stacking energy: -55.145
Base-Backbone interact. energy: -0.052
local terms energy: -67.503253
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -105.558094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.558094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.558094 (E_RNA)
where:
Base-Base interactions energy: -46.962
where: short stacking energy: -25.376
Base-Backbone interact. energy: -0.121
local terms energy: -58.475491
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -10.812
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: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -167.482011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.482011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.482011 (E_RNA)
where:
Base-Base interactions energy: -100.055
where: short stacking energy: -46.810
Base-Backbone interact. energy: -0.172
local terms energy: -67.254478
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -106.319592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.319592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.319592 (E_RNA)
where:
Base-Base interactions energy: -52.573
where: short stacking energy: -31.865
Base-Backbone interact. energy: -0.223
local terms energy: -53.524155
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -145.203606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.203606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.203606 (E_RNA)
where:
Base-Base interactions energy: -84.389
where: short stacking energy: -45.339
Base-Backbone interact. energy: -0.005
local terms energy: -60.809644
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -10.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -80.719392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.719392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.719392 (E_RNA)
where:
Base-Base interactions energy: -33.356
where: short stacking energy: -33.084
Base-Backbone interact. energy: -0.018
local terms energy: -47.345853
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -10.164
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -7.934
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: 124
Temperature: 0.900000
Total energy: -214.057074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.057074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.057074 (E_RNA)
where:
Base-Base interactions energy: -146.157
where: short stacking energy: -56.683
Base-Backbone interact. energy: -0.724
local terms energy: -67.175730
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -199.444602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.444602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.444602 (E_RNA)
where:
Base-Base interactions energy: -125.986
where: short stacking energy: -60.056
Base-Backbone interact. energy: -0.019
local terms energy: -73.440448
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -193.839505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.839505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.839505 (E_RNA)
where:
Base-Base interactions energy: -124.415
where: short stacking energy: -67.620
Base-Backbone interact. energy: -0.201
local terms energy: -69.224082
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -16.022
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: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -186.495469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.495469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.495469 (E_RNA)
where:
Base-Base interactions energy: -111.506
where: short stacking energy: -55.259
Base-Backbone interact. energy: -0.158
local terms energy: -74.831496
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -11.470
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: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -166.294307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.294307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.294307 (E_RNA)
where:
Base-Base interactions energy: -96.669
where: short stacking energy: -55.871
Base-Backbone interact. energy: -0.592
local terms energy: -69.033186
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -102.925433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.925433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.925433 (E_RNA)
where:
Base-Base interactions energy: -49.468
where: short stacking energy: -48.470
Base-Backbone interact. energy: -0.208
local terms energy: -53.249031
where:
bonds (distance) C4'-P energy: -7.244
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -85.389395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.389395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.389395 (E_RNA)
where:
Base-Base interactions energy: -38.305
where: short stacking energy: -32.163
Base-Backbone interact. energy: 0.038
local terms energy: -47.122720
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -3.923
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: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -120.141993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.141993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.141993 (E_RNA)
where:
Base-Base interactions energy: -70.586
where: short stacking energy: -41.864
Base-Backbone interact. energy: -0.486
local terms energy: -49.069908
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -7.076
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: 124
Temperature: 1.300000
Total energy: -86.456110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.456110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.456110 (E_RNA)
where:
Base-Base interactions energy: -35.018
where: short stacking energy: -35.018
Base-Backbone interact. energy: -0.150
local terms energy: -51.287737
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -7.434
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: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -85.116841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.116841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.116841 (E_RNA)
where:
Base-Base interactions energy: -26.779
where: short stacking energy: -23.870
Base-Backbone interact. energy: -0.107
local terms energy: -58.231030
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -8.808
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: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -213.635550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.635550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.635550 (E_RNA)
where:
Base-Base interactions energy: -149.308
where: short stacking energy: -59.324
Base-Backbone interact. energy: -1.010
local terms energy: -63.316741
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -208.675444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.675444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.675444 (E_RNA)
where:
Base-Base interactions energy: -129.801
where: short stacking energy: -68.795
Base-Backbone interact. energy: -1.108
local terms energy: -77.766781
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -164.084996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.084996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.084996 (E_RNA)
where:
Base-Base interactions energy: -98.351
where: short stacking energy: -50.409
Base-Backbone interact. energy: -0.111
local terms energy: -65.623503
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -155.469212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.469212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.469212 (E_RNA)
where:
Base-Base interactions energy: -91.482
where: short stacking energy: -47.650
Base-Backbone interact. energy: -0.149
local terms energy: -63.838579
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -12.881
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: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -193.437913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.437913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.437913 (E_RNA)
where:
Base-Base interactions energy: -133.935
where: short stacking energy: -59.446
Base-Backbone interact. energy: -0.048
local terms energy: -59.455625
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -101.756711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.756711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.756711 (E_RNA)
where:
Base-Base interactions energy: -42.911
where: short stacking energy: -41.674
Base-Backbone interact. energy: -0.035
local terms energy: -58.811191
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -95.911537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.911537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.911537 (E_RNA)
where:
Base-Base interactions energy: -43.413
where: short stacking energy: -32.734
Base-Backbone interact. energy: -0.222
local terms energy: -52.276048
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -84.078155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.078155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.078155 (E_RNA)
where:
Base-Base interactions energy: -32.574
where: short stacking energy: -32.574
Base-Backbone interact. energy: 0.646
local terms energy: -52.149416
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -88.175439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.175439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.175439 (E_RNA)
where:
Base-Base interactions energy: -32.424
where: short stacking energy: -26.284
Base-Backbone interact. energy: -0.133
local terms energy: -55.618810
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -74.041290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.041290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.041290 (E_RNA)
where:
Base-Base interactions energy: -25.402
where: short stacking energy: -20.474
Base-Backbone interact. energy: 0.444
local terms energy: -49.083276
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -218.496098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.496098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.496098 (E_RNA)
where:
Base-Base interactions energy: -145.287
where: short stacking energy: -60.642
Base-Backbone interact. energy: -0.419
local terms energy: -72.790342
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -205.636611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.636611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.636611 (E_RNA)
where:
Base-Base interactions energy: -136.735
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.150
local terms energy: -68.751012
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -11.834
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: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -174.870659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.870659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.870659 (E_RNA)
where:
Base-Base interactions energy: -106.848
where: short stacking energy: -57.608
Base-Backbone interact. energy: -0.082
local terms energy: -67.940481
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -15.945
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: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -166.979826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.979826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.979826 (E_RNA)
where:
Base-Base interactions energy: -106.749
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.115
local terms energy: -60.115143
where:
bonds (distance) C4'-P energy: -7.925
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -201.498146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.498146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.498146 (E_RNA)
where:
Base-Base interactions energy: -127.674
where: short stacking energy: -47.231
Base-Backbone interact. energy: -0.152
local terms energy: -73.672561
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -12.624
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: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -103.791348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.791348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.791348 (E_RNA)
where:
Base-Base interactions energy: -43.798
where: short stacking energy: -43.798
Base-Backbone interact. energy: -0.063
local terms energy: -59.930800
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -92.392963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.392963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.392963 (E_RNA)
where:
Base-Base interactions energy: -37.652
where: short stacking energy: -37.652
Base-Backbone interact. energy: 1.171
local terms energy: -55.912020
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -102.102982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.102982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.102982 (E_RNA)
where:
Base-Base interactions energy: -44.573
where: short stacking energy: -44.604
Base-Backbone interact. energy: -0.271
local terms energy: -57.258965
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -10.029
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: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -82.272769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.272769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.272769 (E_RNA)
where:
Base-Base interactions energy: -27.333
where: short stacking energy: -22.093
Base-Backbone interact. energy: -0.525
local terms energy: -54.414190
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -7.553
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: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -83.762081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762081 (E_RNA)
where:
Base-Base interactions energy: -33.371
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.105
local terms energy: -50.286235
where:
bonds (distance) C4'-P energy: -7.483
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -217.278384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.278384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.278384 (E_RNA)
where:
Base-Base interactions energy: -144.482
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.171
local terms energy: -72.625461
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -19.316
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: 127
Temperature: 0.950000
Total energy: -197.071383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.071383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.071383 (E_RNA)
where:
Base-Base interactions energy: -120.489
where: short stacking energy: -65.112
Base-Backbone interact. energy: -0.031
local terms energy: -76.550926
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -173.149635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.149635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.149635 (E_RNA)
where:
Base-Base interactions energy: -99.957
where: short stacking energy: -59.687
Base-Backbone interact. energy: -0.043
local terms energy: -73.149759
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -15.189
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: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -208.172018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.172018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.172018 (E_RNA)
where:
Base-Base interactions energy: -129.641
where: short stacking energy: -63.887
Base-Backbone interact. energy: -0.010
local terms energy: -78.521591
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -171.989115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.989115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.989115 (E_RNA)
where:
Base-Base interactions energy: -122.045
where: short stacking energy: -53.169
Base-Backbone interact. energy: -0.076
local terms energy: -49.868295
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -2.699
flat angles P-C4'-P energy: -11.992
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: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -104.240471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.240471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.240471 (E_RNA)
where:
Base-Base interactions energy: -43.980
where: short stacking energy: -38.499
Base-Backbone interact. energy: -0.006
local terms energy: -60.254741
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -11.712
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: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -98.022966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.022966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.022966 (E_RNA)
where:
Base-Base interactions energy: -41.801
where: short stacking energy: -41.801
Base-Backbone interact. energy: 1.363
local terms energy: -57.584982
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -8.225
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: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -79.495738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.495738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.495738 (E_RNA)
where:
Base-Base interactions energy: -22.853
where: short stacking energy: -21.444
Base-Backbone interact. energy: -0.352
local terms energy: -56.290920
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -3.675
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: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -92.781205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.781205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.781205 (E_RNA)
where:
Base-Base interactions energy: -39.350
where: short stacking energy: -32.929
Base-Backbone interact. energy: -0.167
local terms energy: -53.263602
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -82.404754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.404754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.404754 (E_RNA)
where:
Base-Base interactions energy: -25.899
where: short stacking energy: -17.491
Base-Backbone interact. energy: -0.039
local terms energy: -56.467605
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -5.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -214.660176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.660176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.660176 (E_RNA)
where:
Base-Base interactions energy: -135.140
where: short stacking energy: -74.202
Base-Backbone interact. energy: 0.462
local terms energy: -79.982323
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -21.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -206.674105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.674105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.674105 (E_RNA)
where:
Base-Base interactions energy: -137.249
where: short stacking energy: -62.044
Base-Backbone interact. energy: 1.077
local terms energy: -70.501632
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -180.113220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.113220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.113220 (E_RNA)
where:
Base-Base interactions energy: -113.647
where: short stacking energy: -48.103
Base-Backbone interact. energy: -0.598
local terms energy: -65.868087
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -186.725292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.725292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.725292 (E_RNA)
where:
Base-Base interactions energy: -122.067
where: short stacking energy: -55.902
Base-Backbone interact. energy: -0.031
local terms energy: -64.627236
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -192.604457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.604457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.604457 (E_RNA)
where:
Base-Base interactions energy: -125.235
where: short stacking energy: -48.790
Base-Backbone interact. energy: -0.436
local terms energy: -66.933096
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -14.193
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: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -113.069218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.069218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.069218 (E_RNA)
where:
Base-Base interactions energy: -50.493
where: short stacking energy: -47.637
Base-Backbone interact. energy: -0.098
local terms energy: -62.478517
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -14.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -97.027458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.027458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.027458 (E_RNA)
where:
Base-Base interactions energy: -40.761
where: short stacking energy: -37.657
Base-Backbone interact. energy: 0.409
local terms energy: -56.675228
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -78.730840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.730840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.730840 (E_RNA)
where:
Base-Base interactions energy: -32.538
where: short stacking energy: -30.165
Base-Backbone interact. energy: -0.267
local terms energy: -45.925515
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -10.105
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -82.036000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.036000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.036000 (E_RNA)
where:
Base-Base interactions energy: -29.223
where: short stacking energy: -28.734
Base-Backbone interact. energy: -0.210
local terms energy: -52.603471
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -77.324286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.324286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.324286 (E_RNA)
where:
Base-Base interactions energy: -26.323
where: short stacking energy: -19.020
Base-Backbone interact. energy: -0.016
local terms energy: -50.985165
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -218.975369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.975369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.975369 (E_RNA)
where:
Base-Base interactions energy: -141.419
where: short stacking energy: -60.302
Base-Backbone interact. energy: 0.395
local terms energy: -77.950936
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -204.595784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.595784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.595784 (E_RNA)
where:
Base-Base interactions energy: -135.840
where: short stacking energy: -56.616
Base-Backbone interact. energy: -0.633
local terms energy: -68.123559
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -179.273839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.273839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.273839 (E_RNA)
where:
Base-Base interactions energy: -119.867
where: short stacking energy: -49.576
Base-Backbone interact. energy: -1.379
local terms energy: -58.028115
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -10.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -192.504674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.504674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.504674 (E_RNA)
where:
Base-Base interactions energy: -135.921
where: short stacking energy: -54.856
Base-Backbone interact. energy: 0.309
local terms energy: -56.892218
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -160.797830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.797830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.797830 (E_RNA)
where:
Base-Base interactions energy: -99.009
where: short stacking energy: -41.527
Base-Backbone interact. energy: -0.446
local terms energy: -61.342887
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -89.668907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668907 (E_RNA)
where:
Base-Base interactions energy: -36.053
where: short stacking energy: -36.052
Base-Backbone interact. energy: -0.096
local terms energy: -53.519062
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -9.355
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: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -90.014771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.014771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.014771 (E_RNA)
where:
Base-Base interactions energy: -33.371
where: short stacking energy: -33.148
Base-Backbone interact. energy: -0.024
local terms energy: -56.619658
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -7.198
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -92.293186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.293186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.293186 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -37.928
Base-Backbone interact. energy: 0.896
local terms energy: -52.601718
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: 2.919
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: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -77.411076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.411076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.411076 (E_RNA)
where:
Base-Base interactions energy: -28.795
where: short stacking energy: -28.300
Base-Backbone interact. energy: -0.470
local terms energy: -48.145354
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -68.731009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.731009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.731009 (E_RNA)
where:
Base-Base interactions energy: -20.907
where: short stacking energy: -20.501
Base-Backbone interact. energy: -0.145
local terms energy: -47.678975
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.510
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: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -204.560239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.560239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.560239 (E_RNA)
where:
Base-Base interactions energy: -146.552
where: short stacking energy: -58.745
Base-Backbone interact. energy: -0.276
local terms energy: -57.732487
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -215.015804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.015804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.015804 (E_RNA)
where:
Base-Base interactions energy: -140.947
where: short stacking energy: -62.255
Base-Backbone interact. energy: -0.625
local terms energy: -73.443917
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -18.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -192.813248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.813248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.813248 (E_RNA)
where:
Base-Base interactions energy: -124.969
where: short stacking energy: -49.422
Base-Backbone interact. energy: 0.012
local terms energy: -67.855769
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -10.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -194.402329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.402329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.402329 (E_RNA)
where:
Base-Base interactions energy: -134.985
where: short stacking energy: -58.306
Base-Backbone interact. energy: -0.171
local terms energy: -59.246273
where:
bonds (distance) C4'-P energy: -8.365
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -169.522778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.522778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.522778 (E_RNA)
where:
Base-Base interactions energy: -115.835
where: short stacking energy: -57.876
Base-Backbone interact. energy: 0.023
local terms energy: -53.710352
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -8.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -93.542583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.542583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.542583 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -31.413
Base-Backbone interact. energy: 0.043
local terms energy: -58.691905
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -96.173191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.173191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.173191 (E_RNA)
where:
Base-Base interactions energy: -43.341
where: short stacking energy: -43.341
Base-Backbone interact. energy: -0.160
local terms energy: -52.671547
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -90.749045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.749045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.749045 (E_RNA)
where:
Base-Base interactions energy: -42.760
where: short stacking energy: -33.649
Base-Backbone interact. energy: -0.141
local terms energy: -47.847891
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -0.412
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -80.797698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.797698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.797698 (E_RNA)
where:
Base-Base interactions energy: -26.236
where: short stacking energy: -24.099
Base-Backbone interact. energy: -1.369
local terms energy: -53.192921
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -82.407160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.407160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.407160 (E_RNA)
where:
Base-Base interactions energy: -32.779
where: short stacking energy: -32.779
Base-Backbone interact. energy: -0.300
local terms energy: -49.328607
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -203.963845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.963845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.963845 (E_RNA)
where:
Base-Base interactions energy: -140.353
where: short stacking energy: -53.969
Base-Backbone interact. energy: -0.773
local terms energy: -62.838026
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -209.644454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.644454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.644454 (E_RNA)
where:
Base-Base interactions energy: -132.767
where: short stacking energy: -62.423
Base-Backbone interact. energy: -0.621
local terms energy: -76.255991
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -19.987
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: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -186.495413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.495413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.495413 (E_RNA)
where:
Base-Base interactions energy: -108.042
where: short stacking energy: -61.998
Base-Backbone interact. energy: -0.000
local terms energy: -78.453318
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -181.569597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.569597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.569597 (E_RNA)
where:
Base-Base interactions energy: -110.418
where: short stacking energy: -53.285
Base-Backbone interact. energy: 0.501
local terms energy: -71.652216
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -165.229622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.229622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.229622 (E_RNA)
where:
Base-Base interactions energy: -100.273
where: short stacking energy: -54.226
Base-Backbone interact. energy: -0.054
local terms energy: -64.902971
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -11.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -91.739842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.739842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.739842 (E_RNA)
where:
Base-Base interactions energy: -37.634
where: short stacking energy: -27.504
Base-Backbone interact. energy: -0.394
local terms energy: -53.711751
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -97.370526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.370526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.370526 (E_RNA)
where:
Base-Base interactions energy: -37.058
where: short stacking energy: -35.404
Base-Backbone interact. energy: -0.073
local terms energy: -60.239196
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -82.929344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.929344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.929344 (E_RNA)
where:
Base-Base interactions energy: -34.846
where: short stacking energy: -33.137
Base-Backbone interact. energy: -0.143
local terms energy: -47.941046
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -80.588462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.588462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.588462 (E_RNA)
where:
Base-Base interactions energy: -35.913
where: short stacking energy: -35.913
Base-Backbone interact. energy: -0.130
local terms energy: -44.545889
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -77.960776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.960776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.960776 (E_RNA)
where:
Base-Base interactions energy: -19.082
where: short stacking energy: -18.068
Base-Backbone interact. energy: -0.177
local terms energy: -58.701415
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: 0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -222.054483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.054483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.054483 (E_RNA)
where:
Base-Base interactions energy: -141.163
where: short stacking energy: -67.923
Base-Backbone interact. energy: -0.016
local terms energy: -80.876383
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -22.175
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: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -205.211124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.211124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.211124 (E_RNA)
where:
Base-Base interactions energy: -136.970
where: short stacking energy: -57.608
Base-Backbone interact. energy: -0.124
local terms energy: -68.117191
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -179.743284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.743284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.743284 (E_RNA)
where:
Base-Base interactions energy: -113.590
where: short stacking energy: -68.055
Base-Backbone interact. energy: -0.003
local terms energy: -66.150184
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -165.066769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.066769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.066769 (E_RNA)
where:
Base-Base interactions energy: -105.360
where: short stacking energy: -41.100
Base-Backbone interact. energy: -1.120
local terms energy: -58.587362
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -4.202
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: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -148.221753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.221753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.221753 (E_RNA)
where:
Base-Base interactions energy: -88.341
where: short stacking energy: -44.151
Base-Backbone interact. energy: -0.072
local terms energy: -59.809039
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -97.031791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.031791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.031791 (E_RNA)
where:
Base-Base interactions energy: -43.509
where: short stacking energy: -36.442
Base-Backbone interact. energy: 0.205
local terms energy: -53.727323
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -5.041
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: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -88.383700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.383700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.383700 (E_RNA)
where:
Base-Base interactions energy: -45.823
where: short stacking energy: -35.405
Base-Backbone interact. energy: -0.114
local terms energy: -42.446318
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -8.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -82.643884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.643884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.643884 (E_RNA)
where:
Base-Base interactions energy: -38.980
where: short stacking energy: -22.012
Base-Backbone interact. energy: 4.742
local terms energy: -48.406116
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: 1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -78.610650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.610650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.610650 (E_RNA)
where:
Base-Base interactions energy: -36.726
where: short stacking energy: -21.117
Base-Backbone interact. energy: -0.326
local terms energy: -41.558199
where:
bonds (distance) C4'-P energy: -7.403
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -81.402237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.402237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.402237 (E_RNA)
where:
Base-Base interactions energy: -35.314
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.250
local terms energy: -45.837547
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -218.664751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.664751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.664751 (E_RNA)
where:
Base-Base interactions energy: -144.171
where: short stacking energy: -63.828
Base-Backbone interact. energy: -0.035
local terms energy: -74.458610
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -16.437
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: 133
Temperature: 0.950000
Total energy: -192.274802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.274802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.274802 (E_RNA)
where:
Base-Base interactions energy: -125.938
where: short stacking energy: -55.104
Base-Backbone interact. energy: -1.591
local terms energy: -64.745654
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -14.947
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: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -176.693150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.693150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.693150 (E_RNA)
where:
Base-Base interactions energy: -106.501
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.005
local terms energy: -70.186249
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -165.049879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.049879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.049879 (E_RNA)
where:
Base-Base interactions energy: -94.627
where: short stacking energy: -48.860
Base-Backbone interact. energy: -0.712
local terms energy: -69.711558
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -8.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -162.532569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.532569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.532569 (E_RNA)
where:
Base-Base interactions energy: -98.560
where: short stacking energy: -47.319
Base-Backbone interact. energy: -0.010
local terms energy: -63.962062
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -113.961800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.961800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.961800 (E_RNA)
where:
Base-Base interactions energy: -54.952
where: short stacking energy: -38.076
Base-Backbone interact. energy: -0.364
local terms energy: -58.646202
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -5.111
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: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -95.732969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.732969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.732969 (E_RNA)
where:
Base-Base interactions energy: -36.560
where: short stacking energy: -36.560
Base-Backbone interact. energy: -0.131
local terms energy: -59.041555
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -106.595266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.595266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.595266 (E_RNA)
where:
Base-Base interactions energy: -44.979
where: short stacking energy: -44.979
Base-Backbone interact. energy: -0.037
local terms energy: -61.579799
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -11.637
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: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -90.141291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.141291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.141291 (E_RNA)
where:
Base-Base interactions energy: -37.866
where: short stacking energy: -23.546
Base-Backbone interact. energy: -0.191
local terms energy: -52.084458
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -0.068
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: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -75.658987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.658987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.658987 (E_RNA)
where:
Base-Base interactions energy: -31.544
where: short stacking energy: -31.544
Base-Backbone interact. energy: 0.007
local terms energy: -44.122372
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -213.988895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.988895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.988895 (E_RNA)
where:
Base-Base interactions energy: -137.789
where: short stacking energy: -61.789
Base-Backbone interact. energy: 2.320
local terms energy: -78.519451
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -196.434072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.434072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.434072 (E_RNA)
where:
Base-Base interactions energy: -130.706
where: short stacking energy: -49.722
Base-Backbone interact. energy: -0.540
local terms energy: -65.188680
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -173.723541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.723541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.723541 (E_RNA)
where:
Base-Base interactions energy: -105.605
where: short stacking energy: -54.311
Base-Backbone interact. energy: -0.049
local terms energy: -68.069131
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -11.750
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: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -158.972942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.972942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.972942 (E_RNA)
where:
Base-Base interactions energy: -97.339
where: short stacking energy: -54.089
Base-Backbone interact. energy: -0.127
local terms energy: -61.507121
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -168.321054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.321054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.321054 (E_RNA)
where:
Base-Base interactions energy: -98.946
where: short stacking energy: -49.883
Base-Backbone interact. energy: -0.895
local terms energy: -68.480530
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -9.649
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: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -109.789002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.789002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.789002 (E_RNA)
where:
Base-Base interactions energy: -46.211
where: short stacking energy: -45.768
Base-Backbone interact. energy: -0.124
local terms energy: -63.454043
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -8.629
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: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -97.750067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.750067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.750067 (E_RNA)
where:
Base-Base interactions energy: -53.465
where: short stacking energy: -42.741
Base-Backbone interact. energy: -0.257
local terms energy: -44.028792
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -90.756081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.756081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.756081 (E_RNA)
where:
Base-Base interactions energy: -48.419
where: short stacking energy: -27.926
Base-Backbone interact. energy: -0.209
local terms energy: -42.127808
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -78.802611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.802611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.802611 (E_RNA)
where:
Base-Base interactions energy: -26.788
where: short stacking energy: -26.788
Base-Backbone interact. energy: -0.019
local terms energy: -51.994729
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -90.229433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.229433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.229433 (E_RNA)
where:
Base-Base interactions energy: -39.388
where: short stacking energy: -39.388
Base-Backbone interact. energy: 0.931
local terms energy: -51.772545
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -8.737
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: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -216.915658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.915658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.915658 (E_RNA)
where:
Base-Base interactions energy: -138.599
where: short stacking energy: -66.997
Base-Backbone interact. energy: -0.004
local terms energy: -78.312818
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -201.033607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.033607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.033607 (E_RNA)
where:
Base-Base interactions energy: -132.724
where: short stacking energy: -64.544
Base-Backbone interact. energy: 0.406
local terms energy: -68.715873
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -170.596421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.596421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.596421 (E_RNA)
where:
Base-Base interactions energy: -102.084
where: short stacking energy: -61.397
Base-Backbone interact. energy: -0.022
local terms energy: -68.490857
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -164.942433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.942433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.942433 (E_RNA)
where:
Base-Base interactions energy: -101.332
where: short stacking energy: -40.908
Base-Backbone interact. energy: -0.839
local terms energy: -62.771462
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -174.739975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.739975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.739975 (E_RNA)
where:
Base-Base interactions energy: -104.150
where: short stacking energy: -53.569
Base-Backbone interact. energy: -0.030
local terms energy: -70.559838
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -18.090
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: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -112.914707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.914707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.914707 (E_RNA)
where:
Base-Base interactions energy: -65.148
where: short stacking energy: -36.078
Base-Backbone interact. energy: -0.380
local terms energy: -47.386511
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -9.154
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -96.322615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.322615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.322615 (E_RNA)
where:
Base-Base interactions energy: -41.247
where: short stacking energy: -32.863
Base-Backbone interact. energy: -0.418
local terms energy: -54.658095
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -6.907
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: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -108.250354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.250354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.250354 (E_RNA)
where:
Base-Base interactions energy: -54.834
where: short stacking energy: -32.743
Base-Backbone interact. energy: 0.523
local terms energy: -53.939316
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -8.541
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: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -81.380571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.380571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.380571 (E_RNA)
where:
Base-Base interactions energy: -28.826
where: short stacking energy: -23.853
Base-Backbone interact. energy: -0.532
local terms energy: -52.022037
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -80.427013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.427013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.427013 (E_RNA)
where:
Base-Base interactions energy: -32.983
where: short stacking energy: -27.286
Base-Backbone interact. energy: -0.114
local terms energy: -47.330095
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -7.712
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -216.014512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.014512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.014512 (E_RNA)
where:
Base-Base interactions energy: -150.482
where: short stacking energy: -59.916
Base-Backbone interact. energy: -0.080
local terms energy: -65.452179
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -14.141
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: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -199.224731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.224731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.224731 (E_RNA)
where:
Base-Base interactions energy: -123.743
where: short stacking energy: -62.725
Base-Backbone interact. energy: -0.001
local terms energy: -75.480435
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -19.928
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: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -164.760958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.760958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.760958 (E_RNA)
where:
Base-Base interactions energy: -96.472
where: short stacking energy: -49.493
Base-Backbone interact. energy: -0.056
local terms energy: -68.232884
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -12.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -166.410057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.410057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.410057 (E_RNA)
where:
Base-Base interactions energy: -94.404
where: short stacking energy: -44.629
Base-Backbone interact. energy: -0.012
local terms energy: -71.994204
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -169.388884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.388884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.388884 (E_RNA)
where:
Base-Base interactions energy: -95.727
where: short stacking energy: -53.065
Base-Backbone interact. energy: -0.531
local terms energy: -73.131530
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -99.815401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.815401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.815401 (E_RNA)
where:
Base-Base interactions energy: -45.011
where: short stacking energy: -45.011
Base-Backbone interact. energy: -0.071
local terms energy: -54.733461
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -91.401546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.401546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.401546 (E_RNA)
where:
Base-Base interactions energy: -34.222
where: short stacking energy: -28.336
Base-Backbone interact. energy: -1.272
local terms energy: -55.907277
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -9.979
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: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -85.899848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.899848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.899848 (E_RNA)
where:
Base-Base interactions energy: -30.667
where: short stacking energy: -29.431
Base-Backbone interact. energy: -1.095
local terms energy: -54.138178
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -2.334
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: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -80.375287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.375287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.375287 (E_RNA)
where:
Base-Base interactions energy: -25.662
where: short stacking energy: -25.662
Base-Backbone interact. energy: -0.079
local terms energy: -54.634584
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -76.852794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.852794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.852794 (E_RNA)
where:
Base-Base interactions energy: -29.856
where: short stacking energy: -26.599
Base-Backbone interact. energy: -0.024
local terms energy: -46.972025
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -4.077
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: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -227.300696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.300696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.300696 (E_RNA)
where:
Base-Base interactions energy: -150.968
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.356
local terms energy: -75.976875
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -9.000
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: 2, replica: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -186.366546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.366546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.366546 (E_RNA)
where:
Base-Base interactions energy: -117.507
where: short stacking energy: -57.565
Base-Backbone interact. energy: -0.073
local terms energy: -68.786558
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: -18.181
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: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -159.528565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.528565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.528565 (E_RNA)
where:
Base-Base interactions energy: -91.461
where: short stacking energy: -52.412
Base-Backbone interact. energy: 0.105
local terms energy: -68.172217
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -10.674
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: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -181.512881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.512881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.512881 (E_RNA)
where:
Base-Base interactions energy: -112.148
where: short stacking energy: -48.863
Base-Backbone interact. energy: -0.303
local terms energy: -69.061809
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -164.189204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.189204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.189204 (E_RNA)
where:
Base-Base interactions energy: -103.130
where: short stacking energy: -50.251
Base-Backbone interact. energy: -0.815
local terms energy: -60.243743
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -13.935
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: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -122.199147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.199147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.199147 (E_RNA)
where:
Base-Base interactions energy: -66.368
where: short stacking energy: -45.543
Base-Backbone interact. energy: 1.272
local terms energy: -57.103063
where:
bonds (distance) C4'-P energy: -8.078
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -106.346906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.346906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.346906 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -41.488
Base-Backbone interact. energy: 0.003
local terms energy: -64.861857
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.202
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: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -87.972577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.972577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.972577 (E_RNA)
where:
Base-Base interactions energy: -44.873
where: short stacking energy: -32.801
Base-Backbone interact. energy: -0.069
local terms energy: -43.030843
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -98.974924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.974924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.974924 (E_RNA)
where:
Base-Base interactions energy: -41.003
where: short stacking energy: -29.191
Base-Backbone interact. energy: -0.092
local terms energy: -57.879937
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -87.604895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.604895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.604895 (E_RNA)
where:
Base-Base interactions energy: -41.010
where: short stacking energy: -36.299
Base-Backbone interact. energy: -0.008
local terms energy: -46.586997
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -6.686
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -201.787118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.787118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.787118 (E_RNA)
where:
Base-Base interactions energy: -135.682
where: short stacking energy: -60.068
Base-Backbone interact. energy: -0.109
local terms energy: -65.996892
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -5.455
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: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -205.747149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.747149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.747149 (E_RNA)
where:
Base-Base interactions energy: -138.453
where: short stacking energy: -65.063
Base-Backbone interact. energy: -0.483
local terms energy: -66.811745
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -188.001617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.001617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.001617 (E_RNA)
where:
Base-Base interactions energy: -125.998
where: short stacking energy: -62.516
Base-Backbone interact. energy: -0.002
local terms energy: -62.001646
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -160.230077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.230077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.230077 (E_RNA)
where:
Base-Base interactions energy: -98.701
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.092
local terms energy: -61.437382
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -8.157
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: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -138.324236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.324236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.324236 (E_RNA)
where:
Base-Base interactions energy: -82.144
where: short stacking energy: -40.907
Base-Backbone interact. energy: -0.327
local terms energy: -55.852893
where:
bonds (distance) C4'-P energy: -7.603
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -90.999484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.999484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.999484 (E_RNA)
where:
Base-Base interactions energy: -34.678
where: short stacking energy: -34.678
Base-Backbone interact. energy: -0.044
local terms energy: -56.277060
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -8.820
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: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -101.980188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.980188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.980188 (E_RNA)
where:
Base-Base interactions energy: -39.395
where: short stacking energy: -39.395
Base-Backbone interact. energy: -0.203
local terms energy: -62.382638
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -6.414
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: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -84.296732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.296732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.296732 (E_RNA)
where:
Base-Base interactions energy: -32.518
where: short stacking energy: -29.921
Base-Backbone interact. energy: -0.328
local terms energy: -51.450501
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -7.495
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -89.753092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.753092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.753092 (E_RNA)
where:
Base-Base interactions energy: -36.081
where: short stacking energy: -35.936
Base-Backbone interact. energy: 0.336
local terms energy: -54.007947
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -5.227
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: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -73.977813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.977813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.977813 (E_RNA)
where:
Base-Base interactions energy: -22.874
where: short stacking energy: -22.185
Base-Backbone interact. energy: -0.225
local terms energy: -50.879103
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -6.703
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: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -208.564349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.564349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.564349 (E_RNA)
where:
Base-Base interactions energy: -138.726
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.067
local terms energy: -69.772095
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -203.246673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.246673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.246673 (E_RNA)
where:
Base-Base interactions energy: -132.503
where: short stacking energy: -68.327
Base-Backbone interact. energy: -0.925
local terms energy: -69.818586
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -190.723320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.723320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.723320 (E_RNA)
where:
Base-Base interactions energy: -124.776
where: short stacking energy: -64.097
Base-Backbone interact. energy: -0.107
local terms energy: -65.839662
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -148.105593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.105593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.105593 (E_RNA)
where:
Base-Base interactions energy: -82.043
where: short stacking energy: -49.219
Base-Backbone interact. energy: 0.227
local terms energy: -66.290112
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -12.054
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: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -150.043142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.043142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.043142 (E_RNA)
where:
Base-Base interactions energy: -84.566
where: short stacking energy: -38.785
Base-Backbone interact. energy: 0.721
local terms energy: -66.198222
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -9.663
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: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -101.775121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.775121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.775121 (E_RNA)
where:
Base-Base interactions energy: -41.699
where: short stacking energy: -41.097
Base-Backbone interact. energy: -0.294
local terms energy: -59.782107
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -94.237051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.237051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.237051 (E_RNA)
where:
Base-Base interactions energy: -37.018
where: short stacking energy: -32.643
Base-Backbone interact. energy: -0.069
local terms energy: -57.150255
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -11.005
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: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -96.369789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.369789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.369789 (E_RNA)
where:
Base-Base interactions energy: -47.948
where: short stacking energy: -43.763
Base-Backbone interact. energy: -0.028
local terms energy: -48.394150
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -9.511
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -78.245673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.245673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.245673 (E_RNA)
where:
Base-Base interactions energy: -27.606
where: short stacking energy: -25.644
Base-Backbone interact. energy: -0.007
local terms energy: -50.632658
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -72.495408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.495408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.495408 (E_RNA)
where:
Base-Base interactions energy: -18.504
where: short stacking energy: -18.044
Base-Backbone interact. energy: -0.308
local terms energy: -53.683085
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -212.039946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.039946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.039946 (E_RNA)
where:
Base-Base interactions energy: -137.967
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.387
local terms energy: -73.686131
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -11.380
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: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -213.144728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.144728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.144728 (E_RNA)
where:
Base-Base interactions energy: -144.857
where: short stacking energy: -57.677
Base-Backbone interact. energy: -0.012
local terms energy: -68.275162
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -8.649
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: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -149.124227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.124227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.124227 (E_RNA)
where:
Base-Base interactions energy: -94.616
where: short stacking energy: -43.482
Base-Backbone interact. energy: -0.287
local terms energy: -54.220927
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -8.168
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -193.978003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.978003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.978003 (E_RNA)
where:
Base-Base interactions energy: -122.332
where: short stacking energy: -55.022
Base-Backbone interact. energy: -0.732
local terms energy: -70.914002
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -9.247
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: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -103.161775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.161775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.161775 (E_RNA)
where:
Base-Base interactions energy: -48.505
where: short stacking energy: -36.330
Base-Backbone interact. energy: 2.040
local terms energy: -56.697367
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -128.546301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.546301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.546301 (E_RNA)
where:
Base-Base interactions energy: -80.334
where: short stacking energy: -48.281
Base-Backbone interact. energy: -0.179
local terms energy: -48.033592
where:
bonds (distance) C4'-P energy: -2.634
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -10.478
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: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -93.462232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.462232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.462232 (E_RNA)
where:
Base-Base interactions energy: -34.385
where: short stacking energy: -33.805
Base-Backbone interact. energy: -0.154
local terms energy: -58.922862
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -83.326329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.326329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.326329 (E_RNA)
where:
Base-Base interactions energy: -28.017
where: short stacking energy: -28.017
Base-Backbone interact. energy: -0.203
local terms energy: -55.106629
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -8.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -80.249952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.249952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.249952 (E_RNA)
where:
Base-Base interactions energy: -30.429
where: short stacking energy: -29.661
Base-Backbone interact. energy: 2.332
local terms energy: -52.152594
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -11.752
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: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -69.477930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.477930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.477930 (E_RNA)
where:
Base-Base interactions energy: -28.232
where: short stacking energy: -22.442
Base-Backbone interact. energy: -0.271
local terms energy: -40.974569
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -11.410
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -2.937
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -212.480063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.480063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.480063 (E_RNA)
where:
Base-Base interactions energy: -136.362
where: short stacking energy: -58.683
Base-Backbone interact. energy: -0.008
local terms energy: -76.109813
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -19.653
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: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -210.604503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.604503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.604503 (E_RNA)
where:
Base-Base interactions energy: -141.379
where: short stacking energy: -50.098
Base-Backbone interact. energy: -0.336
local terms energy: -68.889371
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -15.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -156.008536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.008536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.008536 (E_RNA)
where:
Base-Base interactions energy: -100.077
where: short stacking energy: -45.781
Base-Backbone interact. energy: -0.234
local terms energy: -55.696987
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -126.512583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.512583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.512583 (E_RNA)
where:
Base-Base interactions energy: -58.410
where: short stacking energy: -51.107
Base-Backbone interact. energy: -0.026
local terms energy: -68.077068
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -15.809
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: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -160.791634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.791634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.791634 (E_RNA)
where:
Base-Base interactions energy: -96.860
where: short stacking energy: -57.722
Base-Backbone interact. energy: -0.268
local terms energy: -63.663593
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -130.435978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.435978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.435978 (E_RNA)
where:
Base-Base interactions energy: -71.991
where: short stacking energy: -45.555
Base-Backbone interact. energy: -0.498
local terms energy: -57.947238
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -12.409
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: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -104.736531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.736531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.736531 (E_RNA)
where:
Base-Base interactions energy: -54.673
where: short stacking energy: -36.857
Base-Backbone interact. energy: -0.130
local terms energy: -49.933409
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -81.879078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.879078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.879078 (E_RNA)
where:
Base-Base interactions energy: -30.774
where: short stacking energy: -21.899
Base-Backbone interact. energy: -0.241
local terms energy: -50.863346
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -85.997171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.997171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.997171 (E_RNA)
where:
Base-Base interactions energy: -33.023
where: short stacking energy: -31.198
Base-Backbone interact. energy: -0.089
local terms energy: -52.885592
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -89.034091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.034091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.034091 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -32.851
Base-Backbone interact. energy: -0.221
local terms energy: -53.509487
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -196.780571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.780571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.780571 (E_RNA)
where:
Base-Base interactions energy: -134.199
where: short stacking energy: -55.872
Base-Backbone interact. energy: -0.679
local terms energy: -61.903026
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -209.723385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.723385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.723385 (E_RNA)
where:
Base-Base interactions energy: -142.543
where: short stacking energy: -66.517
Base-Backbone interact. energy: -0.002
local terms energy: -67.178520
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -168.521378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.521378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.521378 (E_RNA)
where:
Base-Base interactions energy: -105.227
where: short stacking energy: -60.659
Base-Backbone interact. energy: -0.008
local terms energy: -63.286356
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -12.133
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: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -136.598383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.598383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.598383 (E_RNA)
where:
Base-Base interactions energy: -80.953
where: short stacking energy: -42.370
Base-Backbone interact. energy: -0.157
local terms energy: -55.488134
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -3.885
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: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -156.809393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.809393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.809393 (E_RNA)
where:
Base-Base interactions energy: -99.103
where: short stacking energy: -43.976
Base-Backbone interact. energy: -0.600
local terms energy: -57.106621
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -156.369379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.369379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.369379 (E_RNA)
where:
Base-Base interactions energy: -83.991
where: short stacking energy: -49.224
Base-Backbone interact. energy: -0.015
local terms energy: -72.363416
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -90.337036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.337036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.337036 (E_RNA)
where:
Base-Base interactions energy: -32.681
where: short stacking energy: -30.110
Base-Backbone interact. energy: -0.279
local terms energy: -57.376327
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -88.013641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.013641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.013641 (E_RNA)
where:
Base-Base interactions energy: -39.059
where: short stacking energy: -39.320
Base-Backbone interact. energy: -0.725
local terms energy: -48.229356
where:
bonds (distance) C4'-P energy: -8.954
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -78.221095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.221095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.221095 (E_RNA)
where:
Base-Base interactions energy: -27.155
where: short stacking energy: -26.711
Base-Backbone interact. energy: -0.200
local terms energy: -50.866277
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: 2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -79.055630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.055630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.055630 (E_RNA)
where:
Base-Base interactions energy: -34.364
where: short stacking energy: -26.187
Base-Backbone interact. energy: -0.144
local terms energy: -44.547340
where:
bonds (distance) C4'-P energy: -7.637
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: 2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -212.879267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.879267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.879267 (E_RNA)
where:
Base-Base interactions energy: -144.741
where: short stacking energy: -63.654
Base-Backbone interact. energy: -0.081
local terms energy: -68.056793
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -204.531108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.531108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.531108 (E_RNA)
where:
Base-Base interactions energy: -124.972
where: short stacking energy: -54.090
Base-Backbone interact. energy: -0.738
local terms energy: -78.821009
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -17.964
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: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -175.794197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.794197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.794197 (E_RNA)
where:
Base-Base interactions energy: -103.098
where: short stacking energy: -60.087
Base-Backbone interact. energy: -0.017
local terms energy: -72.679677
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -176.507940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.507940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.507940 (E_RNA)
where:
Base-Base interactions energy: -112.748
where: short stacking energy: -45.940
Base-Backbone interact. energy: -0.402
local terms energy: -63.358459
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -10.510
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: 143
Temperature: 1.100000
Total energy: -152.951061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.951061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.951061 (E_RNA)
where:
Base-Base interactions energy: -92.284
where: short stacking energy: -47.947
Base-Backbone interact. energy: -0.010
local terms energy: -60.656260
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -98.104926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.104926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.104926 (E_RNA)
where:
Base-Base interactions energy: -36.913
where: short stacking energy: -30.853
Base-Backbone interact. energy: -0.175
local terms energy: -61.017305
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -99.362074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.362074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.362074 (E_RNA)
where:
Base-Base interactions energy: -47.059
where: short stacking energy: -33.048
Base-Backbone interact. energy: -0.067
local terms energy: -52.235757
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -4.363
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: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -92.994381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.994381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.994381 (E_RNA)
where:
Base-Base interactions energy: -37.115
where: short stacking energy: -37.115
Base-Backbone interact. energy: -0.065
local terms energy: -55.814617
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -81.057799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.057799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.057799 (E_RNA)
where:
Base-Base interactions energy: -40.584
where: short stacking energy: -20.192
Base-Backbone interact. energy: 0.644
local terms energy: -41.117687
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: 4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -90.076931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.076931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.076931 (E_RNA)
where:
Base-Base interactions energy: -38.746
where: short stacking energy: -33.387
Base-Backbone interact. energy: -0.214
local terms energy: -51.117722
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -212.310059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.310059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.310059 (E_RNA)
where:
Base-Base interactions energy: -138.821
where: short stacking energy: -66.083
Base-Backbone interact. energy: -0.266
local terms energy: -73.222604
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -210.335439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.335439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.335439 (E_RNA)
where:
Base-Base interactions energy: -134.885
where: short stacking energy: -69.448
Base-Backbone interact. energy: 1.007
local terms energy: -76.457756
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -186.009875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.009875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.009875 (E_RNA)
where:
Base-Base interactions energy: -119.147
where: short stacking energy: -51.689
Base-Backbone interact. energy: -0.735
local terms energy: -66.127779
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -8.149
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: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -177.053238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.053238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.053238 (E_RNA)
where:
Base-Base interactions energy: -112.160
where: short stacking energy: -63.992
Base-Backbone interact. energy: -0.000
local terms energy: -64.892429
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -161.133817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.133817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.133817 (E_RNA)
where:
Base-Base interactions energy: -97.609
where: short stacking energy: -41.042
Base-Backbone interact. energy: -0.779
local terms energy: -62.746728
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -10.711
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: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -98.644393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.644393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.644393 (E_RNA)
where:
Base-Base interactions energy: -46.794
where: short stacking energy: -39.809
Base-Backbone interact. energy: 0.025
local terms energy: -51.875635
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -85.163360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.163360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.163360 (E_RNA)
where:
Base-Base interactions energy: -37.451
where: short stacking energy: -34.713
Base-Backbone interact. energy: -1.111
local terms energy: -46.601740
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -9.456
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -9.596
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: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -87.802371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.802371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.802371 (E_RNA)
where:
Base-Base interactions energy: -33.850
where: short stacking energy: -31.182
Base-Backbone interact. energy: -0.098
local terms energy: -53.854235
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -77.206976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.206976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.206976 (E_RNA)
where:
Base-Base interactions energy: -21.755
where: short stacking energy: -21.755
Base-Backbone interact. energy: -0.338
local terms energy: -55.114600
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -9.290
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: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -81.475664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.475664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.475664 (E_RNA)
where:
Base-Base interactions energy: -32.273
where: short stacking energy: -29.382
Base-Backbone interact. energy: -0.330
local terms energy: -48.872370
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -217.463408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.463408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.463408 (E_RNA)
where:
Base-Base interactions energy: -143.176
where: short stacking energy: -61.612
Base-Backbone interact. energy: -0.308
local terms energy: -73.979640
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -20.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -198.624981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.624981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.624981 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -60.950
Base-Backbone interact. energy: -0.312
local terms energy: -65.971621
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -14.412
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: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -190.754977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.754977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.754977 (E_RNA)
where:
Base-Base interactions energy: -136.926
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.227
local terms energy: -53.602118
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -8.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -167.423400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.423400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.423400 (E_RNA)
where:
Base-Base interactions energy: -97.418
where: short stacking energy: -62.555
Base-Backbone interact. energy: -0.001
local terms energy: -70.004501
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -158.409418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.409418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.409418 (E_RNA)
where:
Base-Base interactions energy: -93.014
where: short stacking energy: -44.692
Base-Backbone interact. energy: 0.464
local terms energy: -65.859840
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -10.970
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: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -105.384340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.384340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.384340 (E_RNA)
where:
Base-Base interactions energy: -47.901
where: short stacking energy: -47.901
Base-Backbone interact. energy: -0.052
local terms energy: -57.430802
where:
bonds (distance) C4'-P energy: -7.010
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -105.446385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.446385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.446385 (E_RNA)
where:
Base-Base interactions energy: -43.286
where: short stacking energy: -38.489
Base-Backbone interact. energy: -0.399
local terms energy: -61.761517
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.743
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: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -95.289608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.289608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.289608 (E_RNA)
where:
Base-Base interactions energy: -39.357
where: short stacking energy: -36.517
Base-Backbone interact. energy: -0.243
local terms energy: -55.689422
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -77.773084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.773084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.773084 (E_RNA)
where:
Base-Base interactions energy: -34.796
where: short stacking energy: -21.885
Base-Backbone interact. energy: -0.298
local terms energy: -42.678568
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: 5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -76.061849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.061849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.061849 (E_RNA)
where:
Base-Base interactions energy: -34.325
where: short stacking energy: -21.554
Base-Backbone interact. energy: -0.677
local terms energy: -41.058998
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -5.577
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -211.722417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.722417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.722417 (E_RNA)
where:
Base-Base interactions energy: -138.498
where: short stacking energy: -60.291
Base-Backbone interact. energy: -0.165
local terms energy: -73.059032
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -10.907
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: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -193.098549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.098549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.098549 (E_RNA)
where:
Base-Base interactions energy: -130.319
where: short stacking energy: -49.277
Base-Backbone interact. energy: -0.156
local terms energy: -62.623040
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -12.881
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: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -170.595758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.595758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.595758 (E_RNA)
where:
Base-Base interactions energy: -104.148
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.028
local terms energy: -66.420222
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -13.956
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: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -168.270425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.270425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.270425 (E_RNA)
where:
Base-Base interactions energy: -108.386
where: short stacking energy: -48.274
Base-Backbone interact. energy: -0.074
local terms energy: -59.809937
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -9.758
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -165.183427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.183427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.183427 (E_RNA)
where:
Base-Base interactions energy: -101.031
where: short stacking energy: -54.614
Base-Backbone interact. energy: -0.376
local terms energy: -63.776568
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -15.318
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: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -97.489158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.489158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.489158 (E_RNA)
where:
Base-Base interactions energy: -38.829
where: short stacking energy: -34.234
Base-Backbone interact. energy: -0.235
local terms energy: -58.424740
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -101.506546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.506546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.506546 (E_RNA)
where:
Base-Base interactions energy: -48.333
where: short stacking energy: -37.379
Base-Backbone interact. energy: -0.415
local terms energy: -52.759379
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -5.545
flat angles P-C4'-P energy: -11.497
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: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -88.532144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.532144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.532144 (E_RNA)
where:
Base-Base interactions energy: -34.511
where: short stacking energy: -34.511
Base-Backbone interact. energy: -0.722
local terms energy: -53.299278
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -78.127158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.127158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.127158 (E_RNA)
where:
Base-Base interactions energy: -28.392
where: short stacking energy: -23.850
Base-Backbone interact. energy: -0.016
local terms energy: -49.719022
where:
bonds (distance) C4'-P energy: -7.104
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -3.872
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: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -86.333667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.333667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.333667 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -31.849
Base-Backbone interact. energy: -0.079
local terms energy: -49.062245
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: 1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -217.766001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.766001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.766001 (E_RNA)
where:
Base-Base interactions energy: -136.027
where: short stacking energy: -65.929
Base-Backbone interact. energy: -0.243
local terms energy: -81.495538
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -20.545
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: 147
Temperature: 0.950000
Total energy: -195.321593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.321593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.321593 (E_RNA)
where:
Base-Base interactions energy: -135.114
where: short stacking energy: -49.339
Base-Backbone interact. energy: -0.008
local terms energy: -60.199382
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -14.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -172.930124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.930124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.930124 (E_RNA)
where:
Base-Base interactions energy: -113.217
where: short stacking energy: -56.473
Base-Backbone interact. energy: -0.228
local terms energy: -59.485282
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -8.574
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: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -176.250805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.250805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.250805 (E_RNA)
where:
Base-Base interactions energy: -108.619
where: short stacking energy: -56.815
Base-Backbone interact. energy: -0.081
local terms energy: -67.550624
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -11.612
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: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -152.964901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.964901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.964901 (E_RNA)
where:
Base-Base interactions energy: -88.577
where: short stacking energy: -48.761
Base-Backbone interact. energy: 0.524
local terms energy: -64.912385
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -10.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -102.556326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.556326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.556326 (E_RNA)
where:
Base-Base interactions energy: -42.213
where: short stacking energy: -37.668
Base-Backbone interact. energy: -0.722
local terms energy: -59.621905
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -82.325278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.325278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.325278 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -33.251
Base-Backbone interact. energy: 1.501
local terms energy: -50.153231
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -86.898447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.898447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.898447 (E_RNA)
where:
Base-Base interactions energy: -31.259
where: short stacking energy: -26.891
Base-Backbone interact. energy: -0.078
local terms energy: -55.560572
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -2.127
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: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -93.801051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.801051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.801051 (E_RNA)
where:
Base-Base interactions energy: -44.542
where: short stacking energy: -19.811
Base-Backbone interact. energy: 1.494
local terms energy: -50.753006
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -82.411918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.411918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.411918 (E_RNA)
where:
Base-Base interactions energy: -27.115
where: short stacking energy: -26.670
Base-Backbone interact. energy: -0.188
local terms energy: -55.109347
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -5.023
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: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -217.863441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.863441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.863441 (E_RNA)
where:
Base-Base interactions energy: -142.877
where: short stacking energy: -61.922
Base-Backbone interact. energy: -0.331
local terms energy: -74.655495
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -200.335797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.335797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.335797 (E_RNA)
where:
Base-Base interactions energy: -135.364
where: short stacking energy: -51.861
Base-Backbone interact. energy: -0.227
local terms energy: -64.745435
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -12.241
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: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -182.940509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.940509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.940509 (E_RNA)
where:
Base-Base interactions energy: -119.618
where: short stacking energy: -62.242
Base-Backbone interact. energy: -0.003
local terms energy: -63.318779
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -161.991079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.991079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.991079 (E_RNA)
where:
Base-Base interactions energy: -93.370
where: short stacking energy: -52.931
Base-Backbone interact. energy: 0.310
local terms energy: -68.931110
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -108.815149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.815149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.815149 (E_RNA)
where:
Base-Base interactions energy: -57.095
where: short stacking energy: -30.921
Base-Backbone interact. energy: -0.072
local terms energy: -51.648140
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -6.768
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: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -91.697920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.697920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.697920 (E_RNA)
where:
Base-Base interactions energy: -35.472
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.210
local terms energy: -56.015643
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -6.720
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: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -103.017182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.017182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.017182 (E_RNA)
where:
Base-Base interactions energy: -45.217
where: short stacking energy: -36.015
Base-Backbone interact. energy: 1.410
local terms energy: -59.210154
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -81.433560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.433560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.433560 (E_RNA)
where:
Base-Base interactions energy: -29.490
where: short stacking energy: -29.469
Base-Backbone interact. energy: -0.075
local terms energy: -51.868114
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -10.488
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: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -79.206490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.206490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.206490 (E_RNA)
where:
Base-Base interactions energy: -35.741
where: short stacking energy: -29.926
Base-Backbone interact. energy: -0.243
local terms energy: -43.222689
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -8.697
flat angles P-C4'-P energy: -3.717
tors. eta vs tors. theta energy: -0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -81.983418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.983418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.983418 (E_RNA)
where:
Base-Base interactions energy: -33.601
where: short stacking energy: -29.466
Base-Backbone interact. energy: -0.110
local terms energy: -48.272116
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -216.188441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.188441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.188441 (E_RNA)
where:
Base-Base interactions energy: -139.035
where: short stacking energy: -65.528
Base-Backbone interact. energy: 1.399
local terms energy: -78.552273
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -190.132520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.132520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.132520 (E_RNA)
where:
Base-Base interactions energy: -124.017
where: short stacking energy: -60.217
Base-Backbone interact. energy: 0.800
local terms energy: -66.915782
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -10.331
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: 149
Temperature: 1.000000
Total energy: -179.574731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.574731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.574731 (E_RNA)
where:
Base-Base interactions energy: -111.802
where: short stacking energy: -54.940
Base-Backbone interact. energy: -0.050
local terms energy: -67.722659
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -188.881849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.881849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.881849 (E_RNA)
where:
Base-Base interactions energy: -124.822
where: short stacking energy: -54.681
Base-Backbone interact. energy: 0.202
local terms energy: -64.261991
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -6.725
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: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -115.361210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.361210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.361210 (E_RNA)
where:
Base-Base interactions energy: -50.900
where: short stacking energy: -34.640
Base-Backbone interact. energy: -1.297
local terms energy: -63.163704
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -7.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -107.688390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.688390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.688390 (E_RNA)
where:
Base-Base interactions energy: -60.677
where: short stacking energy: -34.102
Base-Backbone interact. energy: -1.027
local terms energy: -45.985147
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -2.199
tors. eta vs tors. theta energy: 2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -98.761119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.761119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.761119 (E_RNA)
where:
Base-Base interactions energy: -46.234
where: short stacking energy: -29.934
Base-Backbone interact. energy: -0.167
local terms energy: -52.360327
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -82.779328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.779328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.779328 (E_RNA)
where:
Base-Base interactions energy: -28.251
where: short stacking energy: -27.314
Base-Backbone interact. energy: -0.141
local terms energy: -54.387380
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -9.710
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: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -78.162418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.162418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.162418 (E_RNA)
where:
Base-Base interactions energy: -24.068
where: short stacking energy: -24.068
Base-Backbone interact. energy: -0.265
local terms energy: -53.829420
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -6.880
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: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -85.913910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.913910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.913910 (E_RNA)
where:
Base-Base interactions energy: -36.013
where: short stacking energy: -33.058
Base-Backbone interact. energy: -0.160
local terms energy: -49.740792
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -8.823
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -216.612174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.612174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.612174 (E_RNA)
where:
Base-Base interactions energy: -130.778
where: short stacking energy: -74.130
Base-Backbone interact. energy: -0.511
local terms energy: -85.322496
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -206.260548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.260548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.260548 (E_RNA)
where:
Base-Base interactions energy: -134.317
where: short stacking energy: -54.130
Base-Backbone interact. energy: -0.141
local terms energy: -71.803133
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -186.702725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.702725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.702725 (E_RNA)
where:
Base-Base interactions energy: -115.883
where: short stacking energy: -64.090
Base-Backbone interact. energy: -0.064
local terms energy: -70.756195
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -187.844143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.844143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.844143 (E_RNA)
where:
Base-Base interactions energy: -121.432
where: short stacking energy: -52.688
Base-Backbone interact. energy: -0.119
local terms energy: -66.293475
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -15.064
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: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -131.766393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.766393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.766393 (E_RNA)
where:
Base-Base interactions energy: -67.426
where: short stacking energy: -52.814
Base-Backbone interact. energy: -0.295
local terms energy: -64.045865
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -9.118
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: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -105.597283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.597283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.597283 (E_RNA)
where:
Base-Base interactions energy: -50.477
where: short stacking energy: -44.804
Base-Backbone interact. energy: -0.340
local terms energy: -54.780268
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -11.065
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: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -90.913257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.913257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.913257 (E_RNA)
where:
Base-Base interactions energy: -33.282
where: short stacking energy: -33.282
Base-Backbone interact. energy: -0.069
local terms energy: -57.562497
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -8.990
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: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -85.284105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.284105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.284105 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -29.086
Base-Backbone interact. energy: -0.511
local terms energy: -50.763425
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -84.601524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.601524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.601524 (E_RNA)
where:
Base-Base interactions energy: -27.070
where: short stacking energy: -24.311
Base-Backbone interact. energy: -0.265
local terms energy: -57.266242
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -76.158029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.158029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.158029 (E_RNA)
where:
Base-Base interactions energy: -23.986
where: short stacking energy: -23.325
Base-Backbone interact. energy: -0.083
local terms energy: -52.088894
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -220.417403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.417403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.417403 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -65.044
Base-Backbone interact. energy: 0.129
local terms energy: -75.187000
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -20.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -194.112252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.112252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.112252 (E_RNA)
where:
Base-Base interactions energy: -130.477
where: short stacking energy: -49.523
Base-Backbone interact. energy: -0.779
local terms energy: -62.855978
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -179.429545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.429545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.429545 (E_RNA)
where:
Base-Base interactions energy: -123.329
where: short stacking energy: -55.548
Base-Backbone interact. energy: -0.041
local terms energy: -56.060141
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -7.769
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -11.309
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: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -170.707546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.707546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.707546 (E_RNA)
where:
Base-Base interactions energy: -114.812
where: short stacking energy: -53.284
Base-Backbone interact. energy: 0.149
local terms energy: -56.044523
where:
bonds (distance) C4'-P energy: -7.052
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -9.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -117.521269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.521269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.521269 (E_RNA)
where:
Base-Base interactions energy: -59.334
where: short stacking energy: -40.288
Base-Backbone interact. energy: -1.243
local terms energy: -56.944618
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -95.621204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.621204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.621204 (E_RNA)
where:
Base-Base interactions energy: -43.367
where: short stacking energy: -33.584
Base-Backbone interact. energy: -0.064
local terms energy: -52.190043
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -3.828
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: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -89.765431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.765431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.765431 (E_RNA)
where:
Base-Base interactions energy: -31.144
where: short stacking energy: -30.326
Base-Backbone interact. energy: -1.614
local terms energy: -57.008009
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -104.933107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.933107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.933107 (E_RNA)
where:
Base-Base interactions energy: -43.854
where: short stacking energy: -43.854
Base-Backbone interact. energy: -0.147
local terms energy: -60.932494
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -9.238
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: 9, replica: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -78.635568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.635568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.635568 (E_RNA)
where:
Base-Base interactions energy: -28.322
where: short stacking energy: -25.140
Base-Backbone interact. energy: 0.491
local terms energy: -50.804110
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: 0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -79.972147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.972147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.972147 (E_RNA)
where:
Base-Base interactions energy: -37.004
where: short stacking energy: -29.464
Base-Backbone interact. energy: -0.101
local terms energy: -42.867319
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -2.763
tors. eta vs tors. theta energy: -2.916
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: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -217.643008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.643008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.643008 (E_RNA)
where:
Base-Base interactions energy: -136.075
where: short stacking energy: -68.662
Base-Backbone interact. energy: -0.029
local terms energy: -81.539618
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -21.727
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: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -198.124363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.124363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.124363 (E_RNA)
where:
Base-Base interactions energy: -132.501
where: short stacking energy: -51.102
Base-Backbone interact. energy: -0.141
local terms energy: -65.481590
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -179.440396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.440396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.440396 (E_RNA)
where:
Base-Base interactions energy: -108.447
where: short stacking energy: -64.219
Base-Backbone interact. energy: -0.043
local terms energy: -70.949783
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -183.452324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.452324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.452324 (E_RNA)
where:
Base-Base interactions energy: -119.117
where: short stacking energy: -48.446
Base-Backbone interact. energy: -0.249
local terms energy: -64.085789
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -9.259
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: 5, replica: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -112.295535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.295535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.295535 (E_RNA)
where:
Base-Base interactions energy: -57.173
where: short stacking energy: -39.859
Base-Backbone interact. energy: -0.040
local terms energy: -55.082102
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -2.652
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: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -122.745223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.745223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.745223 (E_RNA)
where:
Base-Base interactions energy: -66.893
where: short stacking energy: -54.869
Base-Backbone interact. energy: 1.294
local terms energy: -57.146712
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -84.152377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.152377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.152377 (E_RNA)
where:
Base-Base interactions energy: -33.310
where: short stacking energy: -27.944
Base-Backbone interact. energy: 0.906
local terms energy: -51.748977
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -7.628
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: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -94.090378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.090378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.090378 (E_RNA)
where:
Base-Base interactions energy: -33.619
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.177
local terms energy: -60.294361
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -77.500338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.500338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.500338 (E_RNA)
where:
Base-Base interactions energy: -27.080
where: short stacking energy: -23.839
Base-Backbone interact. energy: -0.068
local terms energy: -50.352775
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -7.835
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: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -80.153902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.153902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.153902 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -36.344
Base-Backbone interact. energy: -0.145
local terms energy: -41.934827
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -3.128
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: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -220.494027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.494027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.494027 (E_RNA)
where:
Base-Base interactions energy: -141.074
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.294
local terms energy: -79.126473
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -199.923557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.923557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.923557 (E_RNA)
where:
Base-Base interactions energy: -136.013
where: short stacking energy: -56.803
Base-Backbone interact. energy: -0.564
local terms energy: -63.346258
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -4.264
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: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -188.321946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.321946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.321946 (E_RNA)
where:
Base-Base interactions energy: -116.843
where: short stacking energy: -68.419
Base-Backbone interact. energy: -0.027
local terms energy: -71.451712
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -16.793
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: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -178.193963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.193963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.193963 (E_RNA)
where:
Base-Base interactions energy: -113.801
where: short stacking energy: -47.162
Base-Backbone interact. energy: -0.082
local terms energy: -64.311476
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -93.138362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.138362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.138362 (E_RNA)
where:
Base-Base interactions energy: -38.824
where: short stacking energy: -36.398
Base-Backbone interact. energy: -0.093
local terms energy: -54.221513
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -10.259
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: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -97.579779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.579779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.579779 (E_RNA)
where:
Base-Base interactions energy: -37.750
where: short stacking energy: -31.264
Base-Backbone interact. energy: -0.244
local terms energy: -59.585796
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -87.596520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.596520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.596520 (E_RNA)
where:
Base-Base interactions energy: -33.842
where: short stacking energy: -29.919
Base-Backbone interact. energy: -0.074
local terms energy: -53.680102
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -92.294843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.294843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.294843 (E_RNA)
where:
Base-Base interactions energy: -37.101
where: short stacking energy: -37.101
Base-Backbone interact. energy: -0.245
local terms energy: -54.948269
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -95.223068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.223068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.223068 (E_RNA)
where:
Base-Base interactions energy: -46.146
where: short stacking energy: -42.261
Base-Backbone interact. energy: -0.054
local terms energy: -49.023596
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -1.119
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: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -76.878846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.878846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.878846 (E_RNA)
where:
Base-Base interactions energy: -38.845
where: short stacking energy: -26.102
Base-Backbone interact. energy: -0.257
local terms energy: -37.777134
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -9.796
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -215.267118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.267118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.267118 (E_RNA)
where:
Base-Base interactions energy: -147.538
where: short stacking energy: -66.368
Base-Backbone interact. energy: -0.013
local terms energy: -67.715303
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -183.480534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.480534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.480534 (E_RNA)
where:
Base-Base interactions energy: -119.381
where: short stacking energy: -52.097
Base-Backbone interact. energy: -0.096
local terms energy: -64.003194
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -187.428958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.428958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.428958 (E_RNA)
where:
Base-Base interactions energy: -113.255
where: short stacking energy: -51.729
Base-Backbone interact. energy: 0.006
local terms energy: -74.179865
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -183.633987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.633987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.633987 (E_RNA)
where:
Base-Base interactions energy: -128.528
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.198
local terms energy: -54.907569
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -112.049404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.049404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.049404 (E_RNA)
where:
Base-Base interactions energy: -60.577
where: short stacking energy: -52.839
Base-Backbone interact. energy: -0.853
local terms energy: -50.618587
where:
bonds (distance) C4'-P energy: -6.618
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -5.528
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: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -95.435037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.435037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.435037 (E_RNA)
where:
Base-Base interactions energy: -36.495
where: short stacking energy: -25.456
Base-Backbone interact. energy: -0.045
local terms energy: -58.894794
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -92.268236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.268236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.268236 (E_RNA)
where:
Base-Base interactions energy: -47.455
where: short stacking energy: -45.038
Base-Backbone interact. energy: -0.007
local terms energy: -44.806740
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -87.987897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.987897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.987897 (E_RNA)
where:
Base-Base interactions energy: -38.304
where: short stacking energy: -28.318
Base-Backbone interact. energy: -0.124
local terms energy: -49.559763
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -85.065299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.065299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.065299 (E_RNA)
where:
Base-Base interactions energy: -33.824
where: short stacking energy: -32.115
Base-Backbone interact. energy: -0.091
local terms energy: -51.149925
where:
bonds (distance) C4'-P energy: -8.036
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -7.891
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: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -84.752537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.752537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.752537 (E_RNA)
where:
Base-Base interactions energy: -38.788
where: short stacking energy: -25.139
Base-Backbone interact. energy: 0.332
local terms energy: -46.296439
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -210.449915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.449915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.449915 (E_RNA)
where:
Base-Base interactions energy: -132.398
where: short stacking energy: -58.530
Base-Backbone interact. energy: -0.079
local terms energy: -77.972799
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -20.326
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: 155
Temperature: 0.950000
Total energy: -186.013240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.013240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.013240 (E_RNA)
where:
Base-Base interactions energy: -116.829
where: short stacking energy: -49.898
Base-Backbone interact. energy: 1.162
local terms energy: -70.346445
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -185.945248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.945248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.945248 (E_RNA)
where:
Base-Base interactions energy: -122.629
where: short stacking energy: -56.322
Base-Backbone interact. energy: -0.291
local terms energy: -63.024730
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -12.082
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: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -172.728837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.728837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.728837 (E_RNA)
where:
Base-Base interactions energy: -111.104
where: short stacking energy: -57.136
Base-Backbone interact. energy: 0.149
local terms energy: -61.774051
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -9.472
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: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -105.485845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.485845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.485845 (E_RNA)
where:
Base-Base interactions energy: -50.050
where: short stacking energy: -45.482
Base-Backbone interact. energy: -0.255
local terms energy: -55.180746
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -9.750
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -102.527863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.527863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.527863 (E_RNA)
where:
Base-Base interactions energy: -61.625
where: short stacking energy: -39.980
Base-Backbone interact. energy: -0.191
local terms energy: -40.711202
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -4.151
tors. eta vs tors. theta energy: 0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -99.390842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.390842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.390842 (E_RNA)
where:
Base-Base interactions energy: -44.309
where: short stacking energy: -44.222
Base-Backbone interact. energy: -0.102
local terms energy: -54.980303
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -11.362
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: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -100.011430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.011430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.011430 (E_RNA)
where:
Base-Base interactions energy: -35.899
where: short stacking energy: -25.852
Base-Backbone interact. energy: -0.150
local terms energy: -63.962473
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -86.618888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.618888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.618888 (E_RNA)
where:
Base-Base interactions energy: -41.077
where: short stacking energy: -27.626
Base-Backbone interact. energy: -0.017
local terms energy: -45.524969
where:
bonds (distance) C4'-P energy: -7.840
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -88.086906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.086906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.086906 (E_RNA)
where:
Base-Base interactions energy: -29.269
where: short stacking energy: -24.718
Base-Backbone interact. energy: -0.186
local terms energy: -58.632170
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -196.165343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.165343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.165343 (E_RNA)
where:
Base-Base interactions energy: -119.431
where: short stacking energy: -59.397
Base-Backbone interact. energy: -0.012
local terms energy: -76.722266
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -205.371815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.371815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.371815 (E_RNA)
where:
Base-Base interactions energy: -130.144
where: short stacking energy: -68.915
Base-Backbone interact. energy: -1.066
local terms energy: -74.162511
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -18.955
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: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -167.151134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.151134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.151134 (E_RNA)
where:
Base-Base interactions energy: -100.680
where: short stacking energy: -46.499
Base-Backbone interact. energy: -0.073
local terms energy: -66.397721
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.135
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: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -176.044004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.044004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.044004 (E_RNA)
where:
Base-Base interactions energy: -106.171
where: short stacking energy: -56.700
Base-Backbone interact. energy: -0.098
local terms energy: -69.774144
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -97.911173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.911173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.911173 (E_RNA)
where:
Base-Base interactions energy: -51.589
where: short stacking energy: -47.596
Base-Backbone interact. energy: -0.264
local terms energy: -46.058175
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -2.238
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -93.816041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.816041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.816041 (E_RNA)
where:
Base-Base interactions energy: -42.038
where: short stacking energy: -32.260
Base-Backbone interact. energy: -0.068
local terms energy: -51.710334
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -88.691721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.691721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.691721 (E_RNA)
where:
Base-Base interactions energy: -42.568
where: short stacking energy: -39.152
Base-Backbone interact. energy: -0.283
local terms energy: -45.840102
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -83.622735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.622735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.622735 (E_RNA)
where:
Base-Base interactions energy: -34.006
where: short stacking energy: -23.206
Base-Backbone interact. energy: -0.186
local terms energy: -49.430515
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -0.196
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: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -81.659176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.659176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.659176 (E_RNA)
where:
Base-Base interactions energy: -33.995
where: short stacking energy: -25.070
Base-Backbone interact. energy: -0.175
local terms energy: -47.489645
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -81.186318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.186318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.186318 (E_RNA)
where:
Base-Base interactions energy: -30.129
where: short stacking energy: -30.129
Base-Backbone interact. energy: -0.645
local terms energy: -50.413107
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -11.508
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: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -203.393687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.393687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.393687 (E_RNA)
where:
Base-Base interactions energy: -133.380
where: short stacking energy: -69.606
Base-Backbone interact. energy: -0.039
local terms energy: -69.974649
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -13.287
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: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -207.441941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.441941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.441941 (E_RNA)
where:
Base-Base interactions energy: -134.740
where: short stacking energy: -66.704
Base-Backbone interact. energy: -0.117
local terms energy: -72.584569
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -175.649093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.649093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.649093 (E_RNA)
where:
Base-Base interactions energy: -110.759
where: short stacking energy: -56.640
Base-Backbone interact. energy: -0.104
local terms energy: -64.785910
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -190.239555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.239555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.239555 (E_RNA)
where:
Base-Base interactions energy: -129.767
where: short stacking energy: -59.759
Base-Backbone interact. energy: -0.026
local terms energy: -60.446510
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -105.861495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.861495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.861495 (E_RNA)
where:
Base-Base interactions energy: -48.933
where: short stacking energy: -49.733
Base-Backbone interact. energy: -0.104
local terms energy: -56.824407
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -6.017
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: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -98.813093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.813093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.813093 (E_RNA)
where:
Base-Base interactions energy: -53.233
where: short stacking energy: -49.045
Base-Backbone interact. energy: -0.994
local terms energy: -44.586400
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -6.739
flat angles P-C4'-P energy: -7.056
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: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -93.186804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.186804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.186804 (E_RNA)
where:
Base-Base interactions energy: -34.098
where: short stacking energy: -34.098
Base-Backbone interact. energy: -1.194
local terms energy: -57.894184
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -87.265756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.265756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.265756 (E_RNA)
where:
Base-Base interactions energy: -38.526
where: short stacking energy: -29.901
Base-Backbone interact. energy: -0.058
local terms energy: -48.682143
where:
bonds (distance) C4'-P energy: -8.224
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -4.149
tors. eta vs tors. theta energy: -9.458
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: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -76.181782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.181782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.181782 (E_RNA)
where:
Base-Base interactions energy: -17.693
where: short stacking energy: -17.693
Base-Backbone interact. energy: -0.025
local terms energy: -58.463869
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -80.840648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.840648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.840648 (E_RNA)
where:
Base-Base interactions energy: -42.422
where: short stacking energy: -27.531
Base-Backbone interact. energy: 1.678
local terms energy: -40.097111
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -208.226114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.226114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.226114 (E_RNA)
where:
Base-Base interactions energy: -131.888
where: short stacking energy: -67.987
Base-Backbone interact. energy: -0.912
local terms energy: -75.425965
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -203.414983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.414983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.414983 (E_RNA)
where:
Base-Base interactions energy: -124.585
where: short stacking energy: -65.204
Base-Backbone interact. energy: -0.925
local terms energy: -77.905313
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -185.604353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.604353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.604353 (E_RNA)
where:
Base-Base interactions energy: -118.908
where: short stacking energy: -51.109
Base-Backbone interact. energy: -0.054
local terms energy: -66.642432
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -176.063046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.063046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.063046 (E_RNA)
where:
Base-Base interactions energy: -109.833
where: short stacking energy: -55.487
Base-Backbone interact. energy: -0.006
local terms energy: -66.223833
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -107.281480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.281480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.281480 (E_RNA)
where:
Base-Base interactions energy: -43.958
where: short stacking energy: -43.372
Base-Backbone interact. energy: -0.067
local terms energy: -63.256814
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -2.568
tors. eta vs tors. theta energy: -13.020
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: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -102.901377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.901377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.901377 (E_RNA)
where:
Base-Base interactions energy: -42.910
where: short stacking energy: -40.875
Base-Backbone interact. energy: -0.077
local terms energy: -59.914193
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -10.395
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: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -88.275379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.275379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.275379 (E_RNA)
where:
Base-Base interactions energy: -28.836
where: short stacking energy: -26.589
Base-Backbone interact. energy: -0.063
local terms energy: -59.376093
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -88.990619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.990619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.990619 (E_RNA)
where:
Base-Base interactions energy: -43.533
where: short stacking energy: -38.812
Base-Backbone interact. energy: 0.337
local terms energy: -45.795268
where:
bonds (distance) C4'-P energy: -5.731
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -86.058824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.058824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.058824 (E_RNA)
where:
Base-Base interactions energy: -36.632
where: short stacking energy: -36.632
Base-Backbone interact. energy: -0.043
local terms energy: -49.383800
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -75.776097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.776097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.776097 (E_RNA)
where:
Base-Base interactions energy: -24.655
where: short stacking energy: -23.137
Base-Backbone interact. energy: -0.127
local terms energy: -50.993872
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -187.858354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.858354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.858354 (E_RNA)
where:
Base-Base interactions energy: -116.723
where: short stacking energy: -66.779
Base-Backbone interact. energy: 0.009
local terms energy: -71.144146
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -211.698138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.698138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.698138 (E_RNA)
where:
Base-Base interactions energy: -133.219
where: short stacking energy: -53.080
Base-Backbone interact. energy: -0.447
local terms energy: -78.031465
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -19.091
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: 159
Temperature: 1.000000
Total energy: -185.873871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.873871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.873871 (E_RNA)
where:
Base-Base interactions energy: -120.058
where: short stacking energy: -55.530
Base-Backbone interact. energy: 0.336
local terms energy: -66.151501
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -9.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -178.779950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.779950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.779950 (E_RNA)
where:
Base-Base interactions energy: -116.354
where: short stacking energy: -50.327
Base-Backbone interact. energy: 0.560
local terms energy: -62.986245
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -145.156137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.156137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.156137 (E_RNA)
where:
Base-Base interactions energy: -91.173
where: short stacking energy: -47.799
Base-Backbone interact. energy: -0.359
local terms energy: -53.625078
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -9.537
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: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -101.350304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.350304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.350304 (E_RNA)
where:
Base-Base interactions energy: -39.793
where: short stacking energy: -27.465
Base-Backbone interact. energy: -0.175
local terms energy: -61.382116
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -95.467858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.467858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.467858 (E_RNA)
where:
Base-Base interactions energy: -34.447
where: short stacking energy: -34.296
Base-Backbone interact. energy: -0.456
local terms energy: -60.564929
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -8.339
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: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -99.403709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.403709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.403709 (E_RNA)
where:
Base-Base interactions energy: -52.129
where: short stacking energy: -39.572
Base-Backbone interact. energy: -0.290
local terms energy: -46.985102
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -3.178
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: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -91.437867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.437867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.437867 (E_RNA)
where:
Base-Base interactions energy: -46.679
where: short stacking energy: -31.253
Base-Backbone interact. energy: 0.989
local terms energy: -45.747658
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -82.609386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.609386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.609386 (E_RNA)
where:
Base-Base interactions energy: -41.562
where: short stacking energy: -30.874
Base-Backbone interact. energy: 2.766
local terms energy: -43.813450
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: 0.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -219.214633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.214633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.214633 (E_RNA)
where:
Base-Base interactions energy: -137.793
where: short stacking energy: -63.086
Base-Backbone interact. energy: -1.454
local terms energy: -79.967989
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -190.058725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.058725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.058725 (E_RNA)
where:
Base-Base interactions energy: -121.986
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.366
local terms energy: -67.706751
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -10.245
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -193.957943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.957943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.957943 (E_RNA)
where:
Base-Base interactions energy: -125.877
where: short stacking energy: -55.294
Base-Backbone interact. energy: -0.031
local terms energy: -68.049822
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -164.546324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.546324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.546324 (E_RNA)
where:
Base-Base interactions energy: -104.292
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.124
local terms energy: -60.130966
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -146.134537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.134537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.134537 (E_RNA)
where:
Base-Base interactions energy: -90.953
where: short stacking energy: -44.708
Base-Backbone interact. energy: 0.039
local terms energy: -55.221218
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -8.193
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: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -126.184542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.184542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.184542 (E_RNA)
where:
Base-Base interactions energy: -64.323
where: short stacking energy: -34.034
Base-Backbone interact. energy: -0.176
local terms energy: -61.686122
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -7.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -87.067740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.067740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.067740 (E_RNA)
where:
Base-Base interactions energy: -32.550
where: short stacking energy: -21.883
Base-Backbone interact. energy: -0.106
local terms energy: -54.412189
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -8.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -89.923567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.923567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.923567 (E_RNA)
where:
Base-Base interactions energy: -42.865
where: short stacking energy: -42.865
Base-Backbone interact. energy: 0.191
local terms energy: -47.249395
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -5.787
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -81.061596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.061596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.061596 (E_RNA)
where:
Base-Base interactions energy: -36.299
where: short stacking energy: -28.125
Base-Backbone interact. energy: 0.475
local terms energy: -45.237307
where:
bonds (distance) C4'-P energy: -6.095
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -3.051
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -72.382675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.382675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.382675 (E_RNA)
where:
Base-Base interactions energy: -26.125
where: short stacking energy: -25.749
Base-Backbone interact. energy: -0.039
local terms energy: -46.219336
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -10.040
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: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -225.981769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.981769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.981769 (E_RNA)
where:
Base-Base interactions energy: -150.351
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.428
local terms energy: -75.203573
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -203.769725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.769725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.769725 (E_RNA)
where:
Base-Base interactions energy: -137.480
where: short stacking energy: -59.657
Base-Backbone interact. energy: -0.119
local terms energy: -66.170932
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -7.585
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: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -194.768946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.768946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.768946 (E_RNA)
where:
Base-Base interactions energy: -134.257
where: short stacking energy: -67.399
Base-Backbone interact. energy: 0.082
local terms energy: -60.593494
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -7.348
flat angles P-C4'-P energy: -10.701
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: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -193.930814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.930814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.930814 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -62.251
Base-Backbone interact. energy: -0.343
local terms energy: -66.398701
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -165.311560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.311560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.311560 (E_RNA)
where:
Base-Base interactions energy: -104.526
where: short stacking energy: -46.587
Base-Backbone interact. energy: 0.037
local terms energy: -60.822544
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -7.075
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: 6, replica: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -116.406960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.406960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.406960 (E_RNA)
where:
Base-Base interactions energy: -67.936
where: short stacking energy: -37.141
Base-Backbone interact. energy: -0.373
local terms energy: -48.097605
where:
bonds (distance) C4'-P energy: -7.561
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -7.919
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: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -103.207105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.207105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.207105 (E_RNA)
where:
Base-Base interactions energy: -48.144
where: short stacking energy: -29.457
Base-Backbone interact. energy: 0.604
local terms energy: -55.666813
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -6.947
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: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -78.219474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.219474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.219474 (E_RNA)
where:
Base-Base interactions energy: -37.205
where: short stacking energy: -31.434
Base-Backbone interact. energy: 4.018
local terms energy: -45.032757
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -83.491575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.491575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.491575 (E_RNA)
where:
Base-Base interactions energy: -37.109
where: short stacking energy: -34.557
Base-Backbone interact. energy: -0.102
local terms energy: -46.280918
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -81.216880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.216880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.216880 (E_RNA)
where:
Base-Base interactions energy: -31.160
where: short stacking energy: -28.685
Base-Backbone interact. energy: -0.333
local terms energy: -49.723744
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -8.339
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: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -210.994350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.994350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.994350 (E_RNA)
where:
Base-Base interactions energy: -144.585
where: short stacking energy: -64.934
Base-Backbone interact. energy: 0.179
local terms energy: -66.588431
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -220.327963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.327963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.327963 (E_RNA)
where:
Base-Base interactions energy: -138.489
where: short stacking energy: -58.716
Base-Backbone interact. energy: -0.400
local terms energy: -81.438523
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -19.572
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: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -186.573005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.573005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.573005 (E_RNA)
where:
Base-Base interactions energy: -118.010
where: short stacking energy: -63.044
Base-Backbone interact. energy: -0.062
local terms energy: -68.500158
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -8.748
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: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -185.172074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.172074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.172074 (E_RNA)
where:
Base-Base interactions energy: -113.955
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.161
local terms energy: -71.056553
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -14.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -172.734061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.734061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.734061 (E_RNA)
where:
Base-Base interactions energy: -106.618
where: short stacking energy: -52.557
Base-Backbone interact. energy: -0.153
local terms energy: -65.962881
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -10.768
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: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -121.507023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.507023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.507023 (E_RNA)
where:
Base-Base interactions energy: -68.360
where: short stacking energy: -41.915
Base-Backbone interact. energy: -0.102
local terms energy: -53.045314
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -4.670
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: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -96.410344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.410344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.410344 (E_RNA)
where:
Base-Base interactions energy: -38.133
where: short stacking energy: -35.784
Base-Backbone interact. energy: 0.118
local terms energy: -58.395790
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -9.554
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: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -87.612177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.612177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.612177 (E_RNA)
where:
Base-Base interactions energy: -31.346
where: short stacking energy: -31.346
Base-Backbone interact. energy: -0.062
local terms energy: -56.203834
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -90.759091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.759091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.759091 (E_RNA)
where:
Base-Base interactions energy: -37.824
where: short stacking energy: -25.716
Base-Backbone interact. energy: -0.412
local terms energy: -52.522830
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -78.177911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.177911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.177911 (E_RNA)
where:
Base-Base interactions energy: -33.058
where: short stacking energy: -31.763
Base-Backbone interact. energy: -0.245
local terms energy: -44.874755
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -1.331
tors. eta vs tors. theta energy: -5.698
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: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -207.241340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.241340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.241340 (E_RNA)
where:
Base-Base interactions energy: -135.522
where: short stacking energy: -67.831
Base-Backbone interact. energy: 1.612
local terms energy: -73.331751
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -10.967
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: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -212.821369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.821369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.821369 (E_RNA)
where:
Base-Base interactions energy: -132.753
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.867
local terms energy: -79.202024
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -19.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -204.521439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.521439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.521439 (E_RNA)
where:
Base-Base interactions energy: -143.981
where: short stacking energy: -54.483
Base-Backbone interact. energy: -0.143
local terms energy: -60.398104
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -11.488
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: 4, replica: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -170.733722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.733722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.733722 (E_RNA)
where:
Base-Base interactions energy: -105.925
where: short stacking energy: -56.392
Base-Backbone interact. energy: -0.071
local terms energy: -64.737519
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -12.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -172.036748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.036748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.036748 (E_RNA)
where:
Base-Base interactions energy: -111.827
where: short stacking energy: -58.850
Base-Backbone interact. energy: -0.188
local terms energy: -60.022611
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -15.291
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: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -105.198746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.198746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.198746 (E_RNA)
where:
Base-Base interactions energy: -41.251
where: short stacking energy: -36.807
Base-Backbone interact. energy: -0.119
local terms energy: -63.828340
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -109.757353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.757353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.757353 (E_RNA)
where:
Base-Base interactions energy: -62.365
where: short stacking energy: -36.778
Base-Backbone interact. energy: -0.236
local terms energy: -47.156312
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -97.182718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.182718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.182718 (E_RNA)
where:
Base-Base interactions energy: -42.241
where: short stacking energy: -29.835
Base-Backbone interact. energy: -0.058
local terms energy: -54.884217
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -8.968
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: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -88.842672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.842672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.842672 (E_RNA)
where:
Base-Base interactions energy: -29.596
where: short stacking energy: -29.039
Base-Backbone interact. energy: -0.770
local terms energy: -58.476253
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -11.550
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: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -84.499699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.499699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.499699 (E_RNA)
where:
Base-Base interactions energy: -33.237
where: short stacking energy: -24.857
Base-Backbone interact. energy: -0.118
local terms energy: -51.144431
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: 0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -215.346567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.346567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.346567 (E_RNA)
where:
Base-Base interactions energy: -133.152
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.695
local terms energy: -81.499154
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -196.825498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.825498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.825498 (E_RNA)
where:
Base-Base interactions energy: -129.040
where: short stacking energy: -53.062
Base-Backbone interact. energy: -0.091
local terms energy: -67.693641
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -189.640528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.640528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.640528 (E_RNA)
where:
Base-Base interactions energy: -128.738
where: short stacking energy: -46.537
Base-Backbone interact. energy: -0.086
local terms energy: -60.816916
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -169.293888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.293888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.293888 (E_RNA)
where:
Base-Base interactions energy: -103.222
where: short stacking energy: -54.705
Base-Backbone interact. energy: -1.100
local terms energy: -64.972336
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -8.778
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: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -176.133031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.133031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.133031 (E_RNA)
where:
Base-Base interactions energy: -120.192
where: short stacking energy: -48.780
Base-Backbone interact. energy: -0.061
local terms energy: -55.879484
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -11.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -104.492358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.492358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.492358 (E_RNA)
where:
Base-Base interactions energy: -49.179
where: short stacking energy: -38.673
Base-Backbone interact. energy: 0.021
local terms energy: -55.334752
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -101.759317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.759317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.759317 (E_RNA)
where:
Base-Base interactions energy: -43.253
where: short stacking energy: -42.860
Base-Backbone interact. energy: -0.198
local terms energy: -58.308274
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -11.946
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: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -132.587264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.587264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.587264 (E_RNA)
where:
Base-Base interactions energy: -74.591
where: short stacking energy: -48.831
Base-Backbone interact. energy: -0.639
local terms energy: -57.356780
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -9.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -92.465957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.465957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.465957 (E_RNA)
where:
Base-Base interactions energy: -37.487
where: short stacking energy: -34.401
Base-Backbone interact. energy: -0.235
local terms energy: -54.743898
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -78.064336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.064336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.064336 (E_RNA)
where:
Base-Base interactions energy: -31.711
where: short stacking energy: -29.263
Base-Backbone interact. energy: -0.312
local terms energy: -46.041133
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -5.359
flat angles P-C4'-P energy: -11.395
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: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -210.487084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.487084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.487084 (E_RNA)
where:
Base-Base interactions energy: -129.554
where: short stacking energy: -58.297
Base-Backbone interact. energy: -0.259
local terms energy: -80.673897
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -199.552863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.552863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.552863 (E_RNA)
where:
Base-Base interactions energy: -128.600
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.045
local terms energy: -70.907974
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -194.942092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.942092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.942092 (E_RNA)
where:
Base-Base interactions energy: -127.046
where: short stacking energy: -64.279
Base-Backbone interact. energy: -1.875
local terms energy: -66.020286
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -179.041727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.041727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.041727 (E_RNA)
where:
Base-Base interactions energy: -119.713
where: short stacking energy: -49.737
Base-Backbone interact. energy: -0.204
local terms energy: -59.125092
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -141.629012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.629012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.629012 (E_RNA)
where:
Base-Base interactions energy: -78.163
where: short stacking energy: -54.252
Base-Backbone interact. energy: -0.025
local terms energy: -63.441576
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -92.935342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.935342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.935342 (E_RNA)
where:
Base-Base interactions energy: -42.427
where: short stacking energy: -41.863
Base-Backbone interact. energy: -0.316
local terms energy: -50.192501
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -6.999
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: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -104.142353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.142353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.142353 (E_RNA)
where:
Base-Base interactions energy: -48.940
where: short stacking energy: -47.258
Base-Backbone interact. energy: -0.087
local terms energy: -55.114835
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -8.808
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: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -102.357898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.357898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.357898 (E_RNA)
where:
Base-Base interactions energy: -59.080
where: short stacking energy: -41.746
Base-Backbone interact. energy: 1.399
local terms energy: -44.677298
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -2.254
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -125.034654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.034654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.034654 (E_RNA)
where:
Base-Base interactions energy: -69.559
where: short stacking energy: -39.150
Base-Backbone interact. energy: -0.768
local terms energy: -54.707997
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -71.675277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.675277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.675277 (E_RNA)
where:
Base-Base interactions energy: -25.297
where: short stacking energy: -25.138
Base-Backbone interact. energy: 0.177
local terms energy: -46.555242
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: 0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -217.384479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.384479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.384479 (E_RNA)
where:
Base-Base interactions energy: -147.023
where: short stacking energy: -64.873
Base-Backbone interact. energy: -0.156
local terms energy: -70.205735
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -213.513926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.513926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.513926 (E_RNA)
where:
Base-Base interactions energy: -133.620
where: short stacking energy: -65.021
Base-Backbone interact. energy: -0.005
local terms energy: -79.888431
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -179.244249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.244249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.244249 (E_RNA)
where:
Base-Base interactions energy: -117.292
where: short stacking energy: -46.720
Base-Backbone interact. energy: 0.665
local terms energy: -62.617878
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -9.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -192.780395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.780395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.780395 (E_RNA)
where:
Base-Base interactions energy: -118.445
where: short stacking energy: -57.008
Base-Backbone interact. energy: -0.094
local terms energy: -74.241487
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -143.062185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.062185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.062185 (E_RNA)
where:
Base-Base interactions energy: -92.548
where: short stacking energy: -47.895
Base-Backbone interact. energy: -0.640
local terms energy: -49.873757
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -2.398
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -99.921807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.921807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.921807 (E_RNA)
where:
Base-Base interactions energy: -43.591
where: short stacking energy: -43.419
Base-Backbone interact. energy: -0.068
local terms energy: -56.262686
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -6.573
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: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -90.142247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.142247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.142247 (E_RNA)
where:
Base-Base interactions energy: -32.338
where: short stacking energy: -22.896
Base-Backbone interact. energy: -0.108
local terms energy: -57.696751
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -92.835580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.835580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.835580 (E_RNA)
where:
Base-Base interactions energy: -37.485
where: short stacking energy: -27.898
Base-Backbone interact. energy: -0.117
local terms energy: -55.233277
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -96.273639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.273639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.273639 (E_RNA)
where:
Base-Base interactions energy: -45.464
where: short stacking energy: -45.464
Base-Backbone interact. energy: -0.041
local terms energy: -50.768603
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -84.609281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.609281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.609281 (E_RNA)
where:
Base-Base interactions energy: -35.714
where: short stacking energy: -35.293
Base-Backbone interact. energy: -0.155
local terms energy: -48.739976
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -211.028637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.028637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.028637 (E_RNA)
where:
Base-Base interactions energy: -142.270
where: short stacking energy: -61.948
Base-Backbone interact. energy: -0.432
local terms energy: -68.326486
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -215.424081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.424081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.424081 (E_RNA)
where:
Base-Base interactions energy: -136.409
where: short stacking energy: -65.188
Base-Backbone interact. energy: -0.057
local terms energy: -78.958385
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -198.751187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.751187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.751187 (E_RNA)
where:
Base-Base interactions energy: -130.932
where: short stacking energy: -57.844
Base-Backbone interact. energy: -0.458
local terms energy: -67.361888
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -177.476757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.476757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.476757 (E_RNA)
where:
Base-Base interactions energy: -112.813
where: short stacking energy: -55.181
Base-Backbone interact. energy: -0.004
local terms energy: -64.659788
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -10.571
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: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -161.170373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.170373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.170373 (E_RNA)
where:
Base-Base interactions energy: -94.038
where: short stacking energy: -46.713
Base-Backbone interact. energy: -0.091
local terms energy: -67.041816
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -8.378
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: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -102.566861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.566861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.566861 (E_RNA)
where:
Base-Base interactions energy: -49.550
where: short stacking energy: -34.750
Base-Backbone interact. energy: 0.912
local terms energy: -53.928749
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -5.913
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: 167
Temperature: 1.200000
Total energy: -84.454232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.454232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.454232 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -31.630
Base-Backbone interact. energy: -0.182
local terms energy: -50.205110
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -89.553963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.553963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.553963 (E_RNA)
where:
Base-Base interactions energy: -43.332
where: short stacking energy: -32.809
Base-Backbone interact. energy: 0.870
local terms energy: -47.091518
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -7.022
flat angles P-C4'-P energy: -10.134
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: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -87.508260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.508260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.508260 (E_RNA)
where:
Base-Base interactions energy: -24.726
where: short stacking energy: -18.942
Base-Backbone interact. energy: -0.097
local terms energy: -62.685511
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -79.603707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.603707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.603707 (E_RNA)
where:
Base-Base interactions energy: -37.716
where: short stacking energy: -32.536
Base-Backbone interact. energy: -0.172
local terms energy: -41.715822
where:
bonds (distance) C4'-P energy: -7.628
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -3.974
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: 1, replica: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -211.481827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.481827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.481827 (E_RNA)
where:
Base-Base interactions energy: -143.887
where: short stacking energy: -62.695
Base-Backbone interact. energy: -0.087
local terms energy: -67.508744
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -208.141373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.141373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.141373 (E_RNA)
where:
Base-Base interactions energy: -134.941
where: short stacking energy: -59.308
Base-Backbone interact. energy: -0.585
local terms energy: -72.615138
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -199.081531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.081531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.081531 (E_RNA)
where:
Base-Base interactions energy: -130.525
where: short stacking energy: -60.605
Base-Backbone interact. energy: -0.015
local terms energy: -68.540652
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -179.803389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.803389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.803389 (E_RNA)
where:
Base-Base interactions energy: -114.132
where: short stacking energy: -61.469
Base-Backbone interact. energy: -0.003
local terms energy: -65.668607
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -14.937
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: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -149.219029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.219029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.219029 (E_RNA)
where:
Base-Base interactions energy: -92.735
where: short stacking energy: -41.474
Base-Backbone interact. energy: -0.313
local terms energy: -56.170435
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -104.982324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.982324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.982324 (E_RNA)
where:
Base-Base interactions energy: -42.298
where: short stacking energy: -42.298
Base-Backbone interact. energy: -0.026
local terms energy: -62.658192
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -92.275636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.275636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.275636 (E_RNA)
where:
Base-Base interactions energy: -32.759
where: short stacking energy: -30.583
Base-Backbone interact. energy: -0.038
local terms energy: -59.478391
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -84.703599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.703599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.703599 (E_RNA)
where:
Base-Base interactions energy: -35.565
where: short stacking energy: -33.013
Base-Backbone interact. energy: -0.003
local terms energy: -49.134985
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -9.565
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -10.395
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: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -90.652182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.652182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.652182 (E_RNA)
where:
Base-Base interactions energy: -45.061
where: short stacking energy: -25.869
Base-Backbone interact. energy: 2.614
local terms energy: -48.204879
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -7.636
flat angles P-C4'-P energy: -10.917
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: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -72.565704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.565704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.565704 (E_RNA)
where:
Base-Base interactions energy: -24.353
where: short stacking energy: -22.034
Base-Backbone interact. energy: -0.272
local terms energy: -47.940470
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -204.214764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.214764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.214764 (E_RNA)
where:
Base-Base interactions energy: -130.191
where: short stacking energy: -54.389
Base-Backbone interact. energy: -1.065
local terms energy: -72.958825
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -208.372629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.372629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.372629 (E_RNA)
where:
Base-Base interactions energy: -131.095
where: short stacking energy: -67.861
Base-Backbone interact. energy: -0.441
local terms energy: -76.837559
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -20.860
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: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -202.398481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.398481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.398481 (E_RNA)
where:
Base-Base interactions energy: -140.080
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.024
local terms energy: -62.293582
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -150.625011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.625011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.625011 (E_RNA)
where:
Base-Base interactions energy: -96.702
where: short stacking energy: -52.100
Base-Backbone interact. energy: -0.228
local terms energy: -53.695280
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -7.203
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: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -149.125598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.125598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.125598 (E_RNA)
where:
Base-Base interactions energy: -89.369
where: short stacking energy: -45.167
Base-Backbone interact. energy: -0.205
local terms energy: -59.551532
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -10.770
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: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -102.666062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.666062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.666062 (E_RNA)
where:
Base-Base interactions energy: -43.471
where: short stacking energy: -36.912
Base-Backbone interact. energy: -0.193
local terms energy: -59.002380
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -11.605
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: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -97.427491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.427491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.427491 (E_RNA)
where:
Base-Base interactions energy: -42.667
where: short stacking energy: -42.667
Base-Backbone interact. energy: -0.637
local terms energy: -54.122959
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -5.695
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: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -112.434670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.434670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.434670 (E_RNA)
where:
Base-Base interactions energy: -54.701
where: short stacking energy: -32.707
Base-Backbone interact. energy: -0.194
local terms energy: -57.539274
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -85.158839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.158839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.158839 (E_RNA)
where:
Base-Base interactions energy: -32.064
where: short stacking energy: -31.659
Base-Backbone interact. energy: -0.094
local terms energy: -53.000847
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -77.236121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.236121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.236121 (E_RNA)
where:
Base-Base interactions energy: -34.348
where: short stacking energy: -22.243
Base-Backbone interact. energy: -0.578
local terms energy: -42.310119
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: 0.703
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: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -216.633851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.633851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.633851 (E_RNA)
where:
Base-Base interactions energy: -138.958
where: short stacking energy: -64.325
Base-Backbone interact. energy: 0.971
local terms energy: -78.647417
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -22.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -206.672769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.672769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.672769 (E_RNA)
where:
Base-Base interactions energy: -138.229
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.152
local terms energy: -68.291613
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -199.894182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.894182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.894182 (E_RNA)
where:
Base-Base interactions energy: -136.942
where: short stacking energy: -60.151
Base-Backbone interact. energy: -0.014
local terms energy: -62.938050
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -13.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -161.820964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.820964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.820964 (E_RNA)
where:
Base-Base interactions energy: -103.630
where: short stacking energy: -50.942
Base-Backbone interact. energy: -0.683
local terms energy: -57.507264
where:
bonds (distance) C4'-P energy: -6.030
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -10.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -113.916340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.916340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.916340 (E_RNA)
where:
Base-Base interactions energy: -47.962
where: short stacking energy: -47.962
Base-Backbone interact. energy: -0.007
local terms energy: -65.947557
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -137.221716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.221716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.221716 (E_RNA)
where:
Base-Base interactions energy: -82.800
where: short stacking energy: -48.220
Base-Backbone interact. energy: -0.243
local terms energy: -54.179285
where:
bonds (distance) C4'-P energy: -8.734
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -7.126
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: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -101.079025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.079025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.079025 (E_RNA)
where:
Base-Base interactions energy: -45.336
where: short stacking energy: -24.803
Base-Backbone interact. energy: -0.141
local terms energy: -55.602824
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -4.623
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: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -102.095090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.095090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.095090 (E_RNA)
where:
Base-Base interactions energy: -53.399
where: short stacking energy: -36.854
Base-Backbone interact. energy: -0.109
local terms energy: -48.587559
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -9.746
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: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -94.269650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.269650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.269650 (E_RNA)
where:
Base-Base interactions energy: -35.624
where: short stacking energy: -34.174
Base-Backbone interact. energy: 1.860
local terms energy: -60.506057
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -79.164148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.164148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.164148 (E_RNA)
where:
Base-Base interactions energy: -26.630
where: short stacking energy: -23.338
Base-Backbone interact. energy: -0.101
local terms energy: -52.432797
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -219.113856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.113856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.113856 (E_RNA)
where:
Base-Base interactions energy: -137.054
where: short stacking energy: -68.128
Base-Backbone interact. energy: -0.336
local terms energy: -81.724398
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -198.512270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.512270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.512270 (E_RNA)
where:
Base-Base interactions energy: -123.334
where: short stacking energy: -61.016
Base-Backbone interact. energy: -0.107
local terms energy: -75.071626
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -175.227228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.227228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.227228 (E_RNA)
where:
Base-Base interactions energy: -109.838
where: short stacking energy: -53.243
Base-Backbone interact. energy: -0.416
local terms energy: -64.972564
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -11.238
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: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -180.975218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.975218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.975218 (E_RNA)
where:
Base-Base interactions energy: -113.384
where: short stacking energy: -50.075
Base-Backbone interact. energy: -0.863
local terms energy: -66.727841
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -11.992
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: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -113.163572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.163572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.163572 (E_RNA)
where:
Base-Base interactions energy: -62.829
where: short stacking energy: -50.097
Base-Backbone interact. energy: -0.058
local terms energy: -50.276700
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -9.264
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -136.499865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.499865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.499865 (E_RNA)
where:
Base-Base interactions energy: -75.059
where: short stacking energy: -39.976
Base-Backbone interact. energy: -0.048
local terms energy: -61.392824
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -9.534
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -119.396864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.396864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.396864 (E_RNA)
where:
Base-Base interactions energy: -59.584
where: short stacking energy: -31.670
Base-Backbone interact. energy: -0.247
local terms energy: -59.565454
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -84.379332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.379332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.379332 (E_RNA)
where:
Base-Base interactions energy: -33.400
where: short stacking energy: -33.400
Base-Backbone interact. energy: -0.113
local terms energy: -50.865414
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -102.769202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.769202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.769202 (E_RNA)
where:
Base-Base interactions energy: -56.647
where: short stacking energy: -28.689
Base-Backbone interact. energy: -0.396
local terms energy: -45.725981
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -71.184593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.184593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.184593 (E_RNA)
where:
Base-Base interactions energy: -27.530
where: short stacking energy: -27.530
Base-Backbone interact. energy: -0.191
local terms energy: -43.463758
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -9.650
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: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -216.075047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.075047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.075047 (E_RNA)
where:
Base-Base interactions energy: -139.770
where: short stacking energy: -76.909
Base-Backbone interact. energy: -0.004
local terms energy: -76.301489
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -21.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -194.098353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.098353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.098353 (E_RNA)
where:
Base-Base interactions energy: -126.694
where: short stacking energy: -59.687
Base-Backbone interact. energy: -0.009
local terms energy: -67.395948
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -179.310070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.310070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.310070 (E_RNA)
where:
Base-Base interactions energy: -118.459
where: short stacking energy: -53.190
Base-Backbone interact. energy: -0.145
local terms energy: -60.706424
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -188.963007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.963007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.963007 (E_RNA)
where:
Base-Base interactions energy: -120.947
where: short stacking energy: -61.563
Base-Backbone interact. energy: -0.026
local terms energy: -67.989402
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -138.759174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.759174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.759174 (E_RNA)
where:
Base-Base interactions energy: -84.981
where: short stacking energy: -44.749
Base-Backbone interact. energy: -0.141
local terms energy: -53.636632
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -94.122776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.122776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.122776 (E_RNA)
where:
Base-Base interactions energy: -35.661
where: short stacking energy: -35.661
Base-Backbone interact. energy: -0.210
local terms energy: -58.252168
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -107.663359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.663359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.663359 (E_RNA)
where:
Base-Base interactions energy: -60.201
where: short stacking energy: -44.904
Base-Backbone interact. energy: -0.665
local terms energy: -46.797723
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -94.616227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.616227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.616227 (E_RNA)
where:
Base-Base interactions energy: -33.287
where: short stacking energy: -33.164
Base-Backbone interact. energy: -0.148
local terms energy: -61.181279
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -96.335997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.335997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.335997 (E_RNA)
where:
Base-Base interactions energy: -45.229
where: short stacking energy: -37.097
Base-Backbone interact. energy: -0.258
local terms energy: -50.848659
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -4.802
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: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -78.197258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.197258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.197258 (E_RNA)
where:
Base-Base interactions energy: -30.275
where: short stacking energy: -25.100
Base-Backbone interact. energy: -0.154
local terms energy: -47.769034
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -2.153
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -216.596830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.596830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.596830 (E_RNA)
where:
Base-Base interactions energy: -134.130
where: short stacking energy: -68.848
Base-Backbone interact. energy: -0.001
local terms energy: -82.465728
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -21.296
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: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -202.286394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.286394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.286394 (E_RNA)
where:
Base-Base interactions energy: -137.319
where: short stacking energy: -70.054
Base-Backbone interact. energy: 1.229
local terms energy: -66.196752
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -17.066
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: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -191.936374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.936374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.936374 (E_RNA)
where:
Base-Base interactions energy: -125.458
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.246
local terms energy: -66.231792
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.416
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: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -190.042411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.042411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.042411 (E_RNA)
where:
Base-Base interactions energy: -120.143
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.004
local terms energy: -69.894902
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -10.932
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: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -163.726752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.726752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.726752 (E_RNA)
where:
Base-Base interactions energy: -97.485
where: short stacking energy: -49.101
Base-Backbone interact. energy: -0.003
local terms energy: -66.238436
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -16.967
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: 173
Temperature: 1.150000
Total energy: -101.558414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.558414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.558414 (E_RNA)
where:
Base-Base interactions energy: -46.774
where: short stacking energy: -42.276
Base-Backbone interact. energy: -0.026
local terms energy: -54.759228
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -8.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -95.080434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.080434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.080434 (E_RNA)
where:
Base-Base interactions energy: -47.203
where: short stacking energy: -22.429
Base-Backbone interact. energy: -0.430
local terms energy: -47.446752
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -3.114
flat angles P-C4'-P energy: -11.572
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: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -90.087261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.087261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.087261 (E_RNA)
where:
Base-Base interactions energy: -33.783
where: short stacking energy: -29.457
Base-Backbone interact. energy: -0.006
local terms energy: -56.297985
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -75.386325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.386325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.386325 (E_RNA)
where:
Base-Base interactions energy: -29.344
where: short stacking energy: -29.344
Base-Backbone interact. energy: -0.053
local terms energy: -45.988876
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -7.394
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -4.941
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: 173
Temperature: 1.350000
Total energy: -72.300197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.300197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.300197 (E_RNA)
where:
Base-Base interactions energy: -28.189
where: short stacking energy: -27.681
Base-Backbone interact. energy: -0.450
local terms energy: -43.661007
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -7.521
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: 0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -218.401583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.401583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.401583 (E_RNA)
where:
Base-Base interactions energy: -139.393
where: short stacking energy: -71.125
Base-Backbone interact. energy: -0.002
local terms energy: -79.006290
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -10.959
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: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -211.399466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.399466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.399466 (E_RNA)
where:
Base-Base interactions energy: -132.331
where: short stacking energy: -60.298
Base-Backbone interact. energy: 0.209
local terms energy: -79.277614
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -21.713
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: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -183.738827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.738827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.738827 (E_RNA)
where:
Base-Base interactions energy: -113.704
where: short stacking energy: -64.049
Base-Backbone interact. energy: -0.025
local terms energy: -70.010150
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -15.275
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: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -161.728335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.728335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.728335 (E_RNA)
where:
Base-Base interactions energy: -97.340
where: short stacking energy: -56.113
Base-Backbone interact. energy: -0.004
local terms energy: -64.384365
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -11.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -168.018005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.018005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.018005 (E_RNA)
where:
Base-Base interactions energy: -106.816
where: short stacking energy: -54.068
Base-Backbone interact. energy: -0.074
local terms energy: -61.128444
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -17.541
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: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -95.390178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.390178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.390178 (E_RNA)
where:
Base-Base interactions energy: -39.512
where: short stacking energy: -29.617
Base-Backbone interact. energy: -0.347
local terms energy: -55.530754
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -105.626971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.626971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.626971 (E_RNA)
where:
Base-Base interactions energy: -48.631
where: short stacking energy: -22.384
Base-Backbone interact. energy: -1.586
local terms energy: -55.409696
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -6.890
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: 8, replica: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -99.086155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.086155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.086155 (E_RNA)
where:
Base-Base interactions energy: -52.989
where: short stacking energy: -29.315
Base-Backbone interact. energy: -0.624
local terms energy: -45.473649
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: 0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -75.355168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.355168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.355168 (E_RNA)
where:
Base-Base interactions energy: -24.508
where: short stacking energy: -15.216
Base-Backbone interact. energy: 0.286
local terms energy: -51.132500
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -7.483
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: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -83.548906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.548906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.548906 (E_RNA)
where:
Base-Base interactions energy: -29.927
where: short stacking energy: -29.927
Base-Backbone interact. energy: -0.030
local terms energy: -53.592155
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -213.097958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.097958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.097958 (E_RNA)
where:
Base-Base interactions energy: -139.993
where: short stacking energy: -74.451
Base-Backbone interact. energy: -0.783
local terms energy: -72.321067
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -20.813
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: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -215.679569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.679569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.679569 (E_RNA)
where:
Base-Base interactions energy: -141.535
where: short stacking energy: -61.457
Base-Backbone interact. energy: -1.204
local terms energy: -72.940647
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -185.434181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.434181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.434181 (E_RNA)
where:
Base-Base interactions energy: -112.453
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.042
local terms energy: -72.939509
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -157.724649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.724649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.724649 (E_RNA)
where:
Base-Base interactions energy: -93.006
where: short stacking energy: -48.620
Base-Backbone interact. energy: -0.185
local terms energy: -64.533713
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -152.621947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.621947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.621947 (E_RNA)
where:
Base-Base interactions energy: -85.590
where: short stacking energy: -43.424
Base-Backbone interact. energy: -0.521
local terms energy: -66.510941
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -11.700
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: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -99.375365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.375365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.375365 (E_RNA)
where:
Base-Base interactions energy: -44.362
where: short stacking energy: -40.484
Base-Backbone interact. energy: 0.499
local terms energy: -55.511920
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -3.232
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: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -103.322366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.322366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.322366 (E_RNA)
where:
Base-Base interactions energy: -47.489
where: short stacking energy: -36.370
Base-Backbone interact. energy: -0.221
local terms energy: -55.612181
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -7.591
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: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -86.254306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.254306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.254306 (E_RNA)
where:
Base-Base interactions energy: -29.816
where: short stacking energy: -28.550
Base-Backbone interact. energy: -0.153
local terms energy: -56.285666
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -8.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -81.174178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.174178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.174178 (E_RNA)
where:
Base-Base interactions energy: -32.612
where: short stacking energy: -30.033
Base-Backbone interact. energy: -0.110
local terms energy: -48.451991
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -90.124265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.124265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.124265 (E_RNA)
where:
Base-Base interactions energy: -40.706
where: short stacking energy: -34.156
Base-Backbone interact. energy: -1.130
local terms energy: -48.287658
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -211.615894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.615894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.615894 (E_RNA)
where:
Base-Base interactions energy: -136.766
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.023
local terms energy: -74.826827
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -204.366420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.366420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.366420 (E_RNA)
where:
Base-Base interactions energy: -131.717
where: short stacking energy: -65.003
Base-Backbone interact. energy: -1.018
local terms energy: -71.630929
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -5.831
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: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -177.231320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.231320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.231320 (E_RNA)
where:
Base-Base interactions energy: -106.133
where: short stacking energy: -56.408
Base-Backbone interact. energy: -1.141
local terms energy: -69.957125
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -166.670914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.670914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.670914 (E_RNA)
where:
Base-Base interactions energy: -96.208
where: short stacking energy: -49.420
Base-Backbone interact. energy: -0.910
local terms energy: -69.553198
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -12.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -153.421160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.421160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.421160 (E_RNA)
where:
Base-Base interactions energy: -92.186
where: short stacking energy: -48.703
Base-Backbone interact. energy: -0.114
local terms energy: -61.121219
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -123.091976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.091976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.091976 (E_RNA)
where:
Base-Base interactions energy: -61.459
where: short stacking energy: -41.667
Base-Backbone interact. energy: -0.485
local terms energy: -61.147981
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -93.377752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.377752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.377752 (E_RNA)
where:
Base-Base interactions energy: -39.263
where: short stacking energy: -29.539
Base-Backbone interact. energy: 1.972
local terms energy: -56.086410
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -90.584199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.584199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.584199 (E_RNA)
where:
Base-Base interactions energy: -39.431
where: short stacking energy: -39.431
Base-Backbone interact. energy: -0.051
local terms energy: -51.102613
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -7.763
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -71.467175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.467175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.467175 (E_RNA)
where:
Base-Base interactions energy: -25.198
where: short stacking energy: -25.198
Base-Backbone interact. energy: -0.158
local terms energy: -46.110526
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -71.779884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.779884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.779884 (E_RNA)
where:
Base-Base interactions energy: -26.514
where: short stacking energy: -26.233
Base-Backbone interact. energy: -0.686
local terms energy: -44.580225
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -8.472
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -212.568362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.568362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.568362 (E_RNA)
where:
Base-Base interactions energy: -132.190
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.465
local terms energy: -79.913516
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -20.100
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: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -204.118465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.118465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.118465 (E_RNA)
where:
Base-Base interactions energy: -135.734
where: short stacking energy: -61.737
Base-Backbone interact. energy: -0.096
local terms energy: -68.288772
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -10.632
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: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -177.286665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.286665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.286665 (E_RNA)
where:
Base-Base interactions energy: -108.749
where: short stacking energy: -62.276
Base-Backbone interact. energy: -0.772
local terms energy: -67.766005
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -202.133599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.133599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.133599 (E_RNA)
where:
Base-Base interactions energy: -132.905
where: short stacking energy: -63.008
Base-Backbone interact. energy: -0.002
local terms energy: -69.226175
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -14.455
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: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -148.879218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.879218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.879218 (E_RNA)
where:
Base-Base interactions energy: -98.139
where: short stacking energy: -36.755
Base-Backbone interact. energy: 0.881
local terms energy: -51.621188
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -103.366813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.366813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.366813 (E_RNA)
where:
Base-Base interactions energy: -46.832
where: short stacking energy: -36.093
Base-Backbone interact. energy: -0.034
local terms energy: -56.501189
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -9.776
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: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -97.572858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.572858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.572858 (E_RNA)
where:
Base-Base interactions energy: -38.364
where: short stacking energy: -34.313
Base-Backbone interact. energy: -0.225
local terms energy: -58.984143
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -94.401108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.401108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.401108 (E_RNA)
where:
Base-Base interactions energy: -41.628
where: short stacking energy: -40.907
Base-Backbone interact. energy: -0.001
local terms energy: -52.771787
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -90.317644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.317644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.317644 (E_RNA)
where:
Base-Base interactions energy: -47.377
where: short stacking energy: -29.341
Base-Backbone interact. energy: -0.247
local terms energy: -42.693761
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -74.099866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.099866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.099866 (E_RNA)
where:
Base-Base interactions energy: -26.300
where: short stacking energy: -26.134
Base-Backbone interact. energy: -0.066
local terms energy: -47.734595
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -2.129
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: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -215.521164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.521164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.521164 (E_RNA)
where:
Base-Base interactions energy: -141.587
where: short stacking energy: -59.367
Base-Backbone interact. energy: -0.859
local terms energy: -73.075380
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -9.632
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: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -213.945708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.945708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.945708 (E_RNA)
where:
Base-Base interactions energy: -136.169
where: short stacking energy: -68.260
Base-Backbone interact. energy: -0.010
local terms energy: -77.766384
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -187.082750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.082750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.082750 (E_RNA)
where:
Base-Base interactions energy: -112.700
where: short stacking energy: -69.428
Base-Backbone interact. energy: -0.031
local terms energy: -74.351977
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -192.267071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.267071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.267071 (E_RNA)
where:
Base-Base interactions energy: -123.003
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.006
local terms energy: -69.257554
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -151.792976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.792976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.792976 (E_RNA)
where:
Base-Base interactions energy: -91.663
where: short stacking energy: -45.971
Base-Backbone interact. energy: -0.047
local terms energy: -60.082852
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -6.911
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: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -108.499158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.499158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.499158 (E_RNA)
where:
Base-Base interactions energy: -54.268
where: short stacking energy: -44.112
Base-Backbone interact. energy: -0.749
local terms energy: -53.481823
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -8.791
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -98.739168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.739168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.739168 (E_RNA)
where:
Base-Base interactions energy: -44.339
where: short stacking energy: -44.116
Base-Backbone interact. energy: -0.150
local terms energy: -54.250211
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -97.368767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.368767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.368767 (E_RNA)
where:
Base-Base interactions energy: -44.985
where: short stacking energy: -41.702
Base-Backbone interact. energy: -0.034
local terms energy: -52.349942
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -9.481
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: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -78.436573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.436573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.436573 (E_RNA)
where:
Base-Base interactions energy: -29.197
where: short stacking energy: -22.571
Base-Backbone interact. energy: 1.158
local terms energy: -50.397601
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -9.114
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: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -75.495574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.495574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.495574 (E_RNA)
where:
Base-Base interactions energy: -22.694
where: short stacking energy: -22.403
Base-Backbone interact. energy: 0.043
local terms energy: -52.844753
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -220.630363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.630363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.630363 (E_RNA)
where:
Base-Base interactions energy: -146.246
where: short stacking energy: -59.304
Base-Backbone interact. energy: -0.904
local terms energy: -73.480961
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -193.428512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.428512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.428512 (E_RNA)
where:
Base-Base interactions energy: -126.864
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.011
local terms energy: -66.552752
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -8.549
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -19.856
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: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -208.358188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.358188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.358188 (E_RNA)
where:
Base-Base interactions energy: -134.078
where: short stacking energy: -61.988
Base-Backbone interact. energy: -1.505
local terms energy: -72.775282
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -165.142739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.142739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.142739 (E_RNA)
where:
Base-Base interactions energy: -103.335
where: short stacking energy: -50.443
Base-Backbone interact. energy: -0.030
local terms energy: -61.777427
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -10.246
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: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -166.643415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.643415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.643415 (E_RNA)
where:
Base-Base interactions energy: -100.429
where: short stacking energy: -37.037
Base-Backbone interact. energy: 0.479
local terms energy: -66.693478
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -8.820
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: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -139.757849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.757849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.757849 (E_RNA)
where:
Base-Base interactions energy: -87.284
where: short stacking energy: -41.651
Base-Backbone interact. energy: -0.045
local terms energy: -52.428296
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -91.526932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.526932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.526932 (E_RNA)
where:
Base-Base interactions energy: -34.304
where: short stacking energy: -26.774
Base-Backbone interact. energy: -0.840
local terms energy: -56.383089
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -9.506
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: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -91.210368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.210368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.210368 (E_RNA)
where:
Base-Base interactions energy: -35.158
where: short stacking energy: -34.567
Base-Backbone interact. energy: -0.316
local terms energy: -55.736605
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -83.934967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.934967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.934967 (E_RNA)
where:
Base-Base interactions energy: -36.679
where: short stacking energy: -33.059
Base-Backbone interact. energy: -0.243
local terms energy: -47.012987
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -7.480
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -84.099467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.099467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.099467 (E_RNA)
where:
Base-Base interactions energy: -31.241
where: short stacking energy: -29.355
Base-Backbone interact. energy: 0.446
local terms energy: -53.304902
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -222.973295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.973295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.973295 (E_RNA)
where:
Base-Base interactions energy: -151.007
where: short stacking energy: -60.327
Base-Backbone interact. energy: -1.022
local terms energy: -70.944901
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -18.521
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: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -199.789700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.789700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.789700 (E_RNA)
where:
Base-Base interactions energy: -127.757
where: short stacking energy: -57.535
Base-Backbone interact. energy: -0.059
local terms energy: -71.972797
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -205.697352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.697352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.697352 (E_RNA)
where:
Base-Base interactions energy: -129.174
where: short stacking energy: -54.989
Base-Backbone interact. energy: -0.945
local terms energy: -75.578950
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -184.978004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.978004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.978004 (E_RNA)
where:
Base-Base interactions energy: -118.546
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.312
local terms energy: -66.120064
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -21.470
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: 180
Temperature: 1.100000
Total energy: -162.554328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.554328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.554328 (E_RNA)
where:
Base-Base interactions energy: -92.407
where: short stacking energy: -43.165
Base-Backbone interact. energy: -0.893
local terms energy: -69.254079
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -11.502
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: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -157.671528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.671528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.671528 (E_RNA)
where:
Base-Base interactions energy: -104.280
where: short stacking energy: -40.364
Base-Backbone interact. energy: -0.029
local terms energy: -53.362975
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -94.060773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.060773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.060773 (E_RNA)
where:
Base-Base interactions energy: -43.862
where: short stacking energy: -38.530
Base-Backbone interact. energy: -0.093
local terms energy: -50.105576
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -8.358
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: 180
Temperature: 1.250000
Total energy: -94.030319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.030319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.030319 (E_RNA)
where:
Base-Base interactions energy: -37.168
where: short stacking energy: -33.426
Base-Backbone interact. energy: -0.144
local terms energy: -56.717433
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -6.392
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: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -77.077004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.077004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.077004 (E_RNA)
where:
Base-Base interactions energy: -34.446
where: short stacking energy: -32.080
Base-Backbone interact. energy: 1.055
local terms energy: -43.685404
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -79.735024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.735024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.735024 (E_RNA)
where:
Base-Base interactions energy: -36.501
where: short stacking energy: -30.416
Base-Backbone interact. energy: -0.171
local terms energy: -43.063053
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -7.403
flat angles C4'-P-C4' energy: -9.247
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -209.620095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.620095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.620095 (E_RNA)
where:
Base-Base interactions energy: -143.005
where: short stacking energy: -55.286
Base-Backbone interact. energy: 0.042
local terms energy: -66.657065
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -204.119187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.119187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.119187 (E_RNA)
where:
Base-Base interactions energy: -131.821
where: short stacking energy: -59.355
Base-Backbone interact. energy: -0.807
local terms energy: -71.491294
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -203.395906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.395906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.395906 (E_RNA)
where:
Base-Base interactions energy: -134.133
where: short stacking energy: -48.721
Base-Backbone interact. energy: -0.422
local terms energy: -68.840583
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -186.182579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.182579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.182579 (E_RNA)
where:
Base-Base interactions energy: -109.934
where: short stacking energy: -66.030
Base-Backbone interact. energy: -2.025
local terms energy: -74.223620
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -11.690
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: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -170.479458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.479458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.479458 (E_RNA)
where:
Base-Base interactions energy: -106.807
where: short stacking energy: -41.063
Base-Backbone interact. energy: -0.126
local terms energy: -63.545797
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -176.461098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.461098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.461098 (E_RNA)
where:
Base-Base interactions energy: -116.607
where: short stacking energy: -55.217
Base-Backbone interact. energy: -0.026
local terms energy: -59.827984
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -8.530
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: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -89.658985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.658985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.658985 (E_RNA)
where:
Base-Base interactions energy: -42.155
where: short stacking energy: -35.236
Base-Backbone interact. energy: -0.932
local terms energy: -46.572154
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -3.280
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: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -99.702556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.702556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.702556 (E_RNA)
where:
Base-Base interactions energy: -37.831
where: short stacking energy: -37.831
Base-Backbone interact. energy: -0.218
local terms energy: -61.653508
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -79.516262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.516262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.516262 (E_RNA)
where:
Base-Base interactions energy: -27.223
where: short stacking energy: -27.223
Base-Backbone interact. energy: 0.071
local terms energy: -52.364730
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -76.176504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.176504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.176504 (E_RNA)
where:
Base-Base interactions energy: -37.042
where: short stacking energy: -18.953
Base-Backbone interact. energy: 0.202
local terms energy: -39.336400
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -9.589
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -218.291859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.291859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.291859 (E_RNA)
where:
Base-Base interactions energy: -137.771
where: short stacking energy: -68.915
Base-Backbone interact. energy: -0.001
local terms energy: -80.520247
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -22.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -220.604536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.604536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.604536 (E_RNA)
where:
Base-Base interactions energy: -149.506
where: short stacking energy: -61.048
Base-Backbone interact. energy: -1.004
local terms energy: -70.094285
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -17.911
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: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -210.309803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.309803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.309803 (E_RNA)
where:
Base-Base interactions energy: -137.147
where: short stacking energy: -68.969
Base-Backbone interact. energy: -0.048
local terms energy: -73.115418
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -18.352
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: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -171.906698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.906698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.906698 (E_RNA)
where:
Base-Base interactions energy: -107.356
where: short stacking energy: -53.012
Base-Backbone interact. energy: -0.053
local terms energy: -64.497218
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -12.584
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: 182
Temperature: 1.100000
Total energy: -176.558969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.558969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.558969 (E_RNA)
where:
Base-Base interactions energy: -112.857
where: short stacking energy: -54.357
Base-Backbone interact. energy: -0.327
local terms energy: -63.374457
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -169.831193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.831193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.831193 (E_RNA)
where:
Base-Base interactions energy: -100.502
where: short stacking energy: -49.468
Base-Backbone interact. energy: -0.007
local terms energy: -69.322124
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -96.963261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.963261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.963261 (E_RNA)
where:
Base-Base interactions energy: -48.310
where: short stacking energy: -34.185
Base-Backbone interact. energy: -0.083
local terms energy: -48.570010
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: -5.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -89.316166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.316166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.316166 (E_RNA)
where:
Base-Base interactions energy: -34.046
where: short stacking energy: -33.572
Base-Backbone interact. energy: -0.091
local terms energy: -55.178983
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -89.440839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.440839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.440839 (E_RNA)
where:
Base-Base interactions energy: -38.151
where: short stacking energy: -32.501
Base-Backbone interact. energy: -0.210
local terms energy: -51.080444
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -7.121
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: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -76.178895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.178895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.178895 (E_RNA)
where:
Base-Base interactions energy: -26.913
where: short stacking energy: -25.502
Base-Backbone interact. energy: -0.488
local terms energy: -48.777760
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -215.841088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.841088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.841088 (E_RNA)
where:
Base-Base interactions energy: -135.055
where: short stacking energy: -66.010
Base-Backbone interact. energy: -0.012
local terms energy: -80.774600
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -22.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -213.294685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.294685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.294685 (E_RNA)
where:
Base-Base interactions energy: -140.569
where: short stacking energy: -53.725
Base-Backbone interact. energy: -0.206
local terms energy: -72.519262
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -200.710475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.710475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.710475 (E_RNA)
where:
Base-Base interactions energy: -131.879
where: short stacking energy: -52.680
Base-Backbone interact. energy: -0.529
local terms energy: -68.302609
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -182.813515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.813515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.813515 (E_RNA)
where:
Base-Base interactions energy: -121.903
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.591
local terms energy: -60.319542
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -12.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -178.224983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.224983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.224983 (E_RNA)
where:
Base-Base interactions energy: -109.475
where: short stacking energy: -59.470
Base-Backbone interact. energy: -0.043
local terms energy: -68.707025
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -18.479
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: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -151.232299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.232299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.232299 (E_RNA)
where:
Base-Base interactions energy: -91.750
where: short stacking energy: -47.242
Base-Backbone interact. energy: -0.652
local terms energy: -58.830098
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -84.826880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.826880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.826880 (E_RNA)
where:
Base-Base interactions energy: -33.770
where: short stacking energy: -28.325
Base-Backbone interact. energy: -0.265
local terms energy: -50.792028
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -78.629275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.629275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.629275 (E_RNA)
where:
Base-Base interactions energy: -28.601
where: short stacking energy: -27.619
Base-Backbone interact. energy: -0.071
local terms energy: -49.957698
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -81.309844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.309844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.309844 (E_RNA)
where:
Base-Base interactions energy: -32.037
where: short stacking energy: -29.156
Base-Backbone interact. energy: -0.365
local terms energy: -48.907570
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -5.253
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: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -76.154640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.154640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.154640 (E_RNA)
where:
Base-Base interactions energy: -32.780
where: short stacking energy: -32.780
Base-Backbone interact. energy: -0.005
local terms energy: -43.369665
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -2.780
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -216.916906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.916906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.916906 (E_RNA)
where:
Base-Base interactions energy: -138.005
where: short stacking energy: -68.458
Base-Backbone interact. energy: -0.283
local terms energy: -78.628816
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -19.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -210.458584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.458584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.458584 (E_RNA)
where:
Base-Base interactions energy: -129.198
where: short stacking energy: -59.163
Base-Backbone interact. energy: -0.015
local terms energy: -81.245973
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -202.030524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.030524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.030524 (E_RNA)
where:
Base-Base interactions energy: -135.878
where: short stacking energy: -61.856
Base-Backbone interact. energy: -0.093
local terms energy: -66.058816
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -15.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -176.913374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.913374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.913374 (E_RNA)
where:
Base-Base interactions energy: -122.382
where: short stacking energy: -48.847
Base-Backbone interact. energy: -0.437
local terms energy: -54.093574
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -180.394748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.394748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.394748 (E_RNA)
where:
Base-Base interactions energy: -117.268
where: short stacking energy: -64.906
Base-Backbone interact. energy: -0.117
local terms energy: -63.009964
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -13.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -148.947978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.947978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.947978 (E_RNA)
where:
Base-Base interactions energy: -106.760
where: short stacking energy: -45.351
Base-Backbone interact. energy: -0.112
local terms energy: -42.076406
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -3.044
tors. eta vs tors. theta energy: -11.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -86.920240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.920240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.920240 (E_RNA)
where:
Base-Base interactions energy: -35.600
where: short stacking energy: -26.777
Base-Backbone interact. energy: -0.124
local terms energy: -51.195661
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -77.412947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.412947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.412947 (E_RNA)
where:
Base-Base interactions energy: -33.832
where: short stacking energy: -33.439
Base-Backbone interact. energy: -0.145
local terms energy: -43.435862
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -0.926
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: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -87.938901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.938901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.938901 (E_RNA)
where:
Base-Base interactions energy: -33.282
where: short stacking energy: -32.792
Base-Backbone interact. energy: -0.491
local terms energy: -54.165183
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -5.140
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: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -75.044623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.044623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.044623 (E_RNA)
where:
Base-Base interactions energy: -25.408
where: short stacking energy: -23.150
Base-Backbone interact. energy: -0.326
local terms energy: -49.309877
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -5.756
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: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -222.562630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.562630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.562630 (E_RNA)
where:
Base-Base interactions energy: -143.859
where: short stacking energy: -65.934
Base-Backbone interact. energy: -0.047
local terms energy: -78.656650
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -216.997976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.997976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.997976 (E_RNA)
where:
Base-Base interactions energy: -138.295
where: short stacking energy: -64.214
Base-Backbone interact. energy: -0.363
local terms energy: -78.339673
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -21.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -213.025868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.025868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.025868 (E_RNA)
where:
Base-Base interactions energy: -139.004
where: short stacking energy: -70.915
Base-Backbone interact. energy: -0.014
local terms energy: -74.007930
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -12.081
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: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -178.339354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.339354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.339354 (E_RNA)
where:
Base-Base interactions energy: -124.665
where: short stacking energy: -52.773
Base-Backbone interact. energy: -0.141
local terms energy: -53.533080
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -1.070
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -167.250122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.250122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.250122 (E_RNA)
where:
Base-Base interactions energy: -95.770
where: short stacking energy: -53.904
Base-Backbone interact. energy: -0.004
local terms energy: -71.476520
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -3.977
tors. eta vs tors. theta energy: -19.156
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: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -155.551731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.551731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.551731 (E_RNA)
where:
Base-Base interactions energy: -93.631
where: short stacking energy: -46.477
Base-Backbone interact. energy: -0.346
local terms energy: -61.574140
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -8.860
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: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -88.809425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.809425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.809425 (E_RNA)
where:
Base-Base interactions energy: -33.541
where: short stacking energy: -33.541
Base-Backbone interact. energy: -0.123
local terms energy: -55.145338
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -77.940088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.940088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.940088 (E_RNA)
where:
Base-Base interactions energy: -31.111
where: short stacking energy: -15.842
Base-Backbone interact. energy: -0.447
local terms energy: -46.382775
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: 2.886
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: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -88.394399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.394399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.394399 (E_RNA)
where:
Base-Base interactions energy: -33.134
where: short stacking energy: -33.134
Base-Backbone interact. energy: 0.674
local terms energy: -55.934319
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -76.713601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.713601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.713601 (E_RNA)
where:
Base-Base interactions energy: -31.889
where: short stacking energy: -24.924
Base-Backbone interact. energy: -0.860
local terms energy: -43.965031
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -213.927786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.927786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.927786 (E_RNA)
where:
Base-Base interactions energy: -141.548
where: short stacking energy: -66.761
Base-Backbone interact. energy: -0.872
local terms energy: -71.507724
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -21.756
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: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -214.916515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.916515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.916515 (E_RNA)
where:
Base-Base interactions energy: -141.511
where: short stacking energy: -70.556
Base-Backbone interact. energy: -0.119
local terms energy: -73.286091
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -20.699
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: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -194.996912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.996912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.996912 (E_RNA)
where:
Base-Base interactions energy: -125.987
where: short stacking energy: -62.312
Base-Backbone interact. energy: 0.162
local terms energy: -69.171605
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -191.043402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.043402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.043402 (E_RNA)
where:
Base-Base interactions energy: -125.967
where: short stacking energy: -57.271
Base-Backbone interact. energy: -0.060
local terms energy: -65.016186
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -14.426
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: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -171.533575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.533575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.533575 (E_RNA)
where:
Base-Base interactions energy: -106.069
where: short stacking energy: -51.791
Base-Backbone interact. energy: -0.154
local terms energy: -65.311108
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -12.077
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: 186
Temperature: 1.150000
Total energy: -165.913079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.913079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.913079 (E_RNA)
where:
Base-Base interactions energy: -100.611
where: short stacking energy: -57.000
Base-Backbone interact. energy: -0.088
local terms energy: -65.214465
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -124.561648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.561648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.561648 (E_RNA)
where:
Base-Base interactions energy: -73.547
where: short stacking energy: -38.761
Base-Backbone interact. energy: -0.074
local terms energy: -50.940352
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -6.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -89.491553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.491553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.491553 (E_RNA)
where:
Base-Base interactions energy: -31.560
where: short stacking energy: -31.560
Base-Backbone interact. energy: -0.126
local terms energy: -57.805988
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -97.431915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.431915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.431915 (E_RNA)
where:
Base-Base interactions energy: -44.566
where: short stacking energy: -32.506
Base-Backbone interact. energy: 1.163
local terms energy: -54.028699
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -4.380
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: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -88.505709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.505709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.505709 (E_RNA)
where:
Base-Base interactions energy: -45.967
where: short stacking energy: -42.375
Base-Backbone interact. energy: -0.109
local terms energy: -42.429325
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -8.030
flat angles P-C4'-P energy: -4.787
tors. eta vs tors. theta energy: -6.398
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: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -184.743090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.743090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.743090 (E_RNA)
where:
Base-Base interactions energy: -107.070
where: short stacking energy: -55.680
Base-Backbone interact. energy: -0.709
local terms energy: -76.963329
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -7.843
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: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -204.827093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.827093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.827093 (E_RNA)
where:
Base-Base interactions energy: -129.157
where: short stacking energy: -61.510
Base-Backbone interact. energy: 0.698
local terms energy: -76.368583
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -19.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -176.922337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.922337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.922337 (E_RNA)
where:
Base-Base interactions energy: -111.515
where: short stacking energy: -47.922
Base-Backbone interact. energy: 0.044
local terms energy: -65.450806
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -9.849
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: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -192.059813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.059813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.059813 (E_RNA)
where:
Base-Base interactions energy: -122.588
where: short stacking energy: -51.990
Base-Backbone interact. energy: 0.935
local terms energy: -70.406679
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -11.197
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: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -152.872866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.872866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.872866 (E_RNA)
where:
Base-Base interactions energy: -92.811
where: short stacking energy: -54.737
Base-Backbone interact. energy: -0.057
local terms energy: -60.004771
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -5.053
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: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -160.647063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.647063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.647063 (E_RNA)
where:
Base-Base interactions energy: -98.515
where: short stacking energy: -53.010
Base-Backbone interact. energy: -0.196
local terms energy: -61.935579
where:
bonds (distance) C4'-P energy: -4.053
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -13.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -93.029950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.029950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.029950 (E_RNA)
where:
Base-Base interactions energy: -49.906
where: short stacking energy: -26.288
Base-Backbone interact. energy: -0.109
local terms energy: -43.015570
where:
bonds (distance) C4'-P energy: -5.168
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: 0.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -84.152496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.152496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.152496 (E_RNA)
where:
Base-Base interactions energy: -27.369
where: short stacking energy: -26.269
Base-Backbone interact. energy: -0.217
local terms energy: -56.566006
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -92.211229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.211229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.211229 (E_RNA)
where:
Base-Base interactions energy: -44.901
where: short stacking energy: -33.608
Base-Backbone interact. energy: 0.267
local terms energy: -47.576442
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -7.665
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -80.255539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.255539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.255539 (E_RNA)
where:
Base-Base interactions energy: -39.053
where: short stacking energy: -25.989
Base-Backbone interact. energy: -0.351
local terms energy: -40.851758
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: 0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -224.466893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.466893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.466893 (E_RNA)
where:
Base-Base interactions energy: -142.888
where: short stacking energy: -76.193
Base-Backbone interact. energy: -0.005
local terms energy: -81.574292
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -22.816
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: 188
Temperature: 0.950000
Total energy: -173.441501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.441501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.441501 (E_RNA)
where:
Base-Base interactions energy: -104.720
where: short stacking energy: -46.729
Base-Backbone interact. energy: -0.409
local terms energy: -68.311656
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -195.846929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.846929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.846929 (E_RNA)
where:
Base-Base interactions energy: -126.524
where: short stacking energy: -58.683
Base-Backbone interact. energy: -0.033
local terms energy: -69.290063
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -160.895256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.895256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.895256 (E_RNA)
where:
Base-Base interactions energy: -90.733
where: short stacking energy: -46.481
Base-Backbone interact. energy: -0.038
local terms energy: -70.123860
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -166.989959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.989959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.989959 (E_RNA)
where:
Base-Base interactions energy: -109.821
where: short stacking energy: -45.188
Base-Backbone interact. energy: -0.137
local terms energy: -57.032482
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -6.028
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: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -155.699391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.699391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.699391 (E_RNA)
where:
Base-Base interactions energy: -92.593
where: short stacking energy: -49.414
Base-Backbone interact. energy: -0.286
local terms energy: -62.820806
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -97.308174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.308174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.308174 (E_RNA)
where:
Base-Base interactions energy: -42.269
where: short stacking energy: -41.317
Base-Backbone interact. energy: -0.023
local terms energy: -55.015278
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -8.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -83.450495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.450495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.450495 (E_RNA)
where:
Base-Base interactions energy: -32.945
where: short stacking energy: -22.918
Base-Backbone interact. energy: 3.309
local terms energy: -53.814023
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -6.034
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: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -78.926562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.926562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.926562 (E_RNA)
where:
Base-Base interactions energy: -32.220
where: short stacking energy: -24.870
Base-Backbone interact. energy: -0.412
local terms energy: -46.295293
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -7.008
flat angles P-C4'-P energy: -10.122
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: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -88.006880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.006880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.006880 (E_RNA)
where:
Base-Base interactions energy: -43.236
where: short stacking energy: -17.151
Base-Backbone interact. energy: 1.496
local terms energy: -46.266853
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: 0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -223.588869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.588869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.588869 (E_RNA)
where:
Base-Base interactions energy: -143.214
where: short stacking energy: -65.671
Base-Backbone interact. energy: -0.312
local terms energy: -80.063230
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -187.351387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.351387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.351387 (E_RNA)
where:
Base-Base interactions energy: -120.828
where: short stacking energy: -62.824
Base-Backbone interact. energy: -0.016
local terms energy: -66.506745
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -168.083560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.083560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.083560 (E_RNA)
where:
Base-Base interactions energy: -103.680
where: short stacking energy: -48.883
Base-Backbone interact. energy: -0.415
local terms energy: -63.988542
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -9.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -182.766518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.766518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.766518 (E_RNA)
where:
Base-Base interactions energy: -117.371
where: short stacking energy: -48.726
Base-Backbone interact. energy: -0.007
local terms energy: -65.387801
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -166.383260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.383260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.383260 (E_RNA)
where:
Base-Base interactions energy: -107.769
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.098
local terms energy: -58.515603
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -164.278396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.278396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.278396 (E_RNA)
where:
Base-Base interactions energy: -93.192
where: short stacking energy: -50.000
Base-Backbone interact. energy: -0.093
local terms energy: -70.993437
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -98.197284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.197284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.197284 (E_RNA)
where:
Base-Base interactions energy: -39.393
where: short stacking energy: -39.157
Base-Backbone interact. energy: -0.372
local terms energy: -58.431990
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -117.384820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.384820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.384820 (E_RNA)
where:
Base-Base interactions energy: -59.528
where: short stacking energy: -36.926
Base-Backbone interact. energy: -0.218
local terms energy: -57.639347
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -75.164423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.164423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.164423 (E_RNA)
where:
Base-Base interactions energy: -21.243
where: short stacking energy: -20.529
Base-Backbone interact. energy: 0.059
local terms energy: -53.980025
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -87.426208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.426208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.426208 (E_RNA)
where:
Base-Base interactions energy: -54.624
where: short stacking energy: -28.984
Base-Backbone interact. energy: -0.466
local terms energy: -32.336444
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: 4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -224.280391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.280391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.280391 (E_RNA)
where:
Base-Base interactions energy: -147.758
where: short stacking energy: -65.816
Base-Backbone interact. energy: -0.025
local terms energy: -76.498173
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -20.796
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: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -198.570927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.570927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.570927 (E_RNA)
where:
Base-Base interactions energy: -126.138
where: short stacking energy: -64.904
Base-Backbone interact. energy: -0.605
local terms energy: -71.827590
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -181.317992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.317992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.317992 (E_RNA)
where:
Base-Base interactions energy: -117.039
where: short stacking energy: -52.779
Base-Backbone interact. energy: -0.020
local terms energy: -64.258322
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -139.514864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.514864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.514864 (E_RNA)
where:
Base-Base interactions energy: -74.574
where: short stacking energy: -44.620
Base-Backbone interact. energy: -0.278
local terms energy: -64.662470
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -10.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -177.066313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.066313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.066313 (E_RNA)
where:
Base-Base interactions energy: -105.867
where: short stacking energy: -52.741
Base-Backbone interact. energy: -0.004
local terms energy: -71.194819
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -154.755626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.755626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.755626 (E_RNA)
where:
Base-Base interactions energy: -94.739
where: short stacking energy: -44.194
Base-Backbone interact. energy: -0.054
local terms energy: -59.962467
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -11.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -131.385806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.385806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.385806 (E_RNA)
where:
Base-Base interactions energy: -65.987
where: short stacking energy: -39.611
Base-Backbone interact. energy: -1.087
local terms energy: -64.311573
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -82.847863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.847863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.847863 (E_RNA)
where:
Base-Base interactions energy: -37.581
where: short stacking energy: -25.102
Base-Backbone interact. energy: -0.083
local terms energy: -45.183611
where:
bonds (distance) C4'-P energy: -6.816
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -6.214
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: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -119.241824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.241824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.241824 (E_RNA)
where:
Base-Base interactions energy: -64.117
where: short stacking energy: -38.658
Base-Backbone interact. energy: -0.038
local terms energy: -55.086915
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -93.543498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.543498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.543498 (E_RNA)
where:
Base-Base interactions energy: -36.642
where: short stacking energy: -34.162
Base-Backbone interact. energy: -0.174
local terms energy: -56.728158
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -5.754
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: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -219.226739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.226739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.226739 (E_RNA)
where:
Base-Base interactions energy: -142.275
where: short stacking energy: -68.697
Base-Backbone interact. energy: -0.072
local terms energy: -76.879151
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -196.439967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.439967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.439967 (E_RNA)
where:
Base-Base interactions energy: -122.652
where: short stacking energy: -62.826
Base-Backbone interact. energy: -0.005
local terms energy: -73.782687
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -188.469339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.469339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.469339 (E_RNA)
where:
Base-Base interactions energy: -126.967
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.057
local terms energy: -61.445805
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -169.123396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.123396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.123396 (E_RNA)
where:
Base-Base interactions energy: -101.174
where: short stacking energy: -52.389
Base-Backbone interact. energy: -0.253
local terms energy: -67.696780
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -152.488060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.488060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.488060 (E_RNA)
where:
Base-Base interactions energy: -87.220
where: short stacking energy: -50.139
Base-Backbone interact. energy: -0.071
local terms energy: -65.196786
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -6.907
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: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -155.830990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.830990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.830990 (E_RNA)
where:
Base-Base interactions energy: -101.994
where: short stacking energy: -51.158
Base-Backbone interact. energy: -1.220
local terms energy: -52.617369
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -11.655
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: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -144.585806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.585806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.585806 (E_RNA)
where:
Base-Base interactions energy: -84.880
where: short stacking energy: -43.528
Base-Backbone interact. energy: -0.797
local terms energy: -58.909170
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -161.704244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.704244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.704244 (E_RNA)
where:
Base-Base interactions energy: -100.810
where: short stacking energy: -47.222
Base-Backbone interact. energy: 0.873
local terms energy: -61.766887
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -12.136
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: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -85.108584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.108584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.108584 (E_RNA)
where:
Base-Base interactions energy: -32.625
where: short stacking energy: -26.923
Base-Backbone interact. energy: -0.111
local terms energy: -52.371869
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -72.188332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.188332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.188332 (E_RNA)
where:
Base-Base interactions energy: -29.825
where: short stacking energy: -23.518
Base-Backbone interact. energy: -0.259
local terms energy: -42.104119
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -4.903
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -217.674364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.674364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.674364 (E_RNA)
where:
Base-Base interactions energy: -137.372
where: short stacking energy: -70.363
Base-Backbone interact. energy: -0.817
local terms energy: -79.485852
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -196.455708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.455708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.455708 (E_RNA)
where:
Base-Base interactions energy: -130.068
where: short stacking energy: -65.584
Base-Backbone interact. energy: -0.422
local terms energy: -65.965127
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -189.912927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.912927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.912927 (E_RNA)
where:
Base-Base interactions energy: -121.685
where: short stacking energy: -65.651
Base-Backbone interact. energy: 0.086
local terms energy: -68.314046
where:
bonds (distance) C4'-P energy: -7.388
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -8.708
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: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -163.992003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.992003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.992003 (E_RNA)
where:
Base-Base interactions energy: -95.094
where: short stacking energy: -52.173
Base-Backbone interact. energy: 0.484
local terms energy: -69.381961
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -163.158464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.158464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.158464 (E_RNA)
where:
Base-Base interactions energy: -99.337
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.093
local terms energy: -63.727929
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -3.082
tors. eta vs tors. theta energy: -16.388
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: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -156.103697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.103697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.103697 (E_RNA)
where:
Base-Base interactions energy: -90.111
where: short stacking energy: -57.507
Base-Backbone interact. energy: -0.336
local terms energy: -65.656052
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -146.763375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.763375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.763375 (E_RNA)
where:
Base-Base interactions energy: -83.167
where: short stacking energy: -36.384
Base-Backbone interact. energy: -0.521
local terms energy: -63.075148
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -12.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -141.070977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.070977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.070977 (E_RNA)
where:
Base-Base interactions energy: -83.645
where: short stacking energy: -48.556
Base-Backbone interact. energy: -0.024
local terms energy: -57.401764
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -8.756
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: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -76.640606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.640606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.640606 (E_RNA)
where:
Base-Base interactions energy: -28.248
where: short stacking energy: -24.847
Base-Backbone interact. energy: -0.067
local terms energy: -48.326169
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -81.141632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.141632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.141632 (E_RNA)
where:
Base-Base interactions energy: -29.325
where: short stacking energy: -28.389
Base-Backbone interact. energy: -0.141
local terms energy: -51.675209
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -210.092205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.092205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.092205 (E_RNA)
where:
Base-Base interactions energy: -131.640
where: short stacking energy: -60.752
Base-Backbone interact. energy: -0.057
local terms energy: -78.395580
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -161.076876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.076876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.076876 (E_RNA)
where:
Base-Base interactions energy: -96.285
where: short stacking energy: -52.729
Base-Backbone interact. energy: -0.124
local terms energy: -64.668024
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -8.959
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: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -182.979625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.979625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.979625 (E_RNA)
where:
Base-Base interactions energy: -118.657
where: short stacking energy: -54.562
Base-Backbone interact. energy: 0.383
local terms energy: -64.705288
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -164.264239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.264239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.264239 (E_RNA)
where:
Base-Base interactions energy: -103.419
where: short stacking energy: -53.841
Base-Backbone interact. energy: -0.460
local terms energy: -60.385277
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -144.312500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.312500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.312500 (E_RNA)
where:
Base-Base interactions energy: -82.974
where: short stacking energy: -40.760
Base-Backbone interact. energy: -0.114
local terms energy: -61.224878
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -10.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -138.791770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.791770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.791770 (E_RNA)
where:
Base-Base interactions energy: -74.649
where: short stacking energy: -32.219
Base-Backbone interact. energy: -0.020
local terms energy: -64.123411
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -8.391
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: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -118.147388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.147388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.147388 (E_RNA)
where:
Base-Base interactions energy: -69.779
where: short stacking energy: -35.305
Base-Backbone interact. energy: -0.217
local terms energy: -48.151492
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -140.621119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.621119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.621119 (E_RNA)
where:
Base-Base interactions energy: -93.047
where: short stacking energy: -45.368
Base-Backbone interact. energy: -0.126
local terms energy: -47.447901
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -5.842
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -81.203815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.203815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.203815 (E_RNA)
where:
Base-Base interactions energy: -37.686
where: short stacking energy: -29.947
Base-Backbone interact. energy: 0.372
local terms energy: -43.890004
where:
bonds (distance) C4'-P energy: -8.043
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -82.349593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349593 (E_RNA)
where:
Base-Base interactions energy: -30.134
where: short stacking energy: -23.431
Base-Backbone interact. energy: 0.386
local terms energy: -52.601084
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -220.805213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.805213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.805213 (E_RNA)
where:
Base-Base interactions energy: -147.082
where: short stacking energy: -56.908
Base-Backbone interact. energy: -1.129
local terms energy: -72.594465
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -188.429343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.429343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.429343 (E_RNA)
where:
Base-Base interactions energy: -114.093
where: short stacking energy: -64.604
Base-Backbone interact. energy: -0.099
local terms energy: -74.237441
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -180.031461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.031461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.031461 (E_RNA)
where:
Base-Base interactions energy: -118.324
where: short stacking energy: -72.435
Base-Backbone interact. energy: -0.002
local terms energy: -61.705663
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -181.017707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.017707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.017707 (E_RNA)
where:
Base-Base interactions energy: -117.168
where: short stacking energy: -50.110
Base-Backbone interact. energy: -0.066
local terms energy: -63.783615
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -9.681
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: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -162.028775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.028775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.028775 (E_RNA)
where:
Base-Base interactions energy: -100.399
where: short stacking energy: -57.149
Base-Backbone interact. energy: -0.274
local terms energy: -61.355971
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -143.939998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.939998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.939998 (E_RNA)
where:
Base-Base interactions energy: -79.032
where: short stacking energy: -42.002
Base-Backbone interact. energy: -0.466
local terms energy: -64.441963
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -169.709637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.709637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.709637 (E_RNA)
where:
Base-Base interactions energy: -106.030
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.011
local terms energy: -63.668501
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -89.569693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.569693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.569693 (E_RNA)
where:
Base-Base interactions energy: -32.883
where: short stacking energy: -32.883
Base-Backbone interact. energy: -0.010
local terms energy: -56.676549
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -84.775618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.775618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.775618 (E_RNA)
where:
Base-Base interactions energy: -35.435
where: short stacking energy: -34.305
Base-Backbone interact. energy: 0.588
local terms energy: -49.928102
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -6.196
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: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -87.816463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.816463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.816463 (E_RNA)
where:
Base-Base interactions energy: -35.959
where: short stacking energy: -35.959
Base-Backbone interact. energy: 0.626
local terms energy: -52.483725
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -222.816378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.816378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.816378 (E_RNA)
where:
Base-Base interactions energy: -145.746
where: short stacking energy: -68.188
Base-Backbone interact. energy: -0.498
local terms energy: -76.572965
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -21.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -180.925542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.925542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.925542 (E_RNA)
where:
Base-Base interactions energy: -104.503
where: short stacking energy: -64.741
Base-Backbone interact. energy: -0.043
local terms energy: -76.379614
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -191.021145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.021145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.021145 (E_RNA)
where:
Base-Base interactions energy: -117.231
where: short stacking energy: -52.723
Base-Backbone interact. energy: -0.161
local terms energy: -73.628689
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -159.060585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.060585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.060585 (E_RNA)
where:
Base-Base interactions energy: -92.339
where: short stacking energy: -55.542
Base-Backbone interact. energy: -0.298
local terms energy: -66.424096
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -14.809
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: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -145.073621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.073621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.073621 (E_RNA)
where:
Base-Base interactions energy: -88.345
where: short stacking energy: -48.176
Base-Backbone interact. energy: -0.057
local terms energy: -56.671253
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -173.312039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.312039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.312039 (E_RNA)
where:
Base-Base interactions energy: -113.287
where: short stacking energy: -59.643
Base-Backbone interact. energy: -0.005
local terms energy: -60.020785
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -9.371
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -8.911
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: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -145.934616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.934616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.934616 (E_RNA)
where:
Base-Base interactions energy: -81.205
where: short stacking energy: -48.263
Base-Backbone interact. energy: -0.022
local terms energy: -64.708379
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -8.385
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: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -120.130831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.130831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.130831 (E_RNA)
where:
Base-Base interactions energy: -70.709
where: short stacking energy: -42.170
Base-Backbone interact. energy: 0.901
local terms energy: -50.322281
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -91.021431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.021431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.021431 (E_RNA)
where:
Base-Base interactions energy: -37.879
where: short stacking energy: -35.081
Base-Backbone interact. energy: -0.197
local terms energy: -52.944864
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -75.451385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.451385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.451385 (E_RNA)
where:
Base-Base interactions energy: -24.517
where: short stacking energy: -16.224
Base-Backbone interact. energy: -0.105
local terms energy: -50.829281
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -6.184
flat angles P-C4'-P energy: -12.997
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: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -191.257242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.257242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.257242 (E_RNA)
where:
Base-Base interactions energy: -115.788
where: short stacking energy: -66.853
Base-Backbone interact. energy: -0.003
local terms energy: -75.466119
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -19.131
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: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -217.507923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.507923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.507923 (E_RNA)
where:
Base-Base interactions energy: -147.571
where: short stacking energy: -58.270
Base-Backbone interact. energy: -0.516
local terms energy: -69.420276
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -174.711981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.711981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.711981 (E_RNA)
where:
Base-Base interactions energy: -100.366
where: short stacking energy: -62.130
Base-Backbone interact. energy: -0.292
local terms energy: -74.053720
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -169.577038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.577038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.577038 (E_RNA)
where:
Base-Base interactions energy: -108.405
where: short stacking energy: -59.793
Base-Backbone interact. energy: -0.025
local terms energy: -61.147297
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -9.361
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -169.520802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.520802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.520802 (E_RNA)
where:
Base-Base interactions energy: -101.253
where: short stacking energy: -49.870
Base-Backbone interact. energy: -0.100
local terms energy: -68.166966
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -12.380
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: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -153.446951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.446951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.446951 (E_RNA)
where:
Base-Base interactions energy: -86.410
where: short stacking energy: -46.130
Base-Backbone interact. energy: -0.315
local terms energy: -66.721460
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -8.665
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: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -157.988664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.988664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.988664 (E_RNA)
where:
Base-Base interactions energy: -92.366
where: short stacking energy: -49.703
Base-Backbone interact. energy: 0.259
local terms energy: -65.882340
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -9.185
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: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -124.228489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.228489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.228489 (E_RNA)
where:
Base-Base interactions energy: -62.042
where: short stacking energy: -34.458
Base-Backbone interact. energy: -2.436
local terms energy: -59.749864
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -8.015
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: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -87.463404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.463404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.463404 (E_RNA)
where:
Base-Base interactions energy: -45.253
where: short stacking energy: -30.628
Base-Backbone interact. energy: -0.982
local terms energy: -41.228579
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -2.551
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -76.218047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.218047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.218047 (E_RNA)
where:
Base-Base interactions energy: -29.427
where: short stacking energy: -29.427
Base-Backbone interact. energy: 0.591
local terms energy: -47.381964
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -181.358452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.358452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.358452 (E_RNA)
where:
Base-Base interactions energy: -105.912
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.019
local terms energy: -75.427430
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -223.456017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.456017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.456017 (E_RNA)
where:
Base-Base interactions energy: -149.171
where: short stacking energy: -57.767
Base-Backbone interact. energy: -0.703
local terms energy: -73.581695
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -184.779411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.779411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.779411 (E_RNA)
where:
Base-Base interactions energy: -111.332
where: short stacking energy: -67.402
Base-Backbone interact. energy: -0.001
local terms energy: -73.446157
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -20.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -177.337809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.337809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.337809 (E_RNA)
where:
Base-Base interactions energy: -111.297
where: short stacking energy: -45.047
Base-Backbone interact. energy: -0.004
local terms energy: -66.036971
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -162.483388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.483388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.483388 (E_RNA)
where:
Base-Base interactions energy: -93.103
where: short stacking energy: -50.951
Base-Backbone interact. energy: -0.840
local terms energy: -68.540023
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -157.313585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.313585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.313585 (E_RNA)
where:
Base-Base interactions energy: -96.414
where: short stacking energy: -47.251
Base-Backbone interact. energy: -0.281
local terms energy: -60.619337
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -9.891
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: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -145.972232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.972232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.972232 (E_RNA)
where:
Base-Base interactions energy: -87.787
where: short stacking energy: -51.054
Base-Backbone interact. energy: 0.702
local terms energy: -58.886774
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -88.435545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.435545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.435545 (E_RNA)
where:
Base-Base interactions energy: -30.085
where: short stacking energy: -28.326
Base-Backbone interact. energy: -0.174
local terms energy: -58.176094
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -81.725723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.725723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.725723 (E_RNA)
where:
Base-Base interactions energy: -28.082
where: short stacking energy: -28.082
Base-Backbone interact. energy: -0.052
local terms energy: -53.591740
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -70.509853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.509853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.509853 (E_RNA)
where:
Base-Base interactions energy: -27.881
where: short stacking energy: -22.184
Base-Backbone interact. energy: 0.088
local terms energy: -42.716314
where:
bonds (distance) C4'-P energy: -7.645
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -220.301875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.301875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.301875 (E_RNA)
where:
Base-Base interactions energy: -146.789
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.680
local terms energy: -72.832441
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -176.940384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.940384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.940384 (E_RNA)
where:
Base-Base interactions energy: -108.536
where: short stacking energy: -54.359
Base-Backbone interact. energy: -0.771
local terms energy: -67.634318
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -12.104
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: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -190.020564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.020564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.020564 (E_RNA)
where:
Base-Base interactions energy: -126.206
where: short stacking energy: -49.868
Base-Backbone interact. energy: -0.758
local terms energy: -63.056978
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -196.718832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.718832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.718832 (E_RNA)
where:
Base-Base interactions energy: -125.859
where: short stacking energy: -65.339
Base-Backbone interact. energy: -0.009
local terms energy: -70.850308
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -19.259
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: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -163.639892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.639892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.639892 (E_RNA)
where:
Base-Base interactions energy: -104.108
where: short stacking energy: -49.879
Base-Backbone interact. energy: -0.005
local terms energy: -59.526211
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -5.484
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: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -158.764269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.764269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.764269 (E_RNA)
where:
Base-Base interactions energy: -94.553
where: short stacking energy: -50.322
Base-Backbone interact. energy: -0.419
local terms energy: -63.792448
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -156.459054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.459054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.459054 (E_RNA)
where:
Base-Base interactions energy: -97.863
where: short stacking energy: -47.149
Base-Backbone interact. energy: -0.511
local terms energy: -58.085781
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -11.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -92.320152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.320152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.320152 (E_RNA)
where:
Base-Base interactions energy: -49.867
where: short stacking energy: -25.967
Base-Backbone interact. energy: -0.104
local terms energy: -42.349726
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -77.734321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.734321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.734321 (E_RNA)
where:
Base-Base interactions energy: -33.108
where: short stacking energy: -21.314
Base-Backbone interact. energy: -0.157
local terms energy: -44.468988
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: 1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -90.024405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.024405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.024405 (E_RNA)
where:
Base-Base interactions energy: -33.778
where: short stacking energy: -32.507
Base-Backbone interact. energy: -0.165
local terms energy: -56.081075
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -213.512356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.512356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.512356 (E_RNA)
where:
Base-Base interactions energy: -145.931
where: short stacking energy: -60.387
Base-Backbone interact. energy: 2.343
local terms energy: -69.924484
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -12.328
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: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -213.258660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.258660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.258660 (E_RNA)
where:
Base-Base interactions energy: -146.967
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.270
local terms energy: -66.021189
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -184.197665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.197665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.197665 (E_RNA)
where:
Base-Base interactions energy: -112.128
where: short stacking energy: -61.691
Base-Backbone interact. energy: -0.075
local terms energy: -71.995150
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -191.198704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.198704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.198704 (E_RNA)
where:
Base-Base interactions energy: -126.091
where: short stacking energy: -58.897
Base-Backbone interact. energy: -0.044
local terms energy: -65.062917
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -16.827
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: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -158.804354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.804354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.804354 (E_RNA)
where:
Base-Base interactions energy: -98.755
where: short stacking energy: -41.513
Base-Backbone interact. energy: -0.812
local terms energy: -59.237813
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -167.600633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.600633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.600633 (E_RNA)
where:
Base-Base interactions energy: -99.428
where: short stacking energy: -46.615
Base-Backbone interact. energy: -0.969
local terms energy: -67.203397
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -153.486011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.486011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.486011 (E_RNA)
where:
Base-Base interactions energy: -89.421
where: short stacking energy: -44.352
Base-Backbone interact. energy: -0.128
local terms energy: -63.936139
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -13.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -82.858979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.858979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.858979 (E_RNA)
where:
Base-Base interactions energy: -30.566
where: short stacking energy: -25.962
Base-Backbone interact. energy: -0.360
local terms energy: -51.932729
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: 2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -89.969069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.969069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.969069 (E_RNA)
where:
Base-Base interactions energy: -40.200
where: short stacking energy: -40.200
Base-Backbone interact. energy: -0.024
local terms energy: -49.745407
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -8.245
flat angles P-C4'-P energy: -8.604
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: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -76.906732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.906732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.906732 (E_RNA)
where:
Base-Base interactions energy: -25.151
where: short stacking energy: -18.066
Base-Backbone interact. energy: -0.214
local terms energy: -51.542199
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -6.787
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: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -209.226908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.226908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.226908 (E_RNA)
where:
Base-Base interactions energy: -133.398
where: short stacking energy: -63.213
Base-Backbone interact. energy: -0.036
local terms energy: -75.793045
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -211.354133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.354133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.354133 (E_RNA)
where:
Base-Base interactions energy: -141.580
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.121
local terms energy: -69.653591
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -15.928
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: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -180.828209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.828209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.828209 (E_RNA)
where:
Base-Base interactions energy: -111.769
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.112
local terms energy: -68.947889
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -10.281
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: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -169.426571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.426571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.426571 (E_RNA)
where:
Base-Base interactions energy: -103.982
where: short stacking energy: -53.929
Base-Backbone interact. energy: -0.002
local terms energy: -65.442923
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -14.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -168.288777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.288777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.288777 (E_RNA)
where:
Base-Base interactions energy: -106.035
where: short stacking energy: -47.809
Base-Backbone interact. energy: -0.015
local terms energy: -62.238805
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -10.118
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: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -161.483127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.483127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.483127 (E_RNA)
where:
Base-Base interactions energy: -95.114
where: short stacking energy: -53.853
Base-Backbone interact. energy: -0.019
local terms energy: -66.350298
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -131.447591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.447591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.447591 (E_RNA)
where:
Base-Base interactions energy: -73.618
where: short stacking energy: -40.881
Base-Backbone interact. energy: -0.074
local terms energy: -57.755777
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -91.010455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.010455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.010455 (E_RNA)
where:
Base-Base interactions energy: -37.972
where: short stacking energy: -37.972
Base-Backbone interact. energy: -0.151
local terms energy: -52.886900
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -82.148571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.148571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.148571 (E_RNA)
where:
Base-Base interactions energy: -35.658
where: short stacking energy: -27.728
Base-Backbone interact. energy: -0.153
local terms energy: -46.337637
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -90.132237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.132237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.132237 (E_RNA)
where:
Base-Base interactions energy: -38.368
where: short stacking energy: -38.368
Base-Backbone interact. energy: -0.018
local terms energy: -51.745660
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -214.183017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.183017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.183017 (E_RNA)
where:
Base-Base interactions energy: -140.773
where: short stacking energy: -58.443
Base-Backbone interact. energy: -0.009
local terms energy: -73.401901
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -16.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -212.120715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.120715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.120715 (E_RNA)
where:
Base-Base interactions energy: -145.304
where: short stacking energy: -60.474
Base-Backbone interact. energy: -0.005
local terms energy: -66.811910
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -179.436495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.436495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.436495 (E_RNA)
where:
Base-Base interactions energy: -113.724
where: short stacking energy: -66.592
Base-Backbone interact. energy: -0.016
local terms energy: -65.696260
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -14.048
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: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -175.960044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.960044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.960044 (E_RNA)
where:
Base-Base interactions energy: -120.997
where: short stacking energy: -50.509
Base-Backbone interact. energy: 1.183
local terms energy: -56.145930
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -7.083
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -150.210681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.210681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.210681 (E_RNA)
where:
Base-Base interactions energy: -89.064
where: short stacking energy: -47.579
Base-Backbone interact. energy: -0.154
local terms energy: -60.992118
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -5.381
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: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -162.801085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.801085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.801085 (E_RNA)
where:
Base-Base interactions energy: -103.132
where: short stacking energy: -39.805
Base-Backbone interact. energy: 1.240
local terms energy: -60.908454
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -159.746142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.746142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.746142 (E_RNA)
where:
Base-Base interactions energy: -90.455
where: short stacking energy: -49.307
Base-Backbone interact. energy: -0.004
local terms energy: -69.286603
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -83.132125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.132125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.132125 (E_RNA)
where:
Base-Base interactions energy: -25.496
where: short stacking energy: -22.318
Base-Backbone interact. energy: -0.246
local terms energy: -57.390444
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -2.051
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: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -82.005363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.005363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.005363 (E_RNA)
where:
Base-Base interactions energy: -32.888
where: short stacking energy: -30.673
Base-Backbone interact. energy: -1.970
local terms energy: -47.147363
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -77.685448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.685448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.685448 (E_RNA)
where:
Base-Base interactions energy: -29.467
where: short stacking energy: -29.467
Base-Backbone interact. energy: 0.216
local terms energy: -48.435115
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -5.484
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: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -217.108446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.108446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.108446 (E_RNA)
where:
Base-Base interactions energy: -142.055
where: short stacking energy: -65.104
Base-Backbone interact. energy: -0.651
local terms energy: -74.402339
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -203.235845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.235845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.235845 (E_RNA)
where:
Base-Base interactions energy: -135.593
where: short stacking energy: -64.407
Base-Backbone interact. energy: -1.406
local terms energy: -66.237225
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -15.305
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: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -180.162355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.162355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.162355 (E_RNA)
where:
Base-Base interactions energy: -110.335
where: short stacking energy: -56.201
Base-Backbone interact. energy: 2.721
local terms energy: -72.548685
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -8.741
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: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -179.223976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.223976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.223976 (E_RNA)
where:
Base-Base interactions energy: -105.404
where: short stacking energy: -42.577
Base-Backbone interact. energy: -0.046
local terms energy: -73.773852
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -168.555941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.555941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.555941 (E_RNA)
where:
Base-Base interactions energy: -110.065
where: short stacking energy: -41.804
Base-Backbone interact. energy: -0.021
local terms energy: -58.469900
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -136.875599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.875599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.875599 (E_RNA)
where:
Base-Base interactions energy: -82.478
where: short stacking energy: -40.378
Base-Backbone interact. energy: -0.135
local terms energy: -54.262737
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -152.335864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.335864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.335864 (E_RNA)
where:
Base-Base interactions energy: -91.932
where: short stacking energy: -45.719
Base-Backbone interact. energy: -0.152
local terms energy: -60.251772
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -11.014
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: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -86.371636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.371636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.371636 (E_RNA)
where:
Base-Base interactions energy: -34.991
where: short stacking energy: -24.325
Base-Backbone interact. energy: -1.110
local terms energy: -50.271467
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -8.836
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: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -84.366504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.366504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.366504 (E_RNA)
where:
Base-Base interactions energy: -30.510
where: short stacking energy: -30.161
Base-Backbone interact. energy: -0.131
local terms energy: -53.726140
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -83.232035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.232035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.232035 (E_RNA)
where:
Base-Base interactions energy: -36.234
where: short stacking energy: -20.277
Base-Backbone interact. energy: 0.337
local terms energy: -47.334890
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -8.661
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: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -212.545864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.545864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.545864 (E_RNA)
where:
Base-Base interactions energy: -144.055
where: short stacking energy: -63.803
Base-Backbone interact. energy: -0.130
local terms energy: -68.361339
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -8.043
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: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -168.004227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.004227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.004227 (E_RNA)
where:
Base-Base interactions energy: -100.078
where: short stacking energy: -57.862
Base-Backbone interact. energy: -0.018
local terms energy: -67.908090
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -8.083
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: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -190.001337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.001337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.001337 (E_RNA)
where:
Base-Base interactions energy: -124.861
where: short stacking energy: -54.981
Base-Backbone interact. energy: -0.007
local terms energy: -65.134198
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -10.812
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: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -183.121874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.121874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.121874 (E_RNA)
where:
Base-Base interactions energy: -111.913
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.200
local terms energy: -71.008766
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -13.423
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: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -156.341822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.341822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.341822 (E_RNA)
where:
Base-Base interactions energy: -100.062
where: short stacking energy: -53.519
Base-Backbone interact. energy: -0.289
local terms energy: -55.990384
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -10.794
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: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -158.519320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.519320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.519320 (E_RNA)
where:
Base-Base interactions energy: -101.996
where: short stacking energy: -56.318
Base-Backbone interact. energy: -0.104
local terms energy: -56.419695
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -8.844
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: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -127.845769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.845769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.845769 (E_RNA)
where:
Base-Base interactions energy: -77.677
where: short stacking energy: -45.377
Base-Backbone interact. energy: 0.204
local terms energy: -50.373344
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -82.972035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.972035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.972035 (E_RNA)
where:
Base-Base interactions energy: -30.438
where: short stacking energy: -25.320
Base-Backbone interact. energy: -0.088
local terms energy: -52.446407
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -77.891702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.891702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.891702 (E_RNA)
where:
Base-Base interactions energy: -28.898
where: short stacking energy: -23.086
Base-Backbone interact. energy: 0.662
local terms energy: -49.655101
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -84.990132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.990132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.990132 (E_RNA)
where:
Base-Base interactions energy: -33.180
where: short stacking energy: -22.721
Base-Backbone interact. energy: -0.127
local terms energy: -51.683010
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -7.638
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: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -213.824201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.824201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.824201 (E_RNA)
where:
Base-Base interactions energy: -135.559
where: short stacking energy: -58.544
Base-Backbone interact. energy: -0.727
local terms energy: -77.538578
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -198.618289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.618289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.618289 (E_RNA)
where:
Base-Base interactions energy: -130.825
where: short stacking energy: -61.637
Base-Backbone interact. energy: -0.001
local terms energy: -67.792236
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -176.378578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.378578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.378578 (E_RNA)
where:
Base-Base interactions energy: -105.591
where: short stacking energy: -51.208
Base-Backbone interact. energy: -0.293
local terms energy: -70.495224
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -7.376
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: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -178.551451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.551451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.551451 (E_RNA)
where:
Base-Base interactions energy: -119.047
where: short stacking energy: -52.379
Base-Backbone interact. energy: -0.622
local terms energy: -58.883128
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -10.996
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: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -153.238501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.238501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.238501 (E_RNA)
where:
Base-Base interactions energy: -94.793
where: short stacking energy: -50.282
Base-Backbone interact. energy: -0.612
local terms energy: -57.833641
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -165.901140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.901140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.901140 (E_RNA)
where:
Base-Base interactions energy: -105.534
where: short stacking energy: -44.000
Base-Backbone interact. energy: -0.157
local terms energy: -60.210630
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -97.212501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.212501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.212501 (E_RNA)
where:
Base-Base interactions energy: -32.244
where: short stacking energy: -32.244
Base-Backbone interact. energy: -1.228
local terms energy: -63.739538
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -8.040
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: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -91.442366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.442366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.442366 (E_RNA)
where:
Base-Base interactions energy: -36.830
where: short stacking energy: -29.478
Base-Backbone interact. energy: -0.482
local terms energy: -54.130501
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -91.944080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.944080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.944080 (E_RNA)
where:
Base-Base interactions energy: -40.947
where: short stacking energy: -36.350
Base-Backbone interact. energy: -0.149
local terms energy: -50.847964
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -1.967
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -66.764751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.764751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.764751 (E_RNA)
where:
Base-Base interactions energy: -23.897
where: short stacking energy: -20.051
Base-Backbone interact. energy: -0.928
local terms energy: -41.939269
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: 2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -209.816644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.816644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.816644 (E_RNA)
where:
Base-Base interactions energy: -138.574
where: short stacking energy: -45.539
Base-Backbone interact. energy: -0.253
local terms energy: -70.989456
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -192.773976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.773976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.773976 (E_RNA)
where:
Base-Base interactions energy: -129.840
where: short stacking energy: -53.935
Base-Backbone interact. energy: -0.027
local terms energy: -62.907434
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -12.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -168.998986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.998986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.998986 (E_RNA)
where:
Base-Base interactions energy: -98.666
where: short stacking energy: -50.203
Base-Backbone interact. energy: -1.285
local terms energy: -69.048223
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -205.679230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.679230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.679230 (E_RNA)
where:
Base-Base interactions energy: -131.269
where: short stacking energy: -57.307
Base-Backbone interact. energy: -0.098
local terms energy: -74.311941
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -172.374225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.374225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.374225 (E_RNA)
where:
Base-Base interactions energy: -108.399
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.026
local terms energy: -63.948473
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -163.371587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.371587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.371587 (E_RNA)
where:
Base-Base interactions energy: -111.790
where: short stacking energy: -34.043
Base-Backbone interact. energy: -0.322
local terms energy: -51.259512
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -101.508516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.508516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.508516 (E_RNA)
where:
Base-Base interactions energy: -50.017
where: short stacking energy: -37.056
Base-Backbone interact. energy: -0.234
local terms energy: -51.257296
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -8.728
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -92.260127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.260127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.260127 (E_RNA)
where:
Base-Base interactions energy: -46.836
where: short stacking energy: -26.127
Base-Backbone interact. energy: -0.035
local terms energy: -45.389119
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.212
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: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -79.942126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.942126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.942126 (E_RNA)
where:
Base-Base interactions energy: -36.057
where: short stacking energy: -36.005
Base-Backbone interact. energy: 2.002
local terms energy: -45.887238
where:
bonds (distance) C4'-P energy: -6.886
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -6.858
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: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -74.660757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.660757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.660757 (E_RNA)
where:
Base-Base interactions energy: -26.739
where: short stacking energy: -26.739
Base-Backbone interact. energy: -0.208
local terms energy: -47.713245
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -8.127
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: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -209.873636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.873636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.873636 (E_RNA)
where:
Base-Base interactions energy: -131.966
where: short stacking energy: -63.089
Base-Backbone interact. energy: -0.300
local terms energy: -77.608431
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -18.562
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: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -197.768647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.768647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.768647 (E_RNA)
where:
Base-Base interactions energy: -134.510
where: short stacking energy: -65.220
Base-Backbone interact. energy: -0.085
local terms energy: -63.174257
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -12.998
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: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -195.085317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.085317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.085317 (E_RNA)
where:
Base-Base interactions energy: -124.034
where: short stacking energy: -54.638
Base-Backbone interact. energy: -0.098
local terms energy: -70.953123
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -157.308550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.308550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.308550 (E_RNA)
where:
Base-Base interactions energy: -92.807
where: short stacking energy: -53.618
Base-Backbone interact. energy: -0.099
local terms energy: -64.403117
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -9.497
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: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -176.706354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.706354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.706354 (E_RNA)
where:
Base-Base interactions energy: -118.792
where: short stacking energy: -58.934
Base-Backbone interact. energy: -0.483
local terms energy: -57.431632
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -10.496
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: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -149.852348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.852348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.852348 (E_RNA)
where:
Base-Base interactions energy: -82.594
where: short stacking energy: -43.610
Base-Backbone interact. energy: -1.170
local terms energy: -66.088008
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -88.247876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.247876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.247876 (E_RNA)
where:
Base-Base interactions energy: -41.441
where: short stacking energy: -36.611
Base-Backbone interact. energy: -0.289
local terms energy: -46.517790
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -108.240089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.240089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.240089 (E_RNA)
where:
Base-Base interactions energy: -44.649
where: short stacking energy: -44.649
Base-Backbone interact. energy: -0.067
local terms energy: -63.524535
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -9.395
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: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -86.776546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.776546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.776546 (E_RNA)
where:
Base-Base interactions energy: -28.906
where: short stacking energy: -28.648
Base-Backbone interact. energy: -0.000
local terms energy: -57.869784
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -11.508
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: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -91.647038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.647038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.647038 (E_RNA)
where:
Base-Base interactions energy: -43.336
where: short stacking energy: -40.919
Base-Backbone interact. energy: -0.146
local terms energy: -48.165015
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -213.512269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.512269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.512269 (E_RNA)
where:
Base-Base interactions energy: -138.059
where: short stacking energy: -67.042
Base-Backbone interact. energy: -0.892
local terms energy: -74.560882
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -21.304
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: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -201.535492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.535492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.535492 (E_RNA)
where:
Base-Base interactions energy: -135.556
where: short stacking energy: -50.816
Base-Backbone interact. energy: -0.018
local terms energy: -65.961513
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -185.142161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.142161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.142161 (E_RNA)
where:
Base-Base interactions energy: -124.608
where: short stacking energy: -59.778
Base-Backbone interact. energy: -0.004
local terms energy: -60.530482
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -14.289
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: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -160.804430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.804430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.804430 (E_RNA)
where:
Base-Base interactions energy: -94.926
where: short stacking energy: -49.323
Base-Backbone interact. energy: 0.610
local terms energy: -66.487639
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -8.840
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: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -144.166688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.166688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.166688 (E_RNA)
where:
Base-Base interactions energy: -87.221
where: short stacking energy: -40.554
Base-Backbone interact. energy: -0.104
local terms energy: -56.841552
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -6.864
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: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -151.303372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.303372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.303372 (E_RNA)
where:
Base-Base interactions energy: -86.007
where: short stacking energy: -43.077
Base-Backbone interact. energy: -0.322
local terms energy: -64.974523
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -85.815637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.815637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.815637 (E_RNA)
where:
Base-Base interactions energy: -26.371
where: short stacking energy: -24.448
Base-Backbone interact. energy: -0.639
local terms energy: -58.805318
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -97.127444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.127444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.127444 (E_RNA)
where:
Base-Base interactions energy: -37.224
where: short stacking energy: -28.764
Base-Backbone interact. energy: -0.140
local terms energy: -59.763448
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -9.902
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: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -94.143008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.143008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.143008 (E_RNA)
where:
Base-Base interactions energy: -44.006
where: short stacking energy: -30.169
Base-Backbone interact. energy: -0.161
local terms energy: -49.976243
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -74.846741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.846741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.846741 (E_RNA)
where:
Base-Base interactions energy: -24.247
where: short stacking energy: -24.247
Base-Backbone interact. energy: 0.983
local terms energy: -51.583076
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -10.179
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: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -222.914174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.914174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.914174 (E_RNA)
where:
Base-Base interactions energy: -147.420
where: short stacking energy: -67.192
Base-Backbone interact. energy: -0.750
local terms energy: -74.744441
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -20.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -192.713502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.713502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.713502 (E_RNA)
where:
Base-Base interactions energy: -120.447
where: short stacking energy: -59.101
Base-Backbone interact. energy: -0.236
local terms energy: -72.029945
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -172.929906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.929906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.929906 (E_RNA)
where:
Base-Base interactions energy: -102.529
where: short stacking energy: -55.916
Base-Backbone interact. energy: -0.421
local terms energy: -69.980432
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -183.236347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.236347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.236347 (E_RNA)
where:
Base-Base interactions energy: -117.746
where: short stacking energy: -53.692
Base-Backbone interact. energy: -0.138
local terms energy: -65.352782
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -139.871934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.871934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.871934 (E_RNA)
where:
Base-Base interactions energy: -81.210
where: short stacking energy: -40.711
Base-Backbone interact. energy: -0.416
local terms energy: -58.246837
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -162.725319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.725319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.725319 (E_RNA)
where:
Base-Base interactions energy: -110.070
where: short stacking energy: -37.849
Base-Backbone interact. energy: -0.473
local terms energy: -52.181703
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -6.593
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: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -92.170252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.170252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.170252 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -35.529
Base-Backbone interact. energy: -0.566
local terms energy: -53.465326
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -88.970977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.970977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.970977 (E_RNA)
where:
Base-Base interactions energy: -45.285
where: short stacking energy: -33.589
Base-Backbone interact. energy: 0.063
local terms energy: -43.749797
where:
bonds (distance) C4'-P energy: -6.879
bonds (distance) P-C4' energy: -10.047
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -85.378502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.378502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.378502 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -31.750
Base-Backbone interact. energy: -1.583
local terms energy: -44.258235
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -3.332
tors. eta vs tors. theta energy: -2.246
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: 208
Temperature: 1.350000
Total energy: -80.531192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.531192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.531192 (E_RNA)
where:
Base-Base interactions energy: -41.458
where: short stacking energy: -25.329
Base-Backbone interact. energy: -0.077
local terms energy: -38.996542
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -0.930
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -225.654431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.654431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.654431 (E_RNA)
where:
Base-Base interactions energy: -157.048
where: short stacking energy: -62.725
Base-Backbone interact. energy: -0.274
local terms energy: -68.331809
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -189.648821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.648821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.648821 (E_RNA)
where:
Base-Base interactions energy: -122.908
where: short stacking energy: -53.247
Base-Backbone interact. energy: -0.010
local terms energy: -66.730620
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -12.789
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: 209
Temperature: 1.000000
Total energy: -191.548833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.548833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.548833 (E_RNA)
where:
Base-Base interactions energy: -116.102
where: short stacking energy: -62.019
Base-Backbone interact. energy: 2.225
local terms energy: -77.670994
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -165.503112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.503112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.503112 (E_RNA)
where:
Base-Base interactions energy: -102.053
where: short stacking energy: -43.395
Base-Backbone interact. energy: -0.121
local terms energy: -63.328770
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -176.115369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.115369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.115369 (E_RNA)
where:
Base-Base interactions energy: -110.985
where: short stacking energy: -56.084
Base-Backbone interact. energy: -0.422
local terms energy: -64.708718
where:
bonds (distance) C4'-P energy: -7.269
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -18.997
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: 209
Temperature: 1.150000
Total energy: -156.899873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.899873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.899873 (E_RNA)
where:
Base-Base interactions energy: -102.558
where: short stacking energy: -52.703
Base-Backbone interact. energy: -0.491
local terms energy: -53.851013
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -103.477017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.477017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.477017 (E_RNA)
where:
Base-Base interactions energy: -44.701
where: short stacking energy: -41.762
Base-Backbone interact. energy: -0.203
local terms energy: -58.573232
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -98.390693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.390693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.390693 (E_RNA)
where:
Base-Base interactions energy: -45.077
where: short stacking energy: -37.649
Base-Backbone interact. energy: -0.001
local terms energy: -53.313526
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -76.657826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.657826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.657826 (E_RNA)
where:
Base-Base interactions energy: -24.530
where: short stacking energy: -24.530
Base-Backbone interact. energy: -0.122
local terms energy: -52.005779
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -75.458991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.458991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.458991 (E_RNA)
where:
Base-Base interactions energy: -31.590
where: short stacking energy: -26.216
Base-Backbone interact. energy: 0.281
local terms energy: -44.150683
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -211.236586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.236586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.236586 (E_RNA)
where:
Base-Base interactions energy: -137.525
where: short stacking energy: -60.144
Base-Backbone interact. energy: -0.192
local terms energy: -73.519821
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -189.177671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.177671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.177671 (E_RNA)
where:
Base-Base interactions energy: -115.540
where: short stacking energy: -48.781
Base-Backbone interact. energy: -0.270
local terms energy: -73.368050
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -15.412
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: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -174.084811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.084811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.084811 (E_RNA)
where:
Base-Base interactions energy: -111.306
where: short stacking energy: -42.994
Base-Backbone interact. energy: -0.866
local terms energy: -61.912481
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -177.268307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.268307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.268307 (E_RNA)
where:
Base-Base interactions energy: -116.326
where: short stacking energy: -57.900
Base-Backbone interact. energy: -0.019
local terms energy: -60.923020
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -10.328
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: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -155.902185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.902185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.902185 (E_RNA)
where:
Base-Base interactions energy: -98.416
where: short stacking energy: -48.954
Base-Backbone interact. energy: -0.074
local terms energy: -57.412021
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -138.699034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.699034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.699034 (E_RNA)
where:
Base-Base interactions energy: -84.826
where: short stacking energy: -44.872
Base-Backbone interact. energy: -0.085
local terms energy: -53.787293
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -94.471278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.471278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.471278 (E_RNA)
where:
Base-Base interactions energy: -34.168
where: short stacking energy: -30.004
Base-Backbone interact. energy: -0.034
local terms energy: -60.269820
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -87.483452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.483452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.483452 (E_RNA)
where:
Base-Base interactions energy: -34.939
where: short stacking energy: -21.317
Base-Backbone interact. energy: -1.474
local terms energy: -51.071287
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -85.181185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.181185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.181185 (E_RNA)
where:
Base-Base interactions energy: -36.814
where: short stacking energy: -30.298
Base-Backbone interact. energy: -0.261
local terms energy: -48.105356
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -1.621
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: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -91.276081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.276081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.276081 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -23.433
Base-Backbone interact. energy: 0.208
local terms energy: -53.756786
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -7.262
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -6.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -209.331588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.331588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.331588 (E_RNA)
where:
Base-Base interactions energy: -143.713
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.556
local terms energy: -65.062118
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -191.985947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.985947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.985947 (E_RNA)
where:
Base-Base interactions energy: -121.096
where: short stacking energy: -63.395
Base-Backbone interact. energy: -0.651
local terms energy: -70.238581
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -17.609
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: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -173.101665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.101665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.101665 (E_RNA)
where:
Base-Base interactions energy: -109.439
where: short stacking energy: -59.833
Base-Backbone interact. energy: -0.121
local terms energy: -63.542559
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -170.278438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.278438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.278438 (E_RNA)
where:
Base-Base interactions energy: -100.526
where: short stacking energy: -48.991
Base-Backbone interact. energy: -0.131
local terms energy: -69.621292
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -152.865704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.865704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.865704 (E_RNA)
where:
Base-Base interactions energy: -90.456
where: short stacking energy: -41.444
Base-Backbone interact. energy: -0.304
local terms energy: -62.106072
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -148.917678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.917678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.917678 (E_RNA)
where:
Base-Base interactions energy: -89.595
where: short stacking energy: -47.938
Base-Backbone interact. energy: -0.194
local terms energy: -59.127983
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -4.447
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: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -98.487202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.487202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.487202 (E_RNA)
where:
Base-Base interactions energy: -40.996
where: short stacking energy: -33.582
Base-Backbone interact. energy: 0.322
local terms energy: -57.813285
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -10.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -89.142706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.142706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.142706 (E_RNA)
where:
Base-Base interactions energy: -35.450
where: short stacking energy: -32.096
Base-Backbone interact. energy: -1.032
local terms energy: -52.660205
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -78.548947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.548947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.548947 (E_RNA)
where:
Base-Base interactions energy: -27.802
where: short stacking energy: -24.631
Base-Backbone interact. energy: -0.107
local terms energy: -50.639248
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -6.007
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: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -84.793171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.793171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.793171 (E_RNA)
where:
Base-Base interactions energy: -34.757
where: short stacking energy: -33.805
Base-Backbone interact. energy: -0.611
local terms energy: -49.425337
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -8.731
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -215.378193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.378193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.378193 (E_RNA)
where:
Base-Base interactions energy: -144.467
where: short stacking energy: -56.910
Base-Backbone interact. energy: -0.060
local terms energy: -70.851080
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -181.138096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.138096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.138096 (E_RNA)
where:
Base-Base interactions energy: -119.595
where: short stacking energy: -45.033
Base-Backbone interact. energy: -1.258
local terms energy: -60.285511
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.354
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: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -181.802632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.802632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.802632 (E_RNA)
where:
Base-Base interactions energy: -110.720
where: short stacking energy: -64.832
Base-Backbone interact. energy: -0.996
local terms energy: -70.086625
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -152.589240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.589240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.589240 (E_RNA)
where:
Base-Base interactions energy: -93.457
where: short stacking energy: -45.662
Base-Backbone interact. energy: -0.194
local terms energy: -58.938018
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -8.487
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: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -177.235534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.235534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.235534 (E_RNA)
where:
Base-Base interactions energy: -108.354
where: short stacking energy: -56.268
Base-Backbone interact. energy: 0.075
local terms energy: -68.955990
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -138.785597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.785597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.785597 (E_RNA)
where:
Base-Base interactions energy: -82.214
where: short stacking energy: -33.202
Base-Backbone interact. energy: -0.155
local terms energy: -56.416623
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -91.850907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.850907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.850907 (E_RNA)
where:
Base-Base interactions energy: -34.610
where: short stacking energy: -26.435
Base-Backbone interact. energy: 0.443
local terms energy: -57.683800
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -85.653445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.653445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.653445 (E_RNA)
where:
Base-Base interactions energy: -44.633
where: short stacking energy: -24.255
Base-Backbone interact. energy: -0.417
local terms energy: -40.603672
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -134.929830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.929830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.929830 (E_RNA)
where:
Base-Base interactions energy: -90.540
where: short stacking energy: -46.698
Base-Backbone interact. energy: -0.112
local terms energy: -44.277574
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -3.299
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -107.914978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.914978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.914978 (E_RNA)
where:
Base-Base interactions energy: -50.431
where: short stacking energy: -40.556
Base-Backbone interact. energy: -0.172
local terms energy: -57.311545
where:
bonds (distance) C4'-P energy: -7.048
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -10.603
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: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -226.997867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.997867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.997867 (E_RNA)
where:
Base-Base interactions energy: -149.303
where: short stacking energy: -61.338
Base-Backbone interact. energy: 0.199
local terms energy: -77.894512
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -19.370
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: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -194.191442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.191442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.191442 (E_RNA)
where:
Base-Base interactions energy: -118.013
where: short stacking energy: -50.530
Base-Backbone interact. energy: -0.027
local terms energy: -76.151470
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -13.629
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: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -184.145609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.145609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.145609 (E_RNA)
where:
Base-Base interactions energy: -118.047
where: short stacking energy: -58.394
Base-Backbone interact. energy: -0.002
local terms energy: -66.096344
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -15.190
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: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -170.002998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.002998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.002998 (E_RNA)
where:
Base-Base interactions energy: -114.707
where: short stacking energy: -46.707
Base-Backbone interact. energy: -0.166
local terms energy: -55.130841
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -6.388
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -12.348
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: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -149.014931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.014931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.014931 (E_RNA)
where:
Base-Base interactions energy: -84.027
where: short stacking energy: -43.559
Base-Backbone interact. energy: -0.033
local terms energy: -64.954734
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -157.359867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.359867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.359867 (E_RNA)
where:
Base-Base interactions energy: -97.841
where: short stacking energy: -52.036
Base-Backbone interact. energy: 0.650
local terms energy: -60.169121
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -137.686335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.686335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.686335 (E_RNA)
where:
Base-Base interactions energy: -82.306
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.000
local terms energy: -55.380442
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -2.927
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -115.700938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.700938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.700938 (E_RNA)
where:
Base-Base interactions energy: -61.502
where: short stacking energy: -26.788
Base-Backbone interact. energy: -0.368
local terms energy: -53.831525
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -77.805211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.805211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.805211 (E_RNA)
where:
Base-Base interactions energy: -26.573
where: short stacking energy: -26.573
Base-Backbone interact. energy: -0.089
local terms energy: -51.142958
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.982
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: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -68.477267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.477267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.477267 (E_RNA)
where:
Base-Base interactions energy: -28.997
where: short stacking energy: -26.102
Base-Backbone interact. energy: 1.725
local terms energy: -41.204809
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -8.530
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: -0.281
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: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -208.423218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.423218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.423218 (E_RNA)
where:
Base-Base interactions energy: -138.083
where: short stacking energy: -53.301
Base-Backbone interact. energy: -0.799
local terms energy: -69.541057
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -199.284238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.284238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.284238 (E_RNA)
where:
Base-Base interactions energy: -131.152
where: short stacking energy: -62.786
Base-Backbone interact. energy: -0.280
local terms energy: -67.852142
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -175.949145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.949145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.949145 (E_RNA)
where:
Base-Base interactions energy: -113.900
where: short stacking energy: -56.416
Base-Backbone interact. energy: -0.674
local terms energy: -61.374637
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -181.010490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.010490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.010490 (E_RNA)
where:
Base-Base interactions energy: -117.554
where: short stacking energy: -48.866
Base-Backbone interact. energy: -0.009
local terms energy: -63.447621
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -144.786114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.786114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.786114 (E_RNA)
where:
Base-Base interactions energy: -87.409
where: short stacking energy: -47.864
Base-Backbone interact. energy: -0.100
local terms energy: -57.276878
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -3.320
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -94.950626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.950626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.950626 (E_RNA)
where:
Base-Base interactions energy: -41.324
where: short stacking energy: -37.227
Base-Backbone interact. energy: -1.185
local terms energy: -52.441389
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -135.815578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.815578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.815578 (E_RNA)
where:
Base-Base interactions energy: -81.014
where: short stacking energy: -36.739
Base-Backbone interact. energy: -0.096
local terms energy: -54.705782
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -147.976616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.976616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.976616 (E_RNA)
where:
Base-Base interactions energy: -87.293
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.051
local terms energy: -60.632962
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -87.724194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.724194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.724194 (E_RNA)
where:
Base-Base interactions energy: -35.029
where: short stacking energy: -29.628
Base-Backbone interact. energy: -0.232
local terms energy: -52.462814
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -78.283701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.283701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.283701 (E_RNA)
where:
Base-Base interactions energy: -28.702
where: short stacking energy: -27.344
Base-Backbone interact. energy: -0.236
local terms energy: -49.345903
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -220.446263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.446263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.446263 (E_RNA)
where:
Base-Base interactions energy: -146.063
where: short stacking energy: -58.113
Base-Backbone interact. energy: -0.004
local terms energy: -74.378541
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -19.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -199.817189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.817189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.817189 (E_RNA)
where:
Base-Base interactions energy: -126.346
where: short stacking energy: -57.808
Base-Backbone interact. energy: -0.678
local terms energy: -72.793282
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -192.796891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.796891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.796891 (E_RNA)
where:
Base-Base interactions energy: -125.887
where: short stacking energy: -65.827
Base-Backbone interact. energy: -0.209
local terms energy: -66.701353
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -12.093
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: 4, replica: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -165.785253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.785253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.785253 (E_RNA)
where:
Base-Base interactions energy: -109.193
where: short stacking energy: -47.942
Base-Backbone interact. energy: 0.144
local terms energy: -56.736045
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -4.681
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: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -164.467150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.467150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.467150 (E_RNA)
where:
Base-Base interactions energy: -104.658
where: short stacking energy: -53.904
Base-Backbone interact. energy: 0.961
local terms energy: -60.769760
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -12.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -137.623949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.623949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.623949 (E_RNA)
where:
Base-Base interactions energy: -80.275
where: short stacking energy: -41.807
Base-Backbone interact. energy: -0.101
local terms energy: -57.247507
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -94.765966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.765966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.765966 (E_RNA)
where:
Base-Base interactions energy: -35.471
where: short stacking energy: -34.025
Base-Backbone interact. energy: 0.103
local terms energy: -59.397928
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -143.558107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.558107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.558107 (E_RNA)
where:
Base-Base interactions energy: -86.933
where: short stacking energy: -49.717
Base-Backbone interact. energy: -0.140
local terms energy: -56.484438
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -9.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -86.807636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.807636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.807636 (E_RNA)
where:
Base-Base interactions energy: -33.380
where: short stacking energy: -26.099
Base-Backbone interact. energy: -0.302
local terms energy: -53.126213
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -8.068
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: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -84.279233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.279233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.279233 (E_RNA)
where:
Base-Base interactions energy: -38.253
where: short stacking energy: -37.005
Base-Backbone interact. energy: -0.102
local terms energy: -45.924983
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -6.032
flat angles P-C4'-P energy: -9.486
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: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -216.208693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.208693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.208693 (E_RNA)
where:
Base-Base interactions energy: -142.630
where: short stacking energy: -63.489
Base-Backbone interact. energy: -0.016
local terms energy: -73.562667
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -207.645506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.645506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.645506 (E_RNA)
where:
Base-Base interactions energy: -141.920
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.113
local terms energy: -65.612453
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -16.663
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: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -197.959482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.959482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.959482 (E_RNA)
where:
Base-Base interactions energy: -124.969
where: short stacking energy: -68.872
Base-Backbone interact. energy: -0.043
local terms energy: -72.948276
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -18.163
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: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -179.658626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.658626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.658626 (E_RNA)
where:
Base-Base interactions energy: -121.757
where: short stacking energy: -65.471
Base-Backbone interact. energy: -0.221
local terms energy: -57.680422
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -161.904114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.904114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.904114 (E_RNA)
where:
Base-Base interactions energy: -101.356
where: short stacking energy: -55.369
Base-Backbone interact. energy: -0.012
local terms energy: -60.535825
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -13.743
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: 216
Temperature: 1.150000
Total energy: -155.725766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.725766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.725766 (E_RNA)
where:
Base-Base interactions energy: -94.772
where: short stacking energy: -49.888
Base-Backbone interact. energy: -0.010
local terms energy: -60.943344
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -12.687
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: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -132.067187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.067187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.067187 (E_RNA)
where:
Base-Base interactions energy: -81.705
where: short stacking energy: -41.535
Base-Backbone interact. energy: 0.891
local terms energy: -51.252703
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -90.246579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.246579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.246579 (E_RNA)
where:
Base-Base interactions energy: -42.369
where: short stacking energy: -23.051
Base-Backbone interact. energy: -0.397
local terms energy: -47.480426
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: 2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -93.213328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.213328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.213328 (E_RNA)
where:
Base-Base interactions energy: -39.549
where: short stacking energy: -38.736
Base-Backbone interact. energy: -0.236
local terms energy: -53.428312
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -6.709
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: 216
Temperature: 1.350000
Total energy: -78.410803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.410803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.410803 (E_RNA)
where:
Base-Base interactions energy: -30.814
where: short stacking energy: -29.812
Base-Backbone interact. energy: -0.007
local terms energy: -47.589616
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -5.957
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: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -211.577607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.577607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.577607 (E_RNA)
where:
Base-Base interactions energy: -145.106
where: short stacking energy: -51.927
Base-Backbone interact. energy: -0.067
local terms energy: -66.404646
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -205.898250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.898250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.898250 (E_RNA)
where:
Base-Base interactions energy: -142.158
where: short stacking energy: -57.262
Base-Backbone interact. energy: 1.459
local terms energy: -65.199175
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -202.295641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.295641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.295641 (E_RNA)
where:
Base-Base interactions energy: -130.207
where: short stacking energy: -60.815
Base-Backbone interact. energy: -0.001
local terms energy: -72.087871
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -168.101699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.101699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.101699 (E_RNA)
where:
Base-Base interactions energy: -103.825
where: short stacking energy: -55.782
Base-Backbone interact. energy: -0.015
local terms energy: -64.261459
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -9.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -152.152730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.152730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.152730 (E_RNA)
where:
Base-Base interactions energy: -89.790
where: short stacking energy: -42.288
Base-Backbone interact. energy: -0.275
local terms energy: -62.087988
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -154.424276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.424276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.424276 (E_RNA)
where:
Base-Base interactions energy: -94.118
where: short stacking energy: -47.898
Base-Backbone interact. energy: -0.018
local terms energy: -60.288093
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -143.858022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.858022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.858022 (E_RNA)
where:
Base-Base interactions energy: -84.274
where: short stacking energy: -33.362
Base-Backbone interact. energy: -0.239
local terms energy: -59.344879
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -83.550883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.550883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.550883 (E_RNA)
where:
Base-Base interactions energy: -31.154
where: short stacking energy: -31.154
Base-Backbone interact. energy: -0.008
local terms energy: -52.388872
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -6.595
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: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -91.662538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.662538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.662538 (E_RNA)
where:
Base-Base interactions energy: -33.449
where: short stacking energy: -33.449
Base-Backbone interact. energy: -0.126
local terms energy: -58.087666
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -9.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -93.051163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.051163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.051163 (E_RNA)
where:
Base-Base interactions energy: -36.419
where: short stacking energy: -32.204
Base-Backbone interact. energy: -0.013
local terms energy: -56.619570
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -7.097
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: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -217.575985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.575985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.575985 (E_RNA)
where:
Base-Base interactions energy: -144.038
where: short stacking energy: -61.614
Base-Backbone interact. energy: -0.026
local terms energy: -73.512256
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -202.211288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.211288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.211288 (E_RNA)
where:
Base-Base interactions energy: -130.877
where: short stacking energy: -62.149
Base-Backbone interact. energy: -0.391
local terms energy: -70.943458
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -197.295781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.295781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.295781 (E_RNA)
where:
Base-Base interactions energy: -123.270
where: short stacking energy: -55.123
Base-Backbone interact. energy: -0.498
local terms energy: -73.527662
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -162.342531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.342531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.342531 (E_RNA)
where:
Base-Base interactions energy: -96.097
where: short stacking energy: -39.386
Base-Backbone interact. energy: -0.690
local terms energy: -65.555541
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -160.948311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.948311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.948311 (E_RNA)
where:
Base-Base interactions energy: -95.997
where: short stacking energy: -43.124
Base-Backbone interact. energy: -0.216
local terms energy: -64.735886
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -182.077275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.077275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.077275 (E_RNA)
where:
Base-Base interactions energy: -115.596
where: short stacking energy: -54.371
Base-Backbone interact. energy: -0.009
local terms energy: -66.472590
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -163.357184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.357184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.357184 (E_RNA)
where:
Base-Base interactions energy: -103.003
where: short stacking energy: -57.631
Base-Backbone interact. energy: -0.521
local terms energy: -59.833246
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -90.571948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.571948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.571948 (E_RNA)
where:
Base-Base interactions energy: -41.264
where: short stacking energy: -31.632
Base-Backbone interact. energy: -0.005
local terms energy: -49.303097
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -79.248445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.248445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.248445 (E_RNA)
where:
Base-Base interactions energy: -28.242
where: short stacking energy: -18.254
Base-Backbone interact. energy: 0.416
local terms energy: -51.422870
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -10.700
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: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -73.957873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.957873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.957873 (E_RNA)
where:
Base-Base interactions energy: -31.598
where: short stacking energy: -28.377
Base-Backbone interact. energy: 0.279
local terms energy: -42.638691
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: 3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -212.796426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.796426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.796426 (E_RNA)
where:
Base-Base interactions energy: -141.829
where: short stacking energy: -60.185
Base-Backbone interact. energy: -0.058
local terms energy: -70.909683
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -19.822
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -195.350288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.350288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.350288 (E_RNA)
where:
Base-Base interactions energy: -122.371
where: short stacking energy: -51.284
Base-Backbone interact. energy: -0.128
local terms energy: -72.850682
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -13.309
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: 219
Temperature: 1.000000
Total energy: -181.793331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.793331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.793331 (E_RNA)
where:
Base-Base interactions energy: -111.502
where: short stacking energy: -53.266
Base-Backbone interact. energy: -0.093
local terms energy: -70.198437
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -179.780222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.780222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.780222 (E_RNA)
where:
Base-Base interactions energy: -112.519
where: short stacking energy: -53.986
Base-Backbone interact. energy: -0.004
local terms energy: -67.257181
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -152.397477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.397477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.397477 (E_RNA)
where:
Base-Base interactions energy: -88.853
where: short stacking energy: -41.158
Base-Backbone interact. energy: -0.827
local terms energy: -62.717413
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -9.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -109.306607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.306607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.306607 (E_RNA)
where:
Base-Base interactions energy: -49.168
where: short stacking energy: -49.168
Base-Backbone interact. energy: 1.322
local terms energy: -61.461395
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -5.996
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: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -136.610929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.610929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.610929 (E_RNA)
where:
Base-Base interactions energy: -87.434
where: short stacking energy: -42.743
Base-Backbone interact. energy: -2.391
local terms energy: -46.785941
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -93.890422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.890422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.890422 (E_RNA)
where:
Base-Base interactions energy: -34.201
where: short stacking energy: -31.150
Base-Backbone interact. energy: -0.184
local terms energy: -59.505095
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -11.128
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: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -75.892343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.892343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.892343 (E_RNA)
where:
Base-Base interactions energy: -35.330
where: short stacking energy: -31.017
Base-Backbone interact. energy: -0.124
local terms energy: -40.437985
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -5.365
flat angles P-C4'-P energy: -4.508
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: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -78.270091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.270091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.270091 (E_RNA)
where:
Base-Base interactions energy: -23.949
where: short stacking energy: -23.949
Base-Backbone interact. energy: -0.003
local terms energy: -54.318358
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -7.930
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -8.167
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: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -209.181402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.181402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.181402 (E_RNA)
where:
Base-Base interactions energy: -139.138
where: short stacking energy: -60.699
Base-Backbone interact. energy: -0.004
local terms energy: -70.039959
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -194.955668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.955668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.955668 (E_RNA)
where:
Base-Base interactions energy: -123.357
where: short stacking energy: -63.060
Base-Backbone interact. energy: 0.794
local terms energy: -72.393134
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -12.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -160.669353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.669353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.669353 (E_RNA)
where:
Base-Base interactions energy: -102.080
where: short stacking energy: -35.856
Base-Backbone interact. energy: -0.892
local terms energy: -57.697618
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -185.043949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.043949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.043949 (E_RNA)
where:
Base-Base interactions energy: -123.871
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.831
local terms energy: -60.341854
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -7.960
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: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -160.273338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.273338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.273338 (E_RNA)
where:
Base-Base interactions energy: -100.584
where: short stacking energy: -46.557
Base-Backbone interact. energy: -0.021
local terms energy: -59.668098
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -10.456
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: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -100.642715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.642715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.642715 (E_RNA)
where:
Base-Base interactions energy: -37.788
where: short stacking energy: -37.788
Base-Backbone interact. energy: 0.421
local terms energy: -63.276027
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -9.928
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: 220
Temperature: 1.200000
Total energy: -142.556482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.556482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.556482 (E_RNA)
where:
Base-Base interactions energy: -83.639
where: short stacking energy: -36.206
Base-Backbone interact. energy: -0.356
local terms energy: -58.560820
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -6.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -91.308231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.308231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.308231 (E_RNA)
where:
Base-Base interactions energy: -36.506
where: short stacking energy: -22.291
Base-Backbone interact. energy: -1.194
local terms energy: -53.608312
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: 0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -74.728774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.728774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.728774 (E_RNA)
where:
Base-Base interactions energy: -35.967
where: short stacking energy: -19.079
Base-Backbone interact. energy: 0.555
local terms energy: -39.316430
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: 1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -74.201943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.201943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.201943 (E_RNA)
where:
Base-Base interactions energy: -28.177
where: short stacking energy: -25.169
Base-Backbone interact. energy: -0.065
local terms energy: -45.959940
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -8.526
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -217.420329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.420329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.420329 (E_RNA)
where:
Base-Base interactions energy: -141.852
where: short stacking energy: -61.556
Base-Backbone interact. energy: -0.360
local terms energy: -75.207722
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -21.566
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: 221
Temperature: 0.950000
Total energy: -200.923627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.923627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.923627 (E_RNA)
where:
Base-Base interactions energy: -129.628
where: short stacking energy: -61.307
Base-Backbone interact. energy: -0.060
local terms energy: -71.235635
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -183.409428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.409428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.409428 (E_RNA)
where:
Base-Base interactions energy: -110.605
where: short stacking energy: -62.452
Base-Backbone interact. energy: -0.321
local terms energy: -72.483393
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -16.115
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: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -154.478001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.478001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.478001 (E_RNA)
where:
Base-Base interactions energy: -92.930
where: short stacking energy: -49.807
Base-Backbone interact. energy: -0.343
local terms energy: -61.205468
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -192.663017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.663017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.663017 (E_RNA)
where:
Base-Base interactions energy: -121.084
where: short stacking energy: -76.394
Base-Backbone interact. energy: -0.040
local terms energy: -71.538965
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -148.179421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.179421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.179421 (E_RNA)
where:
Base-Base interactions energy: -90.642
where: short stacking energy: -40.599
Base-Backbone interact. energy: -0.099
local terms energy: -57.437703
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -109.159745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.159745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.159745 (E_RNA)
where:
Base-Base interactions energy: -47.082
where: short stacking energy: -47.082
Base-Backbone interact. energy: -0.197
local terms energy: -61.880675
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -11.096
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: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -109.851549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.851549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.851549 (E_RNA)
where:
Base-Base interactions energy: -60.662
where: short stacking energy: -32.878
Base-Backbone interact. energy: -0.110
local terms energy: -49.079437
where:
bonds (distance) C4'-P energy: -6.083
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -1.796
tors. eta vs tors. theta energy: -7.894
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: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -93.083185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.083185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.083185 (E_RNA)
where:
Base-Base interactions energy: -47.589
where: short stacking energy: -41.152
Base-Backbone interact. energy: -0.048
local terms energy: -45.445851
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -4.252
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: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -81.474208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.474208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.474208 (E_RNA)
where:
Base-Base interactions energy: -34.159
where: short stacking energy: -33.729
Base-Backbone interact. energy: -0.101
local terms energy: -47.214152
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -8.074
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -218.397996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.397996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.397996 (E_RNA)
where:
Base-Base interactions energy: -145.715
where: short stacking energy: -62.557
Base-Backbone interact. energy: -0.214
local terms energy: -72.469699
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -21.843
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: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -186.867073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.867073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.867073 (E_RNA)
where:
Base-Base interactions energy: -124.685
where: short stacking energy: -61.013
Base-Backbone interact. energy: -0.175
local terms energy: -62.006953
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -10.202
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: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -194.546531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.546531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.546531 (E_RNA)
where:
Base-Base interactions energy: -120.667
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.069
local terms energy: -73.809931
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -173.238714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.238714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.238714 (E_RNA)
where:
Base-Base interactions energy: -107.452
where: short stacking energy: -65.944
Base-Backbone interact. energy: -0.189
local terms energy: -65.598476
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -7.200
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: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -169.232723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.232723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.232723 (E_RNA)
where:
Base-Base interactions energy: -103.512
where: short stacking energy: -51.638
Base-Backbone interact. energy: -0.014
local terms energy: -65.707019
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -163.147416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.147416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.147416 (E_RNA)
where:
Base-Base interactions energy: -119.929
where: short stacking energy: -54.918
Base-Backbone interact. energy: 0.669
local terms energy: -43.888374
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -6.436
flat angles P-C4'-P energy: -5.704
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: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -111.582550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.582550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.582550 (E_RNA)
where:
Base-Base interactions energy: -60.214
where: short stacking energy: -38.055
Base-Backbone interact. energy: -1.026
local terms energy: -50.342346
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -8.467
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: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -92.299696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.299696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.299696 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -33.791
Base-Backbone interact. energy: -0.030
local terms energy: -58.478944
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -2.704
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: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -95.091817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.091817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.091817 (E_RNA)
where:
Base-Base interactions energy: -50.393
where: short stacking energy: -34.562
Base-Backbone interact. energy: -0.161
local terms energy: -44.537141
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -3.148
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -86.550290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.550290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.550290 (E_RNA)
where:
Base-Base interactions energy: -33.674
where: short stacking energy: -32.040
Base-Backbone interact. energy: -0.270
local terms energy: -52.607104
where:
bonds (distance) C4'-P energy: -7.246
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -211.784876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.784876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.784876 (E_RNA)
where:
Base-Base interactions energy: -141.039
where: short stacking energy: -61.282
Base-Backbone interact. energy: -0.353
local terms energy: -70.392290
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -191.224794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.224794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.224794 (E_RNA)
where:
Base-Base interactions energy: -120.281
where: short stacking energy: -44.786
Base-Backbone interact. energy: -0.239
local terms energy: -70.704472
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -12.115
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: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -195.065690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.065690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.065690 (E_RNA)
where:
Base-Base interactions energy: -122.892
where: short stacking energy: -68.576
Base-Backbone interact. energy: -0.266
local terms energy: -71.908558
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -9.915
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: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -181.562422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.562422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.562422 (E_RNA)
where:
Base-Base interactions energy: -119.032
where: short stacking energy: -64.576
Base-Backbone interact. energy: -0.019
local terms energy: -62.511086
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -12.506
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: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -166.323647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.323647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.323647 (E_RNA)
where:
Base-Base interactions energy: -110.564
where: short stacking energy: -52.019
Base-Backbone interact. energy: -0.580
local terms energy: -55.180195
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -155.962468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.962468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.962468 (E_RNA)
where:
Base-Base interactions energy: -93.845
where: short stacking energy: -47.200
Base-Backbone interact. energy: -0.035
local terms energy: -62.082025
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -83.668333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.668333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.668333 (E_RNA)
where:
Base-Base interactions energy: -20.946
where: short stacking energy: -19.629
Base-Backbone interact. energy: -0.522
local terms energy: -62.201133
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -8.968
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: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -95.978503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.978503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.978503 (E_RNA)
where:
Base-Base interactions energy: -50.792
where: short stacking energy: -38.410
Base-Backbone interact. energy: 0.928
local terms energy: -46.113977
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -5.119
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: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -75.432569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.432569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.432569 (E_RNA)
where:
Base-Base interactions energy: -26.697
where: short stacking energy: -24.643
Base-Backbone interact. energy: -0.939
local terms energy: -47.796476
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -5.352
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -78.155444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.155444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.155444 (E_RNA)
where:
Base-Base interactions energy: -29.969
where: short stacking energy: -25.572
Base-Backbone interact. energy: 0.804
local terms energy: -48.990164
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -214.189814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.189814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.189814 (E_RNA)
where:
Base-Base interactions energy: -140.217
where: short stacking energy: -56.743
Base-Backbone interact. energy: -0.532
local terms energy: -73.440123
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -197.345595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.345595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.345595 (E_RNA)
where:
Base-Base interactions energy: -127.682
where: short stacking energy: -64.749
Base-Backbone interact. energy: -0.178
local terms energy: -69.485379
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -11.698
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: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -198.572598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.572598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.572598 (E_RNA)
where:
Base-Base interactions energy: -126.567
where: short stacking energy: -66.480
Base-Backbone interact. energy: -0.002
local terms energy: -72.003245
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -172.086520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.086520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.086520 (E_RNA)
where:
Base-Base interactions energy: -105.409
where: short stacking energy: -54.799
Base-Backbone interact. energy: -0.113
local terms energy: -66.565377
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -170.979004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.979004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.979004 (E_RNA)
where:
Base-Base interactions energy: -108.771
where: short stacking energy: -47.419
Base-Backbone interact. energy: -0.021
local terms energy: -62.186378
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -166.836702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.836702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.836702 (E_RNA)
where:
Base-Base interactions energy: -101.384
where: short stacking energy: -46.073
Base-Backbone interact. energy: -0.587
local terms energy: -64.865140
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -97.543042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.543042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.543042 (E_RNA)
where:
Base-Base interactions energy: -46.163
where: short stacking energy: -29.819
Base-Backbone interact. energy: -0.645
local terms energy: -50.735559
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -8.718
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: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -93.408303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.408303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.408303 (E_RNA)
where:
Base-Base interactions energy: -43.318
where: short stacking energy: -27.214
Base-Backbone interact. energy: 0.945
local terms energy: -51.035915
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -8.909
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -83.126628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.126628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.126628 (E_RNA)
where:
Base-Base interactions energy: -30.692
where: short stacking energy: -26.128
Base-Backbone interact. energy: -0.204
local terms energy: -52.230363
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: 0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -77.712932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.712932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.712932 (E_RNA)
where:
Base-Base interactions energy: -26.156
where: short stacking energy: -25.397
Base-Backbone interact. energy: -0.232
local terms energy: -51.324705
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -216.949295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.949295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.949295 (E_RNA)
where:
Base-Base interactions energy: -139.318
where: short stacking energy: -66.590
Base-Backbone interact. energy: -0.056
local terms energy: -77.576217
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -21.009
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: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -191.081858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.081858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.081858 (E_RNA)
where:
Base-Base interactions energy: -122.609
where: short stacking energy: -62.699
Base-Backbone interact. energy: -0.016
local terms energy: -68.457710
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -198.278702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.278702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.278702 (E_RNA)
where:
Base-Base interactions energy: -132.839
where: short stacking energy: -60.280
Base-Backbone interact. energy: -0.401
local terms energy: -65.038180
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -15.189
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: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -168.940198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.940198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.940198 (E_RNA)
where:
Base-Base interactions energy: -102.589
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.313
local terms energy: -66.037752
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -178.699177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.699177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.699177 (E_RNA)
where:
Base-Base interactions energy: -112.772
where: short stacking energy: -50.564
Base-Backbone interact. energy: -0.479
local terms energy: -65.448540
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -13.145
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: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -102.237649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.237649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.237649 (E_RNA)
where:
Base-Base interactions energy: -41.390
where: short stacking energy: -37.314
Base-Backbone interact. energy: 0.535
local terms energy: -61.382854
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -141.255136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.255136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.255136 (E_RNA)
where:
Base-Base interactions energy: -82.639
where: short stacking energy: -42.755
Base-Backbone interact. energy: -0.257
local terms energy: -58.359212
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -9.315
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: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -81.457408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.457408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.457408 (E_RNA)
where:
Base-Base interactions energy: -32.187
where: short stacking energy: -28.171
Base-Backbone interact. energy: -0.046
local terms energy: -49.224831
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -106.402696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.402696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.402696 (E_RNA)
where:
Base-Base interactions energy: -56.980
where: short stacking energy: -31.018
Base-Backbone interact. energy: -0.041
local terms energy: -49.381248
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -74.790721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.790721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.790721 (E_RNA)
where:
Base-Base interactions energy: -24.884
where: short stacking energy: -15.182
Base-Backbone interact. energy: -0.151
local terms energy: -49.755469
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: 0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -194.478219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.478219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.478219 (E_RNA)
where:
Base-Base interactions energy: -127.061
where: short stacking energy: -62.250
Base-Backbone interact. energy: -0.839
local terms energy: -66.578026
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -195.044929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.044929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.044929 (E_RNA)
where:
Base-Base interactions energy: -122.012
where: short stacking energy: -54.838
Base-Backbone interact. energy: -0.131
local terms energy: -72.901827
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -192.974432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.974432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.974432 (E_RNA)
where:
Base-Base interactions energy: -131.248
where: short stacking energy: -49.989
Base-Backbone interact. energy: -0.282
local terms energy: -61.443775
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -154.239435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.239435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.239435 (E_RNA)
where:
Base-Base interactions energy: -90.300
where: short stacking energy: -50.011
Base-Backbone interact. energy: -0.140
local terms energy: -63.798621
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -7.846
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: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -165.058937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.058937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.058937 (E_RNA)
where:
Base-Base interactions energy: -100.234
where: short stacking energy: -55.873
Base-Backbone interact. energy: -1.815
local terms energy: -63.010241
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -96.020419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.020419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.020419 (E_RNA)
where:
Base-Base interactions energy: -43.162
where: short stacking energy: -17.834
Base-Backbone interact. energy: -0.117
local terms energy: -52.741128
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.434
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: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -157.360856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.360856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.360856 (E_RNA)
where:
Base-Base interactions energy: -85.657
where: short stacking energy: -45.702
Base-Backbone interact. energy: -0.013
local terms energy: -71.690850
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -11.565
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: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -86.076239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.076239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.076239 (E_RNA)
where:
Base-Base interactions energy: -38.380
where: short stacking energy: -38.279
Base-Backbone interact. energy: 0.034
local terms energy: -47.730733
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -76.694949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.694949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.694949 (E_RNA)
where:
Base-Base interactions energy: -34.239
where: short stacking energy: -34.239
Base-Backbone interact. energy: -0.047
local terms energy: -42.409015
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -2.345
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -92.081686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.081686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.081686 (E_RNA)
where:
Base-Base interactions energy: -40.774
where: short stacking energy: -29.041
Base-Backbone interact. energy: -0.975
local terms energy: -50.333063
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -7.245
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -188.148027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.148027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.148027 (E_RNA)
where:
Base-Base interactions energy: -117.297
where: short stacking energy: -59.140
Base-Backbone interact. energy: -0.137
local terms energy: -70.714328
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -199.382987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.382987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.382987 (E_RNA)
where:
Base-Base interactions energy: -135.078
where: short stacking energy: -53.541
Base-Backbone interact. energy: -0.742
local terms energy: -63.562690
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -194.611783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.611783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.611783 (E_RNA)
where:
Base-Base interactions energy: -127.068
where: short stacking energy: -59.320
Base-Backbone interact. energy: -0.084
local terms energy: -67.460449
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -170.922901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.922901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.922901 (E_RNA)
where:
Base-Base interactions energy: -102.917
where: short stacking energy: -51.880
Base-Backbone interact. energy: -0.121
local terms energy: -67.884405
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -11.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -159.663473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.663473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.663473 (E_RNA)
where:
Base-Base interactions energy: -94.626
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.159
local terms energy: -64.878350
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -156.513190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.513190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.513190 (E_RNA)
where:
Base-Base interactions energy: -100.078
where: short stacking energy: -46.023
Base-Backbone interact. energy: -0.079
local terms energy: -56.356815
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -7.769
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: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -100.444182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.444182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.444182 (E_RNA)
where:
Base-Base interactions energy: -43.454
where: short stacking energy: -30.888
Base-Backbone interact. energy: -0.021
local terms energy: -56.968938
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -84.894557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.894557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.894557 (E_RNA)
where:
Base-Base interactions energy: -30.941
where: short stacking energy: -28.856
Base-Backbone interact. energy: -0.013
local terms energy: -53.940536
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -84.998982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.998982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.998982 (E_RNA)
where:
Base-Base interactions energy: -42.394
where: short stacking energy: -24.408
Base-Backbone interact. energy: 0.749
local terms energy: -43.354540
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -79.369981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.369981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.369981 (E_RNA)
where:
Base-Base interactions energy: -34.002
where: short stacking energy: -28.367
Base-Backbone interact. energy: -0.103
local terms energy: -45.264896
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -211.266787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.266787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.266787 (E_RNA)
where:
Base-Base interactions energy: -138.058
where: short stacking energy: -68.029
Base-Backbone interact. energy: -0.133
local terms energy: -73.075273
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -194.821910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.821910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.821910 (E_RNA)
where:
Base-Base interactions energy: -130.980
where: short stacking energy: -50.739
Base-Backbone interact. energy: -0.739
local terms energy: -63.103020
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.791
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: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -183.570433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.570433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.570433 (E_RNA)
where:
Base-Base interactions energy: -122.377
where: short stacking energy: -51.418
Base-Backbone interact. energy: -0.444
local terms energy: -60.750239
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -6.954
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: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -165.726010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.726010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.726010 (E_RNA)
where:
Base-Base interactions energy: -105.695
where: short stacking energy: -49.174
Base-Backbone interact. energy: -0.609
local terms energy: -59.422035
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -167.865273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.865273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.865273 (E_RNA)
where:
Base-Base interactions energy: -103.548
where: short stacking energy: -51.007
Base-Backbone interact. energy: -0.156
local terms energy: -64.160556
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -168.749855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.749855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.749855 (E_RNA)
where:
Base-Base interactions energy: -105.785
where: short stacking energy: -55.999
Base-Backbone interact. energy: -0.157
local terms energy: -62.808070
where:
bonds (distance) C4'-P energy: -9.289
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -95.998570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.998570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.998570 (E_RNA)
where:
Base-Base interactions energy: -48.124
where: short stacking energy: -41.515
Base-Backbone interact. energy: -0.088
local terms energy: -47.786385
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -6.730
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -91.063765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.063765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.063765 (E_RNA)
where:
Base-Base interactions energy: -40.268
where: short stacking energy: -36.743
Base-Backbone interact. energy: 0.085
local terms energy: -50.880905
where:
bonds (distance) C4'-P energy: -6.051
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -91.979099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.979099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.979099 (E_RNA)
where:
Base-Base interactions energy: -43.470
where: short stacking energy: -29.602
Base-Backbone interact. energy: -0.446
local terms energy: -48.063147
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -6.731
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: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -85.773813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.773813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.773813 (E_RNA)
where:
Base-Base interactions energy: -35.936
where: short stacking energy: -31.908
Base-Backbone interact. energy: 1.643
local terms energy: -51.480765
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -13.149
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: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -210.283665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.283665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.283665 (E_RNA)
where:
Base-Base interactions energy: -139.861
where: short stacking energy: -69.656
Base-Backbone interact. energy: -0.029
local terms energy: -70.393906
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.740
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: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -189.290375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.290375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.290375 (E_RNA)
where:
Base-Base interactions energy: -126.123
where: short stacking energy: -44.506
Base-Backbone interact. energy: -1.280
local terms energy: -61.886739
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -196.281258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.281258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.281258 (E_RNA)
where:
Base-Base interactions energy: -126.397
where: short stacking energy: -65.178
Base-Backbone interact. energy: -2.094
local terms energy: -67.789837
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -174.808099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.808099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.808099 (E_RNA)
where:
Base-Base interactions energy: -106.442
where: short stacking energy: -53.795
Base-Backbone interact. energy: -0.006
local terms energy: -68.360424
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -176.724932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.724932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.724932 (E_RNA)
where:
Base-Base interactions energy: -104.535
where: short stacking energy: -57.426
Base-Backbone interact. energy: -0.113
local terms energy: -72.076441
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -154.969931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.969931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.969931 (E_RNA)
where:
Base-Base interactions energy: -111.268
where: short stacking energy: -37.363
Base-Backbone interact. energy: -0.524
local terms energy: -43.177640
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -3.892
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -8.977
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: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -95.557323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.557323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.557323 (E_RNA)
where:
Base-Base interactions energy: -38.625
where: short stacking energy: -38.625
Base-Backbone interact. energy: -0.147
local terms energy: -56.784575
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -5.424
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: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -108.246865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.246865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.246865 (E_RNA)
where:
Base-Base interactions energy: -52.577
where: short stacking energy: -43.039
Base-Backbone interact. energy: -0.106
local terms energy: -55.563536
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -78.460909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.460909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.460909 (E_RNA)
where:
Base-Base interactions energy: -33.179
where: short stacking energy: -20.890
Base-Backbone interact. energy: -0.345
local terms energy: -44.936928
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -9.133
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: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -83.105872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.105872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.105872 (E_RNA)
where:
Base-Base interactions energy: -45.308
where: short stacking energy: -29.769
Base-Backbone interact. energy: -0.173
local terms energy: -37.624700
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -6.625
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: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -208.439462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.439462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.439462 (E_RNA)
where:
Base-Base interactions energy: -131.080
where: short stacking energy: -63.685
Base-Backbone interact. energy: -0.065
local terms energy: -77.293857
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.454
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: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -195.869247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.869247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.869247 (E_RNA)
where:
Base-Base interactions energy: -136.300
where: short stacking energy: -48.715
Base-Backbone interact. energy: -0.523
local terms energy: -59.047116
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -7.983
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: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -200.559280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.559280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.559280 (E_RNA)
where:
Base-Base interactions energy: -126.646
where: short stacking energy: -56.131
Base-Backbone interact. energy: -0.292
local terms energy: -73.621557
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.219
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: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -187.194872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.194872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.194872 (E_RNA)
where:
Base-Base interactions energy: -121.124
where: short stacking energy: -55.740
Base-Backbone interact. energy: -0.819
local terms energy: -65.251916
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -153.242238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.242238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.242238 (E_RNA)
where:
Base-Base interactions energy: -105.664
where: short stacking energy: -42.944
Base-Backbone interact. energy: -0.266
local terms energy: -47.312265
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -169.483895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.483895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.483895 (E_RNA)
where:
Base-Base interactions energy: -115.778
where: short stacking energy: -51.008
Base-Backbone interact. energy: 0.534
local terms energy: -54.239989
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -12.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -101.487391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.487391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.487391 (E_RNA)
where:
Base-Base interactions energy: -47.895
where: short stacking energy: -27.681
Base-Backbone interact. energy: 0.068
local terms energy: -53.660472
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -7.530
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: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -92.559828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.559828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.559828 (E_RNA)
where:
Base-Base interactions energy: -39.276
where: short stacking energy: -35.472
Base-Backbone interact. energy: -0.282
local terms energy: -53.002086
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -82.101659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.101659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.101659 (E_RNA)
where:
Base-Base interactions energy: -30.757
where: short stacking energy: -30.757
Base-Backbone interact. energy: -0.107
local terms energy: -51.237555
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -6.975
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: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -73.341954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.341954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.341954 (E_RNA)
where:
Base-Base interactions energy: -30.686
where: short stacking energy: -25.246
Base-Backbone interact. energy: 0.485
local terms energy: -43.141634
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -207.897601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.897601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.897601 (E_RNA)
where:
Base-Base interactions energy: -137.593
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.095
local terms energy: -70.209660
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -15.284
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: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -204.962967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.962967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.962967 (E_RNA)
where:
Base-Base interactions energy: -131.543
where: short stacking energy: -59.125
Base-Backbone interact. energy: -0.022
local terms energy: -73.397356
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -12.305
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: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -174.871958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.871958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.871958 (E_RNA)
where:
Base-Base interactions energy: -108.322
where: short stacking energy: -55.788
Base-Backbone interact. energy: -0.162
local terms energy: -66.388265
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -173.421199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.421199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.421199 (E_RNA)
where:
Base-Base interactions energy: -105.720
where: short stacking energy: -47.950
Base-Backbone interact. energy: -0.790
local terms energy: -66.911031
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -11.506
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: 231
Temperature: 1.100000
Total energy: -172.095383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.095383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.095383 (E_RNA)
where:
Base-Base interactions energy: -98.385
where: short stacking energy: -55.127
Base-Backbone interact. energy: -0.355
local terms energy: -73.355117
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -109.142410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.142410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.142410 (E_RNA)
where:
Base-Base interactions energy: -55.253
where: short stacking energy: -34.786
Base-Backbone interact. energy: -0.125
local terms energy: -53.764176
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -91.765492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.765492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.765492 (E_RNA)
where:
Base-Base interactions energy: -39.107
where: short stacking energy: -38.830
Base-Backbone interact. energy: -0.025
local terms energy: -52.633524
where:
bonds (distance) C4'-P energy: -7.429
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -7.983
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: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -78.326196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.326196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.326196 (E_RNA)
where:
Base-Base interactions energy: -26.918
where: short stacking energy: -22.400
Base-Backbone interact. energy: 0.846
local terms energy: -52.254634
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -1.958
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: 231
Temperature: 1.300000
Total energy: -90.636959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.636959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.636959 (E_RNA)
where:
Base-Base interactions energy: -40.596
where: short stacking energy: -29.156
Base-Backbone interact. energy: 0.175
local terms energy: -50.216102
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -84.234076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.234076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.234076 (E_RNA)
where:
Base-Base interactions energy: -38.606
where: short stacking energy: -13.608
Base-Backbone interact. energy: 0.932
local terms energy: -46.560655
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -6.186
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: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -205.928656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.928656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.928656 (E_RNA)
where:
Base-Base interactions energy: -136.675
where: short stacking energy: -56.218
Base-Backbone interact. energy: -0.594
local terms energy: -68.659200
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -199.490710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.490710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.490710 (E_RNA)
where:
Base-Base interactions energy: -134.201
where: short stacking energy: -58.456
Base-Backbone interact. energy: 0.233
local terms energy: -65.522809
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -171.573726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.573726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.573726 (E_RNA)
where:
Base-Base interactions energy: -102.794
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.055
local terms energy: -68.725389
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -16.207
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: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -166.184950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.184950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.184950 (E_RNA)
where:
Base-Base interactions energy: -100.926
where: short stacking energy: -55.850
Base-Backbone interact. energy: -0.023
local terms energy: -65.236780
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -179.726743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.726743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.726743 (E_RNA)
where:
Base-Base interactions energy: -115.176
where: short stacking energy: -48.154
Base-Backbone interact. energy: -0.636
local terms energy: -63.915377
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -102.411528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.411528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.411528 (E_RNA)
where:
Base-Base interactions energy: -45.464
where: short stacking energy: -33.511
Base-Backbone interact. energy: -0.341
local terms energy: -56.606222
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -91.049996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.049996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.049996 (E_RNA)
where:
Base-Base interactions energy: -39.688
where: short stacking energy: -36.769
Base-Backbone interact. energy: -0.079
local terms energy: -51.283230
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -84.358945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.358945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.358945 (E_RNA)
where:
Base-Base interactions energy: -31.106
where: short stacking energy: -31.000
Base-Backbone interact. energy: -0.116
local terms energy: -53.136981
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -86.321313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.321313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.321313 (E_RNA)
where:
Base-Base interactions energy: -38.368
where: short stacking energy: -26.687
Base-Backbone interact. energy: 1.151
local terms energy: -49.104118
where:
bonds (distance) C4'-P energy: -7.777
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -97.144501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.144501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.144501 (E_RNA)
where:
Base-Base interactions energy: -44.826
where: short stacking energy: -44.860
Base-Backbone interact. energy: -0.025
local terms energy: -52.293754
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -6.920
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -210.778234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.778234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.778234 (E_RNA)
where:
Base-Base interactions energy: -138.059
where: short stacking energy: -64.803
Base-Backbone interact. energy: -0.129
local terms energy: -72.590591
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -15.498
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: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -193.970618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.970618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.970618 (E_RNA)
where:
Base-Base interactions energy: -118.130
where: short stacking energy: -71.402
Base-Backbone interact. energy: -0.157
local terms energy: -75.684054
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -179.629263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.629263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.629263 (E_RNA)
where:
Base-Base interactions energy: -117.445
where: short stacking energy: -55.243
Base-Backbone interact. energy: 0.096
local terms energy: -62.280397
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -191.747616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.747616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.747616 (E_RNA)
where:
Base-Base interactions energy: -123.282
where: short stacking energy: -55.309
Base-Backbone interact. energy: -0.031
local terms energy: -68.434498
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -166.757537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.757537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.757537 (E_RNA)
where:
Base-Base interactions energy: -97.075
where: short stacking energy: -50.636
Base-Backbone interact. energy: -0.035
local terms energy: -69.647820
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -12.537
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: 1
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -99.205229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.205229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.205229 (E_RNA)
where:
Base-Base interactions energy: -41.673
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.056
local terms energy: -57.476435
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -10.079
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: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -105.818913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.818913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.818913 (E_RNA)
where:
Base-Base interactions energy: -48.441
where: short stacking energy: -33.597
Base-Backbone interact. energy: -1.472
local terms energy: -55.906391
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -89.238245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.238245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.238245 (E_RNA)
where:
Base-Base interactions energy: -40.001
where: short stacking energy: -40.001
Base-Backbone interact. energy: -0.147
local terms energy: -49.090773
where:
bonds (distance) C4'-P energy: -7.806
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -84.073998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.073998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.073998 (E_RNA)
where:
Base-Base interactions energy: -32.263
where: short stacking energy: -30.924
Base-Backbone interact. energy: -0.517
local terms energy: -51.294235
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -6.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -77.445580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.445580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.445580 (E_RNA)
where:
Base-Base interactions energy: -34.359
where: short stacking energy: -26.269
Base-Backbone interact. energy: -0.159
local terms energy: -42.927719
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -202.725588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.725588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.725588 (E_RNA)
where:
Base-Base interactions energy: -134.858
where: short stacking energy: -58.558
Base-Backbone interact. energy: -0.829
local terms energy: -67.038765
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -194.866217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.866217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.866217 (E_RNA)
where:
Base-Base interactions energy: -118.237
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.070
local terms energy: -76.558981
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -193.664188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.664188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.664188 (E_RNA)
where:
Base-Base interactions energy: -122.309
where: short stacking energy: -64.164
Base-Backbone interact. energy: -0.489
local terms energy: -70.865812
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -16.056
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: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -169.627382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.627382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.627382 (E_RNA)
where:
Base-Base interactions energy: -107.443
where: short stacking energy: -42.692
Base-Backbone interact. energy: 0.437
local terms energy: -62.621341
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.601
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: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -123.598679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.598679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.598679 (E_RNA)
where:
Base-Base interactions energy: -56.617
where: short stacking energy: -51.395
Base-Backbone interact. energy: -0.009
local terms energy: -66.972866
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -167.413770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.413770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.413770 (E_RNA)
where:
Base-Base interactions energy: -108.443
where: short stacking energy: -51.053
Base-Backbone interact. energy: -0.089
local terms energy: -58.881303
where:
bonds (distance) C4'-P energy: -7.944
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -82.659202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.659202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.659202 (E_RNA)
where:
Base-Base interactions energy: -37.366
where: short stacking energy: -31.948
Base-Backbone interact. energy: -0.047
local terms energy: -45.246019
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -95.665264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.665264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.665264 (E_RNA)
where:
Base-Base interactions energy: -43.999
where: short stacking energy: -25.601
Base-Backbone interact. energy: -0.127
local terms energy: -51.539663
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -6.067
flat angles P-C4'-P energy: -11.033
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: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -82.224993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.224993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.224993 (E_RNA)
where:
Base-Base interactions energy: -35.175
where: short stacking energy: -35.175
Base-Backbone interact. energy: -0.072
local terms energy: -46.977191
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -0.867
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -80.876924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.876924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.876924 (E_RNA)
where:
Base-Base interactions energy: -30.584
where: short stacking energy: -18.708
Base-Backbone interact. energy: -1.025
local terms energy: -49.267874
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -1.110
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: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -207.251741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.251741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.251741 (E_RNA)
where:
Base-Base interactions energy: -142.164
where: short stacking energy: -58.938
Base-Backbone interact. energy: -0.151
local terms energy: -64.936922
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -197.641341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.641341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.641341 (E_RNA)
where:
Base-Base interactions energy: -130.285
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.092
local terms energy: -67.264579
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -3.836
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: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -194.827450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.827450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.827450 (E_RNA)
where:
Base-Base interactions energy: -125.535
where: short stacking energy: -53.028
Base-Backbone interact. energy: -0.292
local terms energy: -69.000689
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -174.342691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.342691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.342691 (E_RNA)
where:
Base-Base interactions energy: -109.845
where: short stacking energy: -54.874
Base-Backbone interact. energy: -0.103
local terms energy: -64.394792
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -116.590824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.590824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.590824 (E_RNA)
where:
Base-Base interactions energy: -55.448
where: short stacking energy: -42.313
Base-Backbone interact. energy: 0.052
local terms energy: -61.194892
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -11.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -144.434159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.434159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.434159 (E_RNA)
where:
Base-Base interactions energy: -82.920
where: short stacking energy: -40.589
Base-Backbone interact. energy: -0.261
local terms energy: -61.253293
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -7.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -90.068325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.068325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.068325 (E_RNA)
where:
Base-Base interactions energy: -38.873
where: short stacking energy: -32.270
Base-Backbone interact. energy: -0.457
local terms energy: -50.738404
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -7.328
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: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -93.822014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.822014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.822014 (E_RNA)
where:
Base-Base interactions energy: -31.258
where: short stacking energy: -31.258
Base-Backbone interact. energy: -0.001
local terms energy: -62.563458
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -6.959
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: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -100.955634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.955634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.955634 (E_RNA)
where:
Base-Base interactions energy: -48.626
where: short stacking energy: -30.283
Base-Backbone interact. energy: -0.217
local terms energy: -52.112479
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -95.227716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.227716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.227716 (E_RNA)
where:
Base-Base interactions energy: -40.344
where: short stacking energy: -26.728
Base-Backbone interact. energy: -0.120
local terms energy: -54.763499
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -7.700
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: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -209.977173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.977173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.977173 (E_RNA)
where:
Base-Base interactions energy: -133.303
where: short stacking energy: -59.741
Base-Backbone interact. energy: -0.926
local terms energy: -75.747634
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -200.289935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.289935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.289935 (E_RNA)
where:
Base-Base interactions energy: -135.206
where: short stacking energy: -55.678
Base-Backbone interact. energy: -0.751
local terms energy: -64.333152
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -188.324141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.324141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.324141 (E_RNA)
where:
Base-Base interactions energy: -112.639
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.962
local terms energy: -74.723412
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -14.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -190.849246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.849246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.849246 (E_RNA)
where:
Base-Base interactions energy: -126.821
where: short stacking energy: -54.509
Base-Backbone interact. energy: -0.281
local terms energy: -63.746937
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -156.193878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.193878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.193878 (E_RNA)
where:
Base-Base interactions energy: -90.477
where: short stacking energy: -36.684
Base-Backbone interact. energy: -0.011
local terms energy: -65.705063
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -9.947
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: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -104.575707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.575707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.575707 (E_RNA)
where:
Base-Base interactions energy: -45.091
where: short stacking energy: -45.091
Base-Backbone interact. energy: -0.147
local terms energy: -59.338026
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -102.029628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.029628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.029628 (E_RNA)
where:
Base-Base interactions energy: -46.610
where: short stacking energy: -46.610
Base-Backbone interact. energy: -0.017
local terms energy: -55.402771
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -87.952105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.952105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.952105 (E_RNA)
where:
Base-Base interactions energy: -25.956
where: short stacking energy: -21.776
Base-Backbone interact. energy: -0.521
local terms energy: -61.474836
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -84.985635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.985635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.985635 (E_RNA)
where:
Base-Base interactions energy: -33.476
where: short stacking energy: -29.359
Base-Backbone interact. energy: 0.901
local terms energy: -52.410151
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -4.531
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: 236
Temperature: 1.350000
Total energy: -101.148214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.148214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.148214 (E_RNA)
where:
Base-Base interactions energy: -63.268
where: short stacking energy: -30.499
Base-Backbone interact. energy: -0.274
local terms energy: -37.605526
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -7.422
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -208.381743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.381743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.381743 (E_RNA)
where:
Base-Base interactions energy: -137.236
where: short stacking energy: -51.200
Base-Backbone interact. energy: -0.056
local terms energy: -71.090453
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -11.822
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: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -193.188388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.188388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.188388 (E_RNA)
where:
Base-Base interactions energy: -121.107
where: short stacking energy: -56.827
Base-Backbone interact. energy: -0.250
local terms energy: -71.831529
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -190.321225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.321225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.321225 (E_RNA)
where:
Base-Base interactions energy: -125.791
where: short stacking energy: -53.158
Base-Backbone interact. energy: -0.073
local terms energy: -64.457133
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -14.851
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: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -172.835055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.835055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.835055 (E_RNA)
where:
Base-Base interactions energy: -108.558
where: short stacking energy: -60.281
Base-Backbone interact. energy: -0.099
local terms energy: -64.178104
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -11.326
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: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -183.244984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.244984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.244984 (E_RNA)
where:
Base-Base interactions energy: -122.537
where: short stacking energy: -49.189
Base-Backbone interact. energy: 0.386
local terms energy: -61.093565
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -103.811593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.811593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.811593 (E_RNA)
where:
Base-Base interactions energy: -44.751
where: short stacking energy: -40.842
Base-Backbone interact. energy: -0.025
local terms energy: -59.035589
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -11.510
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: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -87.458657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.458657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.458657 (E_RNA)
where:
Base-Base interactions energy: -39.933
where: short stacking energy: -32.113
Base-Backbone interact. energy: -0.155
local terms energy: -47.370978
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -88.018050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.018050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.018050 (E_RNA)
where:
Base-Base interactions energy: -33.257
where: short stacking energy: -26.872
Base-Backbone interact. energy: -0.093
local terms energy: -54.668732
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -77.997895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.997895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.997895 (E_RNA)
where:
Base-Base interactions energy: -29.299
where: short stacking energy: -25.115
Base-Backbone interact. energy: -0.359
local terms energy: -48.339461
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: 2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -78.089254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.089254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.089254 (E_RNA)
where:
Base-Base interactions energy: -26.837
where: short stacking energy: -26.837
Base-Backbone interact. energy: -0.027
local terms energy: -51.225336
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: 0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -194.188731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.188731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.188731 (E_RNA)
where:
Base-Base interactions energy: -115.928
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.010
local terms energy: -78.250685
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -202.780133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.780133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.780133 (E_RNA)
where:
Base-Base interactions energy: -137.111
where: short stacking energy: -50.126
Base-Backbone interact. energy: -0.162
local terms energy: -65.507081
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -12.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -197.659487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.659487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.659487 (E_RNA)
where:
Base-Base interactions energy: -122.008
where: short stacking energy: -61.126
Base-Backbone interact. energy: -0.018
local terms energy: -75.633283
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -11.682
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: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -164.043637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.043637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.043637 (E_RNA)
where:
Base-Base interactions energy: -94.113
where: short stacking energy: -51.800
Base-Backbone interact. energy: -0.545
local terms energy: -69.385759
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -11.776
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: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -193.864637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.864637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.864637 (E_RNA)
where:
Base-Base interactions energy: -136.955
where: short stacking energy: -59.449
Base-Backbone interact. energy: -0.254
local terms energy: -56.655550
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -10.707
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: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -100.333477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.333477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.333477 (E_RNA)
where:
Base-Base interactions energy: -42.510
where: short stacking energy: -38.598
Base-Backbone interact. energy: -0.170
local terms energy: -57.653172
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -92.399081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.399081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.399081 (E_RNA)
where:
Base-Base interactions energy: -37.325
where: short stacking energy: -36.618
Base-Backbone interact. energy: -0.008
local terms energy: -55.066466
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -102.023605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.023605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.023605 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -35.405
Base-Backbone interact. energy: -0.100
local terms energy: -66.519005
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -11.299
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: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -81.784450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.784450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.784450 (E_RNA)
where:
Base-Base interactions energy: -33.567
where: short stacking energy: -33.567
Base-Backbone interact. energy: -0.178
local terms energy: -48.039676
where:
bonds (distance) C4'-P energy: -4.256
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -13.570
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: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -78.314414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.314414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.314414 (E_RNA)
where:
Base-Base interactions energy: -34.021
where: short stacking energy: -33.937
Base-Backbone interact. energy: -0.097
local terms energy: -44.196765
where:
bonds (distance) C4'-P energy: -7.620
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -191.728043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.728043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.728043 (E_RNA)
where:
Base-Base interactions energy: -119.644
where: short stacking energy: -61.941
Base-Backbone interact. energy: 0.300
local terms energy: -72.384164
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -15.279
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: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -203.470216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.470216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.470216 (E_RNA)
where:
Base-Base interactions energy: -139.321
where: short stacking energy: -51.055
Base-Backbone interact. energy: -0.077
local terms energy: -64.071754
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -11.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -200.920959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.920959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.920959 (E_RNA)
where:
Base-Base interactions energy: -134.197
where: short stacking energy: -59.337
Base-Backbone interact. energy: -0.047
local terms energy: -66.676932
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -192.355972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.355972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.355972 (E_RNA)
where:
Base-Base interactions energy: -120.004
where: short stacking energy: -61.864
Base-Backbone interact. energy: -1.384
local terms energy: -70.968147
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -10.182
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: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -162.152514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.152514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.152514 (E_RNA)
where:
Base-Base interactions energy: -98.963
where: short stacking energy: -49.122
Base-Backbone interact. energy: -0.338
local terms energy: -62.851191
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -9.643
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: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -105.043408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.043408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.043408 (E_RNA)
where:
Base-Base interactions energy: -58.690
where: short stacking energy: -51.819
Base-Backbone interact. energy: -0.202
local terms energy: -46.151389
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -82.237104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.237104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.237104 (E_RNA)
where:
Base-Base interactions energy: -29.612
where: short stacking energy: -26.583
Base-Backbone interact. energy: 0.215
local terms energy: -52.840365
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -102.846080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.846080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.846080 (E_RNA)
where:
Base-Base interactions energy: -43.564
where: short stacking energy: -43.257
Base-Backbone interact. energy: -0.064
local terms energy: -59.218241
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -7.782
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: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -82.857145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.857145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.857145 (E_RNA)
where:
Base-Base interactions energy: -30.837
where: short stacking energy: -30.436
Base-Backbone interact. energy: -0.792
local terms energy: -51.228481
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -8.057
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -8.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -75.200981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.200981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.200981 (E_RNA)
where:
Base-Base interactions energy: -23.795
where: short stacking energy: -23.655
Base-Backbone interact. energy: -0.111
local terms energy: -51.295732
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -206.786524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.786524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.786524 (E_RNA)
where:
Base-Base interactions energy: -134.256
where: short stacking energy: -57.424
Base-Backbone interact. energy: -0.046
local terms energy: -72.484715
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -10.551
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -15.236
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: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -187.775077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.775077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.775077 (E_RNA)
where:
Base-Base interactions energy: -122.155
where: short stacking energy: -62.502
Base-Backbone interact. energy: -0.310
local terms energy: -65.309369
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -186.506161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.506161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.506161 (E_RNA)
where:
Base-Base interactions energy: -112.593
where: short stacking energy: -53.798
Base-Backbone interact. energy: -0.551
local terms energy: -73.362068
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -185.354608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.354608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.354608 (E_RNA)
where:
Base-Base interactions energy: -119.176
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.105
local terms energy: -66.073690
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -9.828
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -164.449356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.449356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.449356 (E_RNA)
where:
Base-Base interactions energy: -103.656
where: short stacking energy: -46.946
Base-Backbone interact. energy: -0.468
local terms energy: -60.325392
where:
bonds (distance) C4'-P energy: -8.332
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -105.403416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.403416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.403416 (E_RNA)
where:
Base-Base interactions energy: -44.080
where: short stacking energy: -40.906
Base-Backbone interact. energy: -0.008
local terms energy: -61.314835
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -86.108410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.108410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.108410 (E_RNA)
where:
Base-Base interactions energy: -36.552
where: short stacking energy: -25.749
Base-Backbone interact. energy: -0.279
local terms energy: -49.277031
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -89.583354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.583354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.583354 (E_RNA)
where:
Base-Base interactions energy: -34.989
where: short stacking energy: -34.989
Base-Backbone interact. energy: 1.042
local terms energy: -55.636070
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -7.171
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -76.035083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.035083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.035083 (E_RNA)
where:
Base-Base interactions energy: -24.448
where: short stacking energy: -17.411
Base-Backbone interact. energy: -0.232
local terms energy: -51.354194
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -9.485
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: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -73.481623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.481623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.481623 (E_RNA)
where:
Base-Base interactions energy: -31.137
where: short stacking energy: -30.827
Base-Backbone interact. energy: -0.416
local terms energy: -41.928284
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -8.344
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -1.174
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: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -210.141092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.141092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.141092 (E_RNA)
where:
Base-Base interactions energy: -142.339
where: short stacking energy: -57.333
Base-Backbone interact. energy: 0.730
local terms energy: -68.532260
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -11.107
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: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -185.344328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.344328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.344328 (E_RNA)
where:
Base-Base interactions energy: -113.293
where: short stacking energy: -50.369
Base-Backbone interact. energy: -0.396
local terms energy: -71.655470
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -10.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -190.609951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.609951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.609951 (E_RNA)
where:
Base-Base interactions energy: -124.259
where: short stacking energy: -52.596
Base-Backbone interact. energy: -0.008
local terms energy: -66.343125
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -9.197
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: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -174.971371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.971371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.971371 (E_RNA)
where:
Base-Base interactions energy: -101.489
where: short stacking energy: -64.035
Base-Backbone interact. energy: 0.557
local terms energy: -74.039272
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -163.196385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.196385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.196385 (E_RNA)
where:
Base-Base interactions energy: -99.598
where: short stacking energy: -46.707
Base-Backbone interact. energy: -0.032
local terms energy: -63.566025
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -87.878522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.878522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.878522 (E_RNA)
where:
Base-Base interactions energy: -37.646
where: short stacking energy: -37.231
Base-Backbone interact. energy: -0.191
local terms energy: -50.041182
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -3.418
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: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -86.370710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.370710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.370710 (E_RNA)
where:
Base-Base interactions energy: -32.162
where: short stacking energy: -28.417
Base-Backbone interact. energy: -0.001
local terms energy: -54.207762
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -90.375089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.375089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.375089 (E_RNA)
where:
Base-Base interactions energy: -30.041
where: short stacking energy: -17.241
Base-Backbone interact. energy: -0.888
local terms energy: -59.445253
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -82.822386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.822386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.822386 (E_RNA)
where:
Base-Base interactions energy: -40.557
where: short stacking energy: -39.022
Base-Backbone interact. energy: 2.490
local terms energy: -44.755506
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -9.182
flat angles C4'-P-C4' energy: -7.805
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -83.647506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.647506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.647506 (E_RNA)
where:
Base-Base interactions energy: -31.356
where: short stacking energy: -31.275
Base-Backbone interact. energy: -0.087
local terms energy: -52.204868
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -207.617111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.617111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.617111 (E_RNA)
where:
Base-Base interactions energy: -134.646
where: short stacking energy: -60.114
Base-Backbone interact. energy: -0.014
local terms energy: -72.957518
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -14.966
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: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -171.851548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.851548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.851548 (E_RNA)
where:
Base-Base interactions energy: -108.386
where: short stacking energy: -55.730
Base-Backbone interact. energy: -0.376
local terms energy: -63.089480
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -10.723
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: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -190.588461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.588461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.588461 (E_RNA)
where:
Base-Base interactions energy: -122.497
where: short stacking energy: -67.442
Base-Backbone interact. energy: -0.152
local terms energy: -67.939904
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -3.378
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: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -182.770410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.770410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.770410 (E_RNA)
where:
Base-Base interactions energy: -115.917
where: short stacking energy: -46.138
Base-Backbone interact. energy: -0.086
local terms energy: -66.768132
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -6.758
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: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -93.533623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.533623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.533623 (E_RNA)
where:
Base-Base interactions energy: -38.269
where: short stacking energy: -34.549
Base-Backbone interact. energy: -0.046
local terms energy: -55.218973
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -7.055
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: 6, replica: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -174.359745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.359745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.359745 (E_RNA)
where:
Base-Base interactions energy: -105.639
where: short stacking energy: -56.968
Base-Backbone interact. energy: -0.024
local terms energy: -68.695928
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -11.341
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: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -90.944876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.944876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.944876 (E_RNA)
where:
Base-Base interactions energy: -42.396
where: short stacking energy: -34.864
Base-Backbone interact. energy: 1.110
local terms energy: -49.659451
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -5.034
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: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -97.619774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.619774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.619774 (E_RNA)
where:
Base-Base interactions energy: -48.876
where: short stacking energy: -23.493
Base-Backbone interact. energy: -0.029
local terms energy: -48.715054
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -2.988
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: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -87.055420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.055420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.055420 (E_RNA)
where:
Base-Base interactions energy: -32.900
where: short stacking energy: -32.900
Base-Backbone interact. energy: -0.014
local terms energy: -54.141169
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -79.431227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.431227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.431227 (E_RNA)
where:
Base-Base interactions energy: -28.526
where: short stacking energy: -28.526
Base-Backbone interact. energy: -0.073
local terms energy: -50.832289
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -4.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -198.888783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.888783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.888783 (E_RNA)
where:
Base-Base interactions energy: -130.483
where: short stacking energy: -53.870
Base-Backbone interact. energy: -0.008
local terms energy: -68.398402
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -15.275
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: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -209.979481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.979481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.979481 (E_RNA)
where:
Base-Base interactions energy: -134.967
where: short stacking energy: -65.003
Base-Backbone interact. energy: -0.013
local terms energy: -74.999717
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -177.490991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.490991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.490991 (E_RNA)
where:
Base-Base interactions energy: -106.132
where: short stacking energy: -67.315
Base-Backbone interact. energy: -0.058
local terms energy: -71.300909
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -177.626341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.626341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.626341 (E_RNA)
where:
Base-Base interactions energy: -111.548
where: short stacking energy: -51.679
Base-Backbone interact. energy: -0.198
local terms energy: -65.879818
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -13.905
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: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -108.548315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.548315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.548315 (E_RNA)
where:
Base-Base interactions energy: -49.940
where: short stacking energy: -46.470
Base-Backbone interact. energy: 1.169
local terms energy: -59.777534
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -183.944606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.944606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.944606 (E_RNA)
where:
Base-Base interactions energy: -122.981
where: short stacking energy: -58.213
Base-Backbone interact. energy: -0.004
local terms energy: -60.959693
where:
bonds (distance) C4'-P energy: -9.128
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -11.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -88.877172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.877172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.877172 (E_RNA)
where:
Base-Base interactions energy: -33.978
where: short stacking energy: -25.060
Base-Backbone interact. energy: -0.179
local terms energy: -54.720048
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -107.813578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.813578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.813578 (E_RNA)
where:
Base-Base interactions energy: -44.983
where: short stacking energy: -43.148
Base-Backbone interact. energy: -1.042
local terms energy: -61.789303
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -10.977
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: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -94.264045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.264045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.264045 (E_RNA)
where:
Base-Base interactions energy: -46.510
where: short stacking energy: -22.910
Base-Backbone interact. energy: -1.162
local terms energy: -46.592870
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -98.121377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.121377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.121377 (E_RNA)
where:
Base-Base interactions energy: -57.506
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.387
local terms energy: -40.229029
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -7.471
flat angles P-C4'-P energy: -1.098
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: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -201.947960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.947960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.947960 (E_RNA)
where:
Base-Base interactions energy: -135.095
where: short stacking energy: -59.638
Base-Backbone interact. energy: -0.331
local terms energy: -66.522189
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -12.241
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: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -204.825363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.825363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.825363 (E_RNA)
where:
Base-Base interactions energy: -124.816
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.269
local terms energy: -79.741047
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -170.939538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.939538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.939538 (E_RNA)
where:
Base-Base interactions energy: -106.962
where: short stacking energy: -50.111
Base-Backbone interact. energy: -0.116
local terms energy: -63.861911
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -11.216
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: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -174.222491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.222491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.222491 (E_RNA)
where:
Base-Base interactions energy: -114.346
where: short stacking energy: -46.338
Base-Backbone interact. energy: 0.461
local terms energy: -60.337900
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -8.768
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: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -194.579344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.579344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.579344 (E_RNA)
where:
Base-Base interactions energy: -131.815
where: short stacking energy: -62.709
Base-Backbone interact. energy: -0.003
local terms energy: -62.761638
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -108.273402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.273402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.273402 (E_RNA)
where:
Base-Base interactions energy: -60.291
where: short stacking energy: -45.919
Base-Backbone interact. energy: -0.048
local terms energy: -47.934761
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -8.444
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -6.654
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: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -109.965985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.965985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.965985 (E_RNA)
where:
Base-Base interactions energy: -54.969
where: short stacking energy: -26.296
Base-Backbone interact. energy: -0.025
local terms energy: -54.972170
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -88.491436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.491436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.491436 (E_RNA)
where:
Base-Base interactions energy: -33.542
where: short stacking energy: -31.982
Base-Backbone interact. energy: -0.690
local terms energy: -54.260158
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -11.202
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: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -117.076222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.076222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.076222 (E_RNA)
where:
Base-Base interactions energy: -63.310
where: short stacking energy: -39.669
Base-Backbone interact. energy: -0.247
local terms energy: -53.518383
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -82.627747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.627747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.627747 (E_RNA)
where:
Base-Base interactions energy: -34.825
where: short stacking energy: -31.974
Base-Backbone interact. energy: 1.552
local terms energy: -49.355280
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -3.038
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: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -205.049137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.049137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.049137 (E_RNA)
where:
Base-Base interactions energy: -128.587
where: short stacking energy: -65.016
Base-Backbone interact. energy: -0.044
local terms energy: -76.418780
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -20.557
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: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -202.999392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.999392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.999392 (E_RNA)
where:
Base-Base interactions energy: -133.387
where: short stacking energy: -62.820
Base-Backbone interact. energy: 0.735
local terms energy: -70.347798
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -180.829776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.829776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.829776 (E_RNA)
where:
Base-Base interactions energy: -117.333
where: short stacking energy: -45.360
Base-Backbone interact. energy: -0.888
local terms energy: -62.608687
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -180.930939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.930939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.930939 (E_RNA)
where:
Base-Base interactions energy: -120.395
where: short stacking energy: -49.849
Base-Backbone interact. energy: -0.097
local terms energy: -60.438218
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -11.671
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: 5, replica: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -173.604830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.604830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.604830 (E_RNA)
where:
Base-Base interactions energy: -116.169
where: short stacking energy: -47.426
Base-Backbone interact. energy: -0.011
local terms energy: -57.425570
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -114.794409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.794409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.794409 (E_RNA)
where:
Base-Base interactions energy: -67.452
where: short stacking energy: -39.902
Base-Backbone interact. energy: -0.120
local terms energy: -47.221797
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -6.897
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: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -92.308547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.308547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.308547 (E_RNA)
where:
Base-Base interactions energy: -41.218
where: short stacking energy: -25.808
Base-Backbone interact. energy: 0.238
local terms energy: -51.328591
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: 0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -89.049192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.049192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.049192 (E_RNA)
where:
Base-Base interactions energy: -42.055
where: short stacking energy: -25.710
Base-Backbone interact. energy: -0.006
local terms energy: -46.988566
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -80.650048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.650048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.650048 (E_RNA)
where:
Base-Base interactions energy: -30.096
where: short stacking energy: -22.316
Base-Backbone interact. energy: -0.069
local terms energy: -50.485597
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: 0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -78.263820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.263820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.263820 (E_RNA)
where:
Base-Base interactions energy: -29.877
where: short stacking energy: -25.375
Base-Backbone interact. energy: -1.108
local terms energy: -47.278459
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -5.961
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: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -207.795821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.795821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.795821 (E_RNA)
where:
Base-Base interactions energy: -132.916
where: short stacking energy: -55.957
Base-Backbone interact. energy: -0.080
local terms energy: -74.799514
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -201.077171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.077171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.077171 (E_RNA)
where:
Base-Base interactions energy: -129.852
where: short stacking energy: -60.991
Base-Backbone interact. energy: -0.025
local terms energy: -71.199643
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -197.332099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.332099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.332099 (E_RNA)
where:
Base-Base interactions energy: -139.662
where: short stacking energy: -59.122
Base-Backbone interact. energy: 0.062
local terms energy: -57.731587
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -7.895
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: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -181.564729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.564729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.564729 (E_RNA)
where:
Base-Base interactions energy: -114.625
where: short stacking energy: -69.060
Base-Backbone interact. energy: -0.668
local terms energy: -66.271704
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -13.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -156.237611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.237611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.237611 (E_RNA)
where:
Base-Base interactions energy: -100.500
where: short stacking energy: -42.127
Base-Backbone interact. energy: -0.851
local terms energy: -54.887065
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -4.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -96.856131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.856131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.856131 (E_RNA)
where:
Base-Base interactions energy: -45.880
where: short stacking energy: -39.840
Base-Backbone interact. energy: 1.453
local terms energy: -52.429854
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -101.904946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.904946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.904946 (E_RNA)
where:
Base-Base interactions energy: -55.287
where: short stacking energy: -28.926
Base-Backbone interact. energy: -0.168
local terms energy: -46.449667
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -98.275539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.275539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.275539 (E_RNA)
where:
Base-Base interactions energy: -44.464
where: short stacking energy: -41.882
Base-Backbone interact. energy: -0.022
local terms energy: -53.789901
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -4.490
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: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -87.478855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.478855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.478855 (E_RNA)
where:
Base-Base interactions energy: -46.203
where: short stacking energy: -24.126
Base-Backbone interact. energy: 0.575
local terms energy: -41.851012
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: 0.338
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -85.206027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.206027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.206027 (E_RNA)
where:
Base-Base interactions energy: -37.907
where: short stacking energy: -36.148
Base-Backbone interact. energy: -0.092
local terms energy: -47.207883
where:
bonds (distance) C4'-P energy: -7.422
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -5.166
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -204.405233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.405233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.405233 (E_RNA)
where:
Base-Base interactions energy: -133.725
where: short stacking energy: -66.722
Base-Backbone interact. energy: -0.252
local terms energy: -70.428747
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -185.599760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.599760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.599760 (E_RNA)
where:
Base-Base interactions energy: -115.704
where: short stacking energy: -57.809
Base-Backbone interact. energy: -0.007
local terms energy: -69.889226
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -10.069
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: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -197.738565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.738565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.738565 (E_RNA)
where:
Base-Base interactions energy: -133.141
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.013
local terms energy: -64.584038
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -173.460796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.460796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.460796 (E_RNA)
where:
Base-Base interactions energy: -110.160
where: short stacking energy: -52.604
Base-Backbone interact. energy: -0.012
local terms energy: -63.288926
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -11.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -155.055929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.055929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.055929 (E_RNA)
where:
Base-Base interactions energy: -96.341
where: short stacking energy: -44.134
Base-Backbone interact. energy: -0.190
local terms energy: -58.525565
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -95.004255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.004255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.004255 (E_RNA)
where:
Base-Base interactions energy: -46.429
where: short stacking energy: -29.503
Base-Backbone interact. energy: -0.283
local terms energy: -48.292590
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -99.146724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.146724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.146724 (E_RNA)
where:
Base-Base interactions energy: -49.976
where: short stacking energy: -23.969
Base-Backbone interact. energy: -0.367
local terms energy: -48.803627
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -88.858669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.858669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.858669 (E_RNA)
where:
Base-Base interactions energy: -31.460
where: short stacking energy: -25.411
Base-Backbone interact. energy: -0.231
local terms energy: -57.167634
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -85.208770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.208770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.208770 (E_RNA)
where:
Base-Base interactions energy: -33.268
where: short stacking energy: -28.880
Base-Backbone interact. energy: 0.011
local terms energy: -51.952370
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -86.206883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.206883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.206883 (E_RNA)
where:
Base-Base interactions energy: -33.953
where: short stacking energy: -29.248
Base-Backbone interact. energy: -0.065
local terms energy: -52.188928
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -5.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -206.409634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.409634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.409634 (E_RNA)
where:
Base-Base interactions energy: -124.300
where: short stacking energy: -60.969
Base-Backbone interact. energy: -0.009
local terms energy: -82.100352
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -185.059719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.059719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.059719 (E_RNA)
where:
Base-Base interactions energy: -109.445
where: short stacking energy: -56.974
Base-Backbone interact. energy: -1.821
local terms energy: -73.793561
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -178.847473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.847473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.847473 (E_RNA)
where:
Base-Base interactions energy: -114.766
where: short stacking energy: -57.986
Base-Backbone interact. energy: -0.207
local terms energy: -63.874087
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -12.959
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: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -184.366069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.366069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.366069 (E_RNA)
where:
Base-Base interactions energy: -115.894
where: short stacking energy: -65.630
Base-Backbone interact. energy: -0.033
local terms energy: -68.438691
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -167.383136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.383136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.383136 (E_RNA)
where:
Base-Base interactions energy: -106.507
where: short stacking energy: -49.186
Base-Backbone interact. energy: -0.126
local terms energy: -60.749484
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -9.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -97.813824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.813824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.813824 (E_RNA)
where:
Base-Base interactions energy: -46.841
where: short stacking energy: -38.781
Base-Backbone interact. energy: -0.301
local terms energy: -50.671722
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -93.448330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.448330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.448330 (E_RNA)
where:
Base-Base interactions energy: -42.241
where: short stacking energy: -38.480
Base-Backbone interact. energy: 1.525
local terms energy: -52.732007
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -1.777
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: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -88.348250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.348250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.348250 (E_RNA)
where:
Base-Base interactions energy: -29.761
where: short stacking energy: -30.315
Base-Backbone interact. energy: -2.600
local terms energy: -55.987694
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -83.807109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.807109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.807109 (E_RNA)
where:
Base-Base interactions energy: -31.096
where: short stacking energy: -28.488
Base-Backbone interact. energy: -0.170
local terms energy: -52.540436
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -3.589
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: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -75.575345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.575345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.575345 (E_RNA)
where:
Base-Base interactions energy: -36.784
where: short stacking energy: -24.644
Base-Backbone interact. energy: -0.418
local terms energy: -38.373236
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -8.348
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -210.160847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.160847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.160847 (E_RNA)
where:
Base-Base interactions energy: -138.030
where: short stacking energy: -63.984
Base-Backbone interact. energy: -0.318
local terms energy: -71.812486
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -203.981629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.981629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.981629 (E_RNA)
where:
Base-Base interactions energy: -134.821
where: short stacking energy: -61.559
Base-Backbone interact. energy: -0.223
local terms energy: -68.937702
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -169.626977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.626977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.626977 (E_RNA)
where:
Base-Base interactions energy: -100.176
where: short stacking energy: -44.229
Base-Backbone interact. energy: -0.678
local terms energy: -68.772527
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -11.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -163.878353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.878353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.878353 (E_RNA)
where:
Base-Base interactions energy: -100.875
where: short stacking energy: -48.119
Base-Backbone interact. energy: -0.003
local terms energy: -63.000006
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -12.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -163.536491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.536491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.536491 (E_RNA)
where:
Base-Base interactions energy: -104.105
where: short stacking energy: -45.533
Base-Backbone interact. energy: -0.169
local terms energy: -59.262255
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -98.006379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.006379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.006379 (E_RNA)
where:
Base-Base interactions energy: -33.706
where: short stacking energy: -33.706
Base-Backbone interact. energy: -0.178
local terms energy: -64.122340
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -105.599283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.599283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.599283 (E_RNA)
where:
Base-Base interactions energy: -49.985
where: short stacking energy: -37.729
Base-Backbone interact. energy: -0.202
local terms energy: -55.411564
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -7.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -83.077345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.077345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.077345 (E_RNA)
where:
Base-Base interactions energy: -37.355
where: short stacking energy: -36.134
Base-Backbone interact. energy: -0.131
local terms energy: -45.591273
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -0.119
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -78.469180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.469180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.469180 (E_RNA)
where:
Base-Base interactions energy: -35.122
where: short stacking energy: -32.625
Base-Backbone interact. energy: -0.075
local terms energy: -43.271973
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -84.770805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.770805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.770805 (E_RNA)
where:
Base-Base interactions energy: -44.050
where: short stacking energy: -28.984
Base-Backbone interact. energy: -0.434
local terms energy: -40.286583
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: 4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -213.771893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.771893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.771893 (E_RNA)
where:
Base-Base interactions energy: -144.205
where: short stacking energy: -64.368
Base-Backbone interact. energy: -0.002
local terms energy: -69.564345
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -7.767
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: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -204.228686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.228686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.228686 (E_RNA)
where:
Base-Base interactions energy: -133.225
where: short stacking energy: -54.636
Base-Backbone interact. energy: -0.239
local terms energy: -70.765391
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -192.226513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.226513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.226513 (E_RNA)
where:
Base-Base interactions energy: -120.110
where: short stacking energy: -47.016
Base-Backbone interact. energy: -0.009
local terms energy: -72.107920
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -17.199
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: 9
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -170.948447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.948447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.948447 (E_RNA)
where:
Base-Base interactions energy: -100.898
where: short stacking energy: -48.480
Base-Backbone interact. energy: 0.756
local terms energy: -70.806421
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -167.286184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.286184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.286184 (E_RNA)
where:
Base-Base interactions energy: -100.500
where: short stacking energy: -51.765
Base-Backbone interact. energy: -0.077
local terms energy: -66.709568
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -99.196428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.196428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.196428 (E_RNA)
where:
Base-Base interactions energy: -41.177
where: short stacking energy: -38.867
Base-Backbone interact. energy: -0.155
local terms energy: -57.865063
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -99.076965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.076965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.076965 (E_RNA)
where:
Base-Base interactions energy: -46.919
where: short stacking energy: -36.163
Base-Backbone interact. energy: -0.311
local terms energy: -51.847118
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -8.323
flat angles P-C4'-P energy: -8.413
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: 8, replica: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -82.559531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.559531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.559531 (E_RNA)
where:
Base-Base interactions energy: -28.853
where: short stacking energy: -21.395
Base-Backbone interact. energy: -0.599
local terms energy: -53.106939
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -9.693
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: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -83.163771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.163771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.163771 (E_RNA)
where:
Base-Base interactions energy: -38.376
where: short stacking energy: -28.462
Base-Backbone interact. energy: -0.047
local terms energy: -44.739864
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -7.813
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -7.899
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: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -75.554586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.554586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.554586 (E_RNA)
where:
Base-Base interactions energy: -27.136
where: short stacking energy: -12.668
Base-Backbone interact. energy: -0.960
local terms energy: -47.458272
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -210.672049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.672049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.672049 (E_RNA)
where:
Base-Base interactions energy: -136.808
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.110
local terms energy: -73.754592
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -206.963522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.963522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.963522 (E_RNA)
where:
Base-Base interactions energy: -136.424
where: short stacking energy: -62.697
Base-Backbone interact. energy: -0.018
local terms energy: -70.521369
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -9.028
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: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -202.170936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.170936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.170936 (E_RNA)
where:
Base-Base interactions energy: -130.115
where: short stacking energy: -60.641
Base-Backbone interact. energy: -0.280
local terms energy: -71.775419
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -186.856914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.856914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.856914 (E_RNA)
where:
Base-Base interactions energy: -121.766
where: short stacking energy: -52.725
Base-Backbone interact. energy: -0.056
local terms energy: -65.035307
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -169.674508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.674508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.674508 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -56.020
Base-Backbone interact. energy: -0.170
local terms energy: -53.451597
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -7.394
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -8.764
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: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -105.331157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.331157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.331157 (E_RNA)
where:
Base-Base interactions energy: -51.272
where: short stacking energy: -39.304
Base-Backbone interact. energy: -0.123
local terms energy: -53.935950
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -8.016
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -9.640
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: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -91.186950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.186950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.186950 (E_RNA)
where:
Base-Base interactions energy: -36.774
where: short stacking energy: -35.834
Base-Backbone interact. energy: -0.339
local terms energy: -54.074502
where:
bonds (distance) C4'-P energy: -6.948
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -7.814
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: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -101.731502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.731502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.731502 (E_RNA)
where:
Base-Base interactions energy: -54.328
where: short stacking energy: -52.245
Base-Backbone interact. energy: -0.105
local terms energy: -47.298522
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -7.804
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -82.897943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.897943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.897943 (E_RNA)
where:
Base-Base interactions energy: -26.050
where: short stacking energy: -26.050
Base-Backbone interact. energy: -0.064
local terms energy: -56.783283
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -79.158472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.158472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.158472 (E_RNA)
where:
Base-Base interactions energy: -30.046
where: short stacking energy: -30.046
Base-Backbone interact. energy: -0.739
local terms energy: -48.372986
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -201.082085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.082085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.082085 (E_RNA)
where:
Base-Base interactions energy: -126.386
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.150
local terms energy: -74.546294
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -18.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -197.987592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.987592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.987592 (E_RNA)
where:
Base-Base interactions energy: -128.985
where: short stacking energy: -55.336
Base-Backbone interact. energy: -0.014
local terms energy: -68.988214
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -6.418
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: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -188.254057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.254057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.254057 (E_RNA)
where:
Base-Base interactions energy: -122.190
where: short stacking energy: -52.062
Base-Backbone interact. energy: -0.062
local terms energy: -66.001748
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -186.387938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.387938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.387938 (E_RNA)
where:
Base-Base interactions energy: -126.550
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.055
local terms energy: -59.783198
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -14.383
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: 5, replica: 9
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -169.001537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.001537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.001537 (E_RNA)
where:
Base-Base interactions energy: -106.289
where: short stacking energy: -36.548
Base-Backbone interact. energy: -0.652
local terms energy: -62.059985
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -12.487
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: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -113.368931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.368931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.368931 (E_RNA)
where:
Base-Base interactions energy: -56.732
where: short stacking energy: -39.950
Base-Backbone interact. energy: 0.693
local terms energy: -57.330043
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -94.116393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.116393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.116393 (E_RNA)
where:
Base-Base interactions energy: -40.830
where: short stacking energy: -31.484
Base-Backbone interact. energy: 0.297
local terms energy: -53.584024
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -83.800901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.800901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.800901 (E_RNA)
where:
Base-Base interactions energy: -34.251
where: short stacking energy: -34.251
Base-Backbone interact. energy: -1.306
local terms energy: -48.243649
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -7.637
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -87.643895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.643895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.643895 (E_RNA)
where:
Base-Base interactions energy: -31.869
where: short stacking energy: -27.461
Base-Backbone interact. energy: -0.217
local terms energy: -55.557549
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -95.572630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.572630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.572630 (E_RNA)
where:
Base-Base interactions energy: -39.859
where: short stacking energy: -36.954
Base-Backbone interact. energy: -0.161
local terms energy: -55.553213
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -216.408065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.408065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.408065 (E_RNA)
where:
Base-Base interactions energy: -139.762
where: short stacking energy: -75.756
Base-Backbone interact. energy: -0.007
local terms energy: -76.639643
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -192.125960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.125960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.125960 (E_RNA)
where:
Base-Base interactions energy: -131.080
where: short stacking energy: -64.677
Base-Backbone interact. energy: 2.116
local terms energy: -63.161861
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -4.484
tors. eta vs tors. theta energy: -12.453
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: 253
Temperature: 1.000000
Total energy: -177.346110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.346110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.346110 (E_RNA)
where:
Base-Base interactions energy: -106.963
where: short stacking energy: -56.015
Base-Backbone interact. energy: -1.001
local terms energy: -69.382393
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -193.512311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.512311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.512311 (E_RNA)
where:
Base-Base interactions energy: -126.521
where: short stacking energy: -58.848
Base-Backbone interact. energy: -0.910
local terms energy: -66.080787
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -164.083909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.083909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.083909 (E_RNA)
where:
Base-Base interactions energy: -101.917
where: short stacking energy: -51.670
Base-Backbone interact. energy: -0.149
local terms energy: -62.018549
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -101.459705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.459705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.459705 (E_RNA)
where:
Base-Base interactions energy: -49.715
where: short stacking energy: -47.246
Base-Backbone interact. energy: 0.397
local terms energy: -52.141270
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -10.061
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -10.911
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: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -103.855357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.855357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.855357 (E_RNA)
where:
Base-Base interactions energy: -58.906
where: short stacking energy: -28.512
Base-Backbone interact. energy: -0.223
local terms energy: -44.726005
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -7.675
flat angles P-C4'-P energy: -5.481
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: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -108.980729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.980729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.980729 (E_RNA)
where:
Base-Base interactions energy: -61.051
where: short stacking energy: -38.645
Base-Backbone interact. energy: 1.824
local terms energy: -49.754362
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -124.841854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.841854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.841854 (E_RNA)
where:
Base-Base interactions energy: -71.279
where: short stacking energy: -42.444
Base-Backbone interact. energy: -0.019
local terms energy: -53.543612
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -9.531
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -91.235924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.235924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.235924 (E_RNA)
where:
Base-Base interactions energy: -40.082
where: short stacking energy: -28.985
Base-Backbone interact. energy: -0.164
local terms energy: -50.989210
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -5.279
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: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -217.346815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.346815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.346815 (E_RNA)
where:
Base-Base interactions energy: -141.183
where: short stacking energy: -68.298
Base-Backbone interact. energy: -0.183
local terms energy: -75.981068
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -191.773696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.773696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.773696 (E_RNA)
where:
Base-Base interactions energy: -125.167
where: short stacking energy: -49.821
Base-Backbone interact. energy: -0.094
local terms energy: -66.512114
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -12.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -195.450337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.450337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.450337 (E_RNA)
where:
Base-Base interactions energy: -127.288
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.025
local terms energy: -68.137788
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -15.991
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: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -164.742236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.742236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.742236 (E_RNA)
where:
Base-Base interactions energy: -100.688
where: short stacking energy: -53.342
Base-Backbone interact. energy: -0.013
local terms energy: -64.040799
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -10.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -178.127884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.127884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.127884 (E_RNA)
where:
Base-Base interactions energy: -99.126
where: short stacking energy: -59.103
Base-Backbone interact. energy: -0.498
local terms energy: -78.503379
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -102.014346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.014346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.014346 (E_RNA)
where:
Base-Base interactions energy: -47.210
where: short stacking energy: -36.249
Base-Backbone interact. energy: -0.284
local terms energy: -54.520660
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -6.401
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -91.098860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.098860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.098860 (E_RNA)
where:
Base-Base interactions energy: -43.764
where: short stacking energy: -33.225
Base-Backbone interact. energy: -0.327
local terms energy: -47.008352
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -98.822734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.822734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.822734 (E_RNA)
where:
Base-Base interactions energy: -51.317
where: short stacking energy: -29.381
Base-Backbone interact. energy: -0.012
local terms energy: -47.493361
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -96.360769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.360769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.360769 (E_RNA)
where:
Base-Base interactions energy: -48.571
where: short stacking energy: -33.374
Base-Backbone interact. energy: -0.610
local terms energy: -47.179560
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -9.225
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: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -102.578687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.578687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.578687 (E_RNA)
where:
Base-Base interactions energy: -42.135
where: short stacking energy: -38.532
Base-Backbone interact. energy: -0.106
local terms energy: -60.338070
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -217.896128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.896128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.896128 (E_RNA)
where:
Base-Base interactions energy: -132.058
where: short stacking energy: -75.061
Base-Backbone interact. energy: -0.000
local terms energy: -85.837852
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -182.058331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.058331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.058331 (E_RNA)
where:
Base-Base interactions energy: -128.760
where: short stacking energy: -53.096
Base-Backbone interact. energy: -0.029
local terms energy: -53.269387
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -199.580056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.580056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.580056 (E_RNA)
where:
Base-Base interactions energy: -127.554
where: short stacking energy: -62.727
Base-Backbone interact. energy: -0.073
local terms energy: -71.952975
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -183.125298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.125298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.125298 (E_RNA)
where:
Base-Base interactions energy: -127.218
where: short stacking energy: -50.056
Base-Backbone interact. energy: -0.088
local terms energy: -55.819166
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -11.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -141.778179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.778179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.778179 (E_RNA)
where:
Base-Base interactions energy: -78.872
where: short stacking energy: -41.944
Base-Backbone interact. energy: -0.088
local terms energy: -62.818180
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -11.933
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: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -116.489740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.489740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.489740 (E_RNA)
where:
Base-Base interactions energy: -57.013
where: short stacking energy: -48.553
Base-Backbone interact. energy: -0.011
local terms energy: -59.465389
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -99.457675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.457675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.457675 (E_RNA)
where:
Base-Base interactions energy: -47.269
where: short stacking energy: -30.030
Base-Backbone interact. energy: -0.138
local terms energy: -52.050166
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -7.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -93.155703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.155703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.155703 (E_RNA)
where:
Base-Base interactions energy: -43.140
where: short stacking energy: -43.140
Base-Backbone interact. energy: -0.032
local terms energy: -49.984364
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -8.633
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: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -87.485996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.485996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.485996 (E_RNA)
where:
Base-Base interactions energy: -35.457
where: short stacking energy: -35.457
Base-Backbone interact. energy: 0.164
local terms energy: -52.192727
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -76.149099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.149099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.149099 (E_RNA)
where:
Base-Base interactions energy: -36.684
where: short stacking energy: -34.046
Base-Backbone interact. energy: -0.349
local terms energy: -39.115975
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -7.387
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -0.164
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: 256
Temperature: 0.900000
Total energy: -213.979280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.979280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.979280 (E_RNA)
where:
Base-Base interactions energy: -134.991
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.005
local terms energy: -78.983292
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -190.487453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.487453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.487453 (E_RNA)
where:
Base-Base interactions energy: -116.577
where: short stacking energy: -65.476
Base-Backbone interact. energy: 0.731
local terms energy: -74.641935
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -11.438
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: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -178.319903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.319903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.319903 (E_RNA)
where:
Base-Base interactions energy: -113.830
where: short stacking energy: -60.030
Base-Backbone interact. energy: -0.024
local terms energy: -64.466408
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -9.602
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: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -197.345668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.345668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.345668 (E_RNA)
where:
Base-Base interactions energy: -135.417
where: short stacking energy: -56.007
Base-Backbone interact. energy: -0.054
local terms energy: -61.875258
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -112.326772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.326772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.326772 (E_RNA)
where:
Base-Base interactions energy: -56.430
where: short stacking energy: -34.916
Base-Backbone interact. energy: -0.046
local terms energy: -55.850870
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -139.630616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.630616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.630616 (E_RNA)
where:
Base-Base interactions energy: -80.186
where: short stacking energy: -45.079
Base-Backbone interact. energy: -0.109
local terms energy: -59.335706
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -10.689
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: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -100.706865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.706865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.706865 (E_RNA)
where:
Base-Base interactions energy: -45.416
where: short stacking energy: -26.919
Base-Backbone interact. energy: -0.015
local terms energy: -55.276342
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -90.094806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.094806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.094806 (E_RNA)
where:
Base-Base interactions energy: -39.954
where: short stacking energy: -25.008
Base-Backbone interact. energy: -0.520
local terms energy: -49.620480
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: 0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -83.125555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.125555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.125555 (E_RNA)
where:
Base-Base interactions energy: -41.516
where: short stacking energy: -36.090
Base-Backbone interact. energy: -0.221
local terms energy: -41.389250
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -8.912
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -78.157122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.157122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.157122 (E_RNA)
where:
Base-Base interactions energy: -33.748
where: short stacking energy: -32.993
Base-Backbone interact. energy: -0.102
local terms energy: -44.307009
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -203.587840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.587840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.587840 (E_RNA)
where:
Base-Base interactions energy: -136.578
where: short stacking energy: -62.788
Base-Backbone interact. energy: -0.530
local terms energy: -66.479775
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -181.396126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.396126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.396126 (E_RNA)
where:
Base-Base interactions energy: -119.155
where: short stacking energy: -58.807
Base-Backbone interact. energy: -0.039
local terms energy: -62.202075
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -166.287702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.287702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.287702 (E_RNA)
where:
Base-Base interactions energy: -97.799
where: short stacking energy: -44.624
Base-Backbone interact. energy: -0.476
local terms energy: -68.012993
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -181.045445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.045445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.045445 (E_RNA)
where:
Base-Base interactions energy: -111.013
where: short stacking energy: -52.587
Base-Backbone interact. energy: -0.112
local terms energy: -69.919582
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -12.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -99.977431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.977431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.977431 (E_RNA)
where:
Base-Base interactions energy: -43.214
where: short stacking energy: -36.976
Base-Backbone interact. energy: -0.327
local terms energy: -56.436944
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -6.277
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: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -152.339042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.339042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.339042 (E_RNA)
where:
Base-Base interactions energy: -93.345
where: short stacking energy: -50.214
Base-Backbone interact. energy: -0.029
local terms energy: -58.965231
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -15.365
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: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -99.507282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.507282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.507282 (E_RNA)
where:
Base-Base interactions energy: -49.542
where: short stacking energy: -28.222
Base-Backbone interact. energy: -0.530
local terms energy: -49.435798
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: 0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -95.759249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.759249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.759249 (E_RNA)
where:
Base-Base interactions energy: -41.644
where: short stacking energy: -41.631
Base-Backbone interact. energy: -0.226
local terms energy: -53.889736
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -11.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -87.728873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.728873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.728873 (E_RNA)
where:
Base-Base interactions energy: -38.120
where: short stacking energy: -38.120
Base-Backbone interact. energy: -0.194
local terms energy: -49.415357
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -6.389
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -96.169442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.169442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.169442 (E_RNA)
where:
Base-Base interactions energy: -41.922
where: short stacking energy: -33.460
Base-Backbone interact. energy: 1.541
local terms energy: -55.788787
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -6.802
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: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -207.366070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.366070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.366070 (E_RNA)
where:
Base-Base interactions energy: -135.895
where: short stacking energy: -52.829
Base-Backbone interact. energy: -0.101
local terms energy: -71.370729
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -14.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -200.887701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.887701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.887701 (E_RNA)
where:
Base-Base interactions energy: -128.997
where: short stacking energy: -58.639
Base-Backbone interact. energy: -0.014
local terms energy: -71.877516
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -195.990073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.990073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.990073 (E_RNA)
where:
Base-Base interactions energy: -131.061
where: short stacking energy: -64.506
Base-Backbone interact. energy: -0.091
local terms energy: -64.838123
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -168.806875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.806875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.806875 (E_RNA)
where:
Base-Base interactions energy: -104.081
where: short stacking energy: -51.564
Base-Backbone interact. energy: -0.218
local terms energy: -64.508062
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -10.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -155.860601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.860601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.860601 (E_RNA)
where:
Base-Base interactions energy: -97.964
where: short stacking energy: -48.113
Base-Backbone interact. energy: -1.043
local terms energy: -56.853185
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -5.147
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: 6, replica: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -97.633743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.633743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.633743 (E_RNA)
where:
Base-Base interactions energy: -45.898
where: short stacking energy: -44.577
Base-Backbone interact. energy: -0.335
local terms energy: -51.401024
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -5.995
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: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -110.539295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.539295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.539295 (E_RNA)
where:
Base-Base interactions energy: -46.548
where: short stacking energy: -36.048
Base-Backbone interact. energy: -0.010
local terms energy: -63.981422
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -11.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -89.294283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.294283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.294283 (E_RNA)
where:
Base-Base interactions energy: -38.060
where: short stacking energy: -30.416
Base-Backbone interact. energy: -0.158
local terms energy: -51.076314
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -98.354774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.354774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.354774 (E_RNA)
where:
Base-Base interactions energy: -43.220
where: short stacking energy: -28.260
Base-Backbone interact. energy: -0.214
local terms energy: -54.920267
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -77.432784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.432784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.432784 (E_RNA)
where:
Base-Base interactions energy: -26.051
where: short stacking energy: -21.573
Base-Backbone interact. energy: -0.290
local terms energy: -51.091962
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -211.514136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.514136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.514136 (E_RNA)
where:
Base-Base interactions energy: -137.129
where: short stacking energy: -62.809
Base-Backbone interact. energy: -0.121
local terms energy: -74.263946
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -184.094229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.094229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.094229 (E_RNA)
where:
Base-Base interactions energy: -117.432
where: short stacking energy: -62.206
Base-Backbone interact. energy: -0.003
local terms energy: -66.659531
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -8.069
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: 3, replica: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -190.501442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.501442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.501442 (E_RNA)
where:
Base-Base interactions energy: -120.883
where: short stacking energy: -59.257
Base-Backbone interact. energy: -0.029
local terms energy: -69.588831
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -166.072605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.072605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.072605 (E_RNA)
where:
Base-Base interactions energy: -103.209
where: short stacking energy: -61.907
Base-Backbone interact. energy: 0.181
local terms energy: -63.044442
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -172.257066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.257066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.257066 (E_RNA)
where:
Base-Base interactions energy: -117.302
where: short stacking energy: -55.668
Base-Backbone interact. energy: -0.110
local terms energy: -54.845280
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -11.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -107.009033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.009033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.009033 (E_RNA)
where:
Base-Base interactions energy: -43.702
where: short stacking energy: -43.702
Base-Backbone interact. energy: -0.038
local terms energy: -63.269248
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -9.003
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: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -85.660537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.660537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.660537 (E_RNA)
where:
Base-Base interactions energy: -36.546
where: short stacking energy: -20.918
Base-Backbone interact. energy: -0.084
local terms energy: -49.029873
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: 1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -91.051139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.051139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.051139 (E_RNA)
where:
Base-Base interactions energy: -35.469
where: short stacking energy: -35.469
Base-Backbone interact. energy: -0.448
local terms energy: -55.133970
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -79.113893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.113893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.113893 (E_RNA)
where:
Base-Base interactions energy: -29.232
where: short stacking energy: -29.232
Base-Backbone interact. energy: -0.024
local terms energy: -49.858049
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -80.985593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.985593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.985593 (E_RNA)
where:
Base-Base interactions energy: -37.300
where: short stacking energy: -24.357
Base-Backbone interact. energy: -0.160
local terms energy: -43.525644
where:
bonds (distance) C4'-P energy: -5.957
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -223.491631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.491631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.491631 (E_RNA)
where:
Base-Base interactions energy: -148.932
where: short stacking energy: -73.090
Base-Backbone interact. energy: -0.081
local terms energy: -74.478831
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -196.692837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.692837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.692837 (E_RNA)
where:
Base-Base interactions energy: -124.897
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.027
local terms energy: -71.769725
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -183.487800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.487800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.487800 (E_RNA)
where:
Base-Base interactions energy: -123.961
where: short stacking energy: -44.568
Base-Backbone interact. energy: -0.070
local terms energy: -59.456473
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -9.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -178.003195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.003195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.003195 (E_RNA)
where:
Base-Base interactions energy: -105.111
where: short stacking energy: -60.128
Base-Backbone interact. energy: -1.564
local terms energy: -71.327919
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -177.898838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.898838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.898838 (E_RNA)
where:
Base-Base interactions energy: -117.888
where: short stacking energy: -51.440
Base-Backbone interact. energy: -0.068
local terms energy: -59.942907
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: 0.896
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: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -96.324831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.324831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.324831 (E_RNA)
where:
Base-Base interactions energy: -38.806
where: short stacking energy: -38.806
Base-Backbone interact. energy: -0.121
local terms energy: -57.397058
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -102.547183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.547183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.547183 (E_RNA)
where:
Base-Base interactions energy: -40.277
where: short stacking energy: -40.266
Base-Backbone interact. energy: -0.049
local terms energy: -62.221379
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -8.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -114.099347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.099347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.099347 (E_RNA)
where:
Base-Base interactions energy: -60.986
where: short stacking energy: -29.609
Base-Backbone interact. energy: -0.592
local terms energy: -52.521450
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -7.804
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -98.447289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.447289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.447289 (E_RNA)
where:
Base-Base interactions energy: -46.977
where: short stacking energy: -39.243
Base-Backbone interact. energy: -0.392
local terms energy: -51.077879
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -80.221484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.221484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.221484 (E_RNA)
where:
Base-Base interactions energy: -44.428
where: short stacking energy: -27.231
Base-Backbone interact. energy: -0.505
local terms energy: -35.288823
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -4.038
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: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -209.759010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.759010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.759010 (E_RNA)
where:
Base-Base interactions energy: -132.900
where: short stacking energy: -64.310
Base-Backbone interact. energy: -0.013
local terms energy: -76.846290
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -12.923
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: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -195.613456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.613456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.613456 (E_RNA)
where:
Base-Base interactions energy: -126.300
where: short stacking energy: -68.487
Base-Backbone interact. energy: 0.719
local terms energy: -70.033004
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -198.471980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.471980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.471980 (E_RNA)
where:
Base-Base interactions energy: -124.274
where: short stacking energy: -59.273
Base-Backbone interact. energy: 0.187
local terms energy: -74.385013
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -174.567294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.567294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.567294 (E_RNA)
where:
Base-Base interactions energy: -105.406
where: short stacking energy: -62.735
Base-Backbone interact. energy: -0.008
local terms energy: -69.153576
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -156.421520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.421520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.421520 (E_RNA)
where:
Base-Base interactions energy: -91.206
where: short stacking energy: -51.285
Base-Backbone interact. energy: -0.035
local terms energy: -65.180181
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -103.432061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.432061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.432061 (E_RNA)
where:
Base-Base interactions energy: -46.357
where: short stacking energy: -43.793
Base-Backbone interact. energy: -0.052
local terms energy: -57.022649
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -6.883
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: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -92.007411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.007411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.007411 (E_RNA)
where:
Base-Base interactions energy: -42.530
where: short stacking energy: -18.262
Base-Backbone interact. energy: -0.238
local terms energy: -49.239771
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -7.666
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: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -84.531171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.531171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.531171 (E_RNA)
where:
Base-Base interactions energy: -34.700
where: short stacking energy: -32.467
Base-Backbone interact. energy: -0.338
local terms energy: -49.493324
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -8.727
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -3.255
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: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -80.664862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.664862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.664862 (E_RNA)
where:
Base-Base interactions energy: -34.124
where: short stacking energy: -22.400
Base-Backbone interact. energy: -0.560
local terms energy: -45.981032
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: 2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -84.503061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.503061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.503061 (E_RNA)
where:
Base-Base interactions energy: -37.477
where: short stacking energy: -26.225
Base-Backbone interact. energy: -0.919
local terms energy: -46.107173
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -9.451
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -205.531605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.531605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.531605 (E_RNA)
where:
Base-Base interactions energy: -131.238
where: short stacking energy: -70.818
Base-Backbone interact. energy: -0.209
local terms energy: -74.084666
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -189.557211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.557211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.557211 (E_RNA)
where:
Base-Base interactions energy: -124.243
where: short stacking energy: -53.409
Base-Backbone interact. energy: -0.788
local terms energy: -64.526296
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -171.552881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.552881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.552881 (E_RNA)
where:
Base-Base interactions energy: -103.318
where: short stacking energy: -60.574
Base-Backbone interact. energy: -0.058
local terms energy: -68.176361
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -184.228365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.228365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.228365 (E_RNA)
where:
Base-Base interactions energy: -121.305
where: short stacking energy: -46.296
Base-Backbone interact. energy: -0.697
local terms energy: -62.226710
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -10.807
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: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -176.686248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.686248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.686248 (E_RNA)
where:
Base-Base interactions energy: -115.754
where: short stacking energy: -45.315
Base-Backbone interact. energy: -0.039
local terms energy: -60.892706
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -99.803466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.803466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.803466 (E_RNA)
where:
Base-Base interactions energy: -47.644
where: short stacking energy: -35.398
Base-Backbone interact. energy: -0.128
local terms energy: -52.031398
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -107.018906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.018906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.018906 (E_RNA)
where:
Base-Base interactions energy: -53.202
where: short stacking energy: -29.692
Base-Backbone interact. energy: -1.000
local terms energy: -52.816385
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -91.615288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.615288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.615288 (E_RNA)
where:
Base-Base interactions energy: -37.215
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.214
local terms energy: -54.186004
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -7.198
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -82.536823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.536823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.536823 (E_RNA)
where:
Base-Base interactions energy: -29.045
where: short stacking energy: -27.823
Base-Backbone interact. energy: 0.120
local terms energy: -53.611937
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -8.327
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: 10, replica: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -84.043532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.043532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.043532 (E_RNA)
where:
Base-Base interactions energy: -31.856
where: short stacking energy: -31.856
Base-Backbone interact. energy: -0.108
local terms energy: -52.079664
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -203.385960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.385960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.385960 (E_RNA)
where:
Base-Base interactions energy: -131.082
where: short stacking energy: -65.085
Base-Backbone interact. energy: -0.002
local terms energy: -72.301912
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -194.241340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.241340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.241340 (E_RNA)
where:
Base-Base interactions energy: -131.104
where: short stacking energy: -61.959
Base-Backbone interact. energy: 0.617
local terms energy: -63.754806
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -15.066
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: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -191.977217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.977217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.977217 (E_RNA)
where:
Base-Base interactions energy: -125.724
where: short stacking energy: -61.692
Base-Backbone interact. energy: 1.182
local terms energy: -67.435864
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -177.544349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.544349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.544349 (E_RNA)
where:
Base-Base interactions energy: -111.046
where: short stacking energy: -56.320
Base-Backbone interact. energy: -0.171
local terms energy: -66.327559
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -187.569955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.569955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.569955 (E_RNA)
where:
Base-Base interactions energy: -113.289
where: short stacking energy: -52.510
Base-Backbone interact. energy: -0.294
local terms energy: -73.987342
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -97.790126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.790126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.790126 (E_RNA)
where:
Base-Base interactions energy: -41.260
where: short stacking energy: -37.431
Base-Backbone interact. energy: -0.293
local terms energy: -56.237416
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -7.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -88.085876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.085876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.085876 (E_RNA)
where:
Base-Base interactions energy: -37.925
where: short stacking energy: -37.057
Base-Backbone interact. energy: -0.058
local terms energy: -50.102657
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -86.454663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.454663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.454663 (E_RNA)
where:
Base-Base interactions energy: -30.220
where: short stacking energy: -27.896
Base-Backbone interact. energy: -0.227
local terms energy: -56.008108
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -92.243147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.243147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.243147 (E_RNA)
where:
Base-Base interactions energy: -49.266
where: short stacking energy: -36.119
Base-Backbone interact. energy: 1.209
local terms energy: -44.186009
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -7.697
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -81.773300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.773300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.773300 (E_RNA)
where:
Base-Base interactions energy: -29.766
where: short stacking energy: -25.769
Base-Backbone interact. energy: -0.140
local terms energy: -51.867839
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -212.650357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.650357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.650357 (E_RNA)
where:
Base-Base interactions energy: -137.827
where: short stacking energy: -64.644
Base-Backbone interact. energy: -0.002
local terms energy: -74.821682
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -13.802
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: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -196.295799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.295799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.295799 (E_RNA)
where:
Base-Base interactions energy: -132.482
where: short stacking energy: -60.573
Base-Backbone interact. energy: -0.123
local terms energy: -63.690912
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -12.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -194.615024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.615024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.615024 (E_RNA)
where:
Base-Base interactions energy: -129.676
where: short stacking energy: -59.130
Base-Backbone interact. energy: -0.330
local terms energy: -64.608814
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -177.050235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.050235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.050235 (E_RNA)
where:
Base-Base interactions energy: -111.669
where: short stacking energy: -52.583
Base-Backbone interact. energy: -0.462
local terms energy: -64.919294
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -158.746593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.746593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.746593 (E_RNA)
where:
Base-Base interactions energy: -91.877
where: short stacking energy: -50.239
Base-Backbone interact. energy: -0.101
local terms energy: -66.768401
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -117.546113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.546113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.546113 (E_RNA)
where:
Base-Base interactions energy: -65.801
where: short stacking energy: -45.667
Base-Backbone interact. energy: -0.139
local terms energy: -51.606100
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -99.978724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.978724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.978724 (E_RNA)
where:
Base-Base interactions energy: -47.546
where: short stacking energy: -24.355
Base-Backbone interact. energy: -0.419
local terms energy: -52.013487
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -7.957
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: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -80.420148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.420148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.420148 (E_RNA)
where:
Base-Base interactions energy: -31.839
where: short stacking energy: -28.981
Base-Backbone interact. energy: -0.140
local terms energy: -48.441198
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -9.310
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: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -107.040455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.040455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.040455 (E_RNA)
where:
Base-Base interactions energy: -46.091
where: short stacking energy: -46.033
Base-Backbone interact. energy: -0.125
local terms energy: -60.824096
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -12.911
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: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -81.744107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.744107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.744107 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -32.383
Base-Backbone interact. energy: 0.593
local terms energy: -49.953634
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -211.475754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.475754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.475754 (E_RNA)
where:
Base-Base interactions energy: -140.859
where: short stacking energy: -67.132
Base-Backbone interact. energy: -0.770
local terms energy: -69.846415
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -17.719
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: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -199.101723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.101723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.101723 (E_RNA)
where:
Base-Base interactions energy: -129.968
where: short stacking energy: -61.617
Base-Backbone interact. energy: -0.019
local terms energy: -69.114707
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -184.751639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.751639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.751639 (E_RNA)
where:
Base-Base interactions energy: -123.953
where: short stacking energy: -63.281
Base-Backbone interact. energy: -0.005
local terms energy: -60.792993
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -188.061031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.061031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.061031 (E_RNA)
where:
Base-Base interactions energy: -122.264
where: short stacking energy: -53.038
Base-Backbone interact. energy: -0.044
local terms energy: -65.753331
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -169.143558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.143558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.143558 (E_RNA)
where:
Base-Base interactions energy: -101.260
where: short stacking energy: -47.084
Base-Backbone interact. energy: -0.107
local terms energy: -67.776413
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -10.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -104.635260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.635260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.635260 (E_RNA)
where:
Base-Base interactions energy: -54.013
where: short stacking energy: -31.315
Base-Backbone interact. energy: -0.336
local terms energy: -50.285742
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -162.117183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.117183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.117183 (E_RNA)
where:
Base-Base interactions energy: -96.015
where: short stacking energy: -50.183
Base-Backbone interact. energy: -0.567
local terms energy: -65.535511
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -10.000
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: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -96.089545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.089545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.089545 (E_RNA)
where:
Base-Base interactions energy: -42.769
where: short stacking energy: -28.909
Base-Backbone interact. energy: -0.824
local terms energy: -52.496522
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -1.880
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: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -87.451290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.451290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.451290 (E_RNA)
where:
Base-Base interactions energy: -38.294
where: short stacking energy: -38.294
Base-Backbone interact. energy: -0.086
local terms energy: -49.070551
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -88.085147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.085147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.085147 (E_RNA)
where:
Base-Base interactions energy: -42.260
where: short stacking energy: -31.917
Base-Backbone interact. energy: -0.064
local terms energy: -45.760944
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -1.383
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: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -214.006009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.006009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.006009 (E_RNA)
where:
Base-Base interactions energy: -141.471
where: short stacking energy: -59.829
Base-Backbone interact. energy: -0.011
local terms energy: -72.524286
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -16.345
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: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -201.229127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.229127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.229127 (E_RNA)
where:
Base-Base interactions energy: -133.156
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.304
local terms energy: -67.768288
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -198.448736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.448736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.448736 (E_RNA)
where:
Base-Base interactions energy: -127.383
where: short stacking energy: -61.406
Base-Backbone interact. energy: -0.069
local terms energy: -70.996944
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -13.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -160.680653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.680653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.680653 (E_RNA)
where:
Base-Base interactions energy: -94.262
where: short stacking energy: -39.592
Base-Backbone interact. energy: -0.184
local terms energy: -66.234561
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -11.002
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: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -161.167058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.167058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.167058 (E_RNA)
where:
Base-Base interactions energy: -96.917
where: short stacking energy: -31.436
Base-Backbone interact. energy: -0.205
local terms energy: -64.045110
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -10.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -93.015619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.015619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.015619 (E_RNA)
where:
Base-Base interactions energy: -38.907
where: short stacking energy: -25.746
Base-Backbone interact. energy: -0.844
local terms energy: -53.264646
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -3.990
tors. eta vs tors. theta energy: -6.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -144.095957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.095957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.095957 (E_RNA)
where:
Base-Base interactions energy: -79.235
where: short stacking energy: -40.320
Base-Backbone interact. energy: -0.395
local terms energy: -64.465427
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -105.685001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.685001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.685001 (E_RNA)
where:
Base-Base interactions energy: -48.543
where: short stacking energy: -36.471
Base-Backbone interact. energy: 0.534
local terms energy: -57.675443
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -4.902
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: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -83.228377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.228377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.228377 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -21.689
Base-Backbone interact. energy: -0.163
local terms energy: -47.383828
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -79.512974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.512974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.512974 (E_RNA)
where:
Base-Base interactions energy: -31.387
where: short stacking energy: -11.787
Base-Backbone interact. energy: -0.149
local terms energy: -47.977320
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: 2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -206.367213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.367213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.367213 (E_RNA)
where:
Base-Base interactions energy: -135.651
where: short stacking energy: -65.324
Base-Backbone interact. energy: -0.017
local terms energy: -70.699256
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -15.768
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: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -196.827050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.827050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.827050 (E_RNA)
where:
Base-Base interactions energy: -121.157
where: short stacking energy: -62.675
Base-Backbone interact. energy: 0.446
local terms energy: -76.116358
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -196.376548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.376548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.376548 (E_RNA)
where:
Base-Base interactions energy: -129.671
where: short stacking energy: -54.191
Base-Backbone interact. energy: -0.574
local terms energy: -66.131385
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -171.352932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.352932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.352932 (E_RNA)
where:
Base-Base interactions energy: -106.117
where: short stacking energy: -62.561
Base-Backbone interact. energy: -0.027
local terms energy: -65.209008
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -14.312
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: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -174.151010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.151010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.151010 (E_RNA)
where:
Base-Base interactions energy: -100.660
where: short stacking energy: -52.428
Base-Backbone interact. energy: -0.008
local terms energy: -73.483258
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -11.913
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: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -137.088827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.088827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.088827 (E_RNA)
where:
Base-Base interactions energy: -82.985
where: short stacking energy: -41.145
Base-Backbone interact. energy: -0.468
local terms energy: -53.635578
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -1.251
tors. eta vs tors. theta energy: -1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -107.577567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.577567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.577567 (E_RNA)
where:
Base-Base interactions energy: -51.688
where: short stacking energy: -21.170
Base-Backbone interact. energy: -0.665
local terms energy: -55.224117
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -92.968883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.968883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.968883 (E_RNA)
where:
Base-Base interactions energy: -33.936
where: short stacking energy: -33.936
Base-Backbone interact. energy: -0.007
local terms energy: -59.026392
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -86.530910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.530910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.530910 (E_RNA)
where:
Base-Base interactions energy: -33.485
where: short stacking energy: -12.325
Base-Backbone interact. energy: -0.594
local terms energy: -52.452167
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: 1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -76.220326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.220326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.220326 (E_RNA)
where:
Base-Base interactions energy: -33.400
where: short stacking energy: -26.728
Base-Backbone interact. energy: -0.558
local terms energy: -42.262303
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -0.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -200.731537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.731537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.731537 (E_RNA)
where:
Base-Base interactions energy: -130.719
where: short stacking energy: -61.770
Base-Backbone interact. energy: -1.091
local terms energy: -68.921832
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -197.663944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.663944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.663944 (E_RNA)
where:
Base-Base interactions energy: -127.722
where: short stacking energy: -51.008
Base-Backbone interact. energy: -0.037
local terms energy: -69.904917
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -196.153004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.153004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.153004 (E_RNA)
where:
Base-Base interactions energy: -122.744
where: short stacking energy: -57.897
Base-Backbone interact. energy: -0.773
local terms energy: -72.635466
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -162.832299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.832299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.832299 (E_RNA)
where:
Base-Base interactions energy: -97.409
where: short stacking energy: -49.354
Base-Backbone interact. energy: -0.396
local terms energy: -65.027325
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -163.429942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.429942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.429942 (E_RNA)
where:
Base-Base interactions energy: -95.308
where: short stacking energy: -49.360
Base-Backbone interact. energy: 0.083
local terms energy: -68.204976
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -8.989
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: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -100.431450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.431450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.431450 (E_RNA)
where:
Base-Base interactions energy: -40.012
where: short stacking energy: -39.474
Base-Backbone interact. energy: -0.177
local terms energy: -60.242620
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -94.443974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.443974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.443974 (E_RNA)
where:
Base-Base interactions energy: -42.759
where: short stacking energy: -41.642
Base-Backbone interact. energy: 1.446
local terms energy: -53.130391
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -118.893548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.893548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.893548 (E_RNA)
where:
Base-Base interactions energy: -64.333
where: short stacking energy: -34.789
Base-Backbone interact. energy: -0.115
local terms energy: -54.445595
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -4.873
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: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -99.170807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.170807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.170807 (E_RNA)
where:
Base-Base interactions energy: -38.286
where: short stacking energy: -32.965
Base-Backbone interact. energy: 0.243
local terms energy: -61.128099
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -7.263
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: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -86.062341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.062341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.062341 (E_RNA)
where:
Base-Base interactions energy: -35.393
where: short stacking energy: -30.137
Base-Backbone interact. energy: -0.296
local terms energy: -50.372915
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -202.372689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.372689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.372689 (E_RNA)
where:
Base-Base interactions energy: -129.743
where: short stacking energy: -65.292
Base-Backbone interact. energy: -1.402
local terms energy: -71.227737
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -200.909390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.909390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.909390 (E_RNA)
where:
Base-Base interactions energy: -131.405
where: short stacking energy: -69.895
Base-Backbone interact. energy: -0.297
local terms energy: -69.207534
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -201.271279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.271279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.271279 (E_RNA)
where:
Base-Base interactions energy: -138.364
where: short stacking energy: -55.078
Base-Backbone interact. energy: -0.632
local terms energy: -62.275541
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -166.036879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.036879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.036879 (E_RNA)
where:
Base-Base interactions energy: -100.832
where: short stacking energy: -52.379
Base-Backbone interact. energy: -0.382
local terms energy: -64.822267
where:
bonds (distance) C4'-P energy: -7.926
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -160.788607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.788607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.788607 (E_RNA)
where:
Base-Base interactions energy: -99.263
where: short stacking energy: -49.182
Base-Backbone interact. energy: -1.311
local terms energy: -60.214684
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -12.957
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: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -100.297004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.297004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.297004 (E_RNA)
where:
Base-Base interactions energy: -40.320
where: short stacking energy: -29.868
Base-Backbone interact. energy: 1.626
local terms energy: -61.602451
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -7.184
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: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -92.583217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.583217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.583217 (E_RNA)
where:
Base-Base interactions energy: -37.841
where: short stacking energy: -35.476
Base-Backbone interact. energy: -0.099
local terms energy: -54.643290
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -102.089198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.089198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.089198 (E_RNA)
where:
Base-Base interactions energy: -60.076
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.442
local terms energy: -41.571990
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -86.131386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.131386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.131386 (E_RNA)
where:
Base-Base interactions energy: -32.008
where: short stacking energy: -25.689
Base-Backbone interact. energy: -0.202
local terms energy: -53.921934
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -1.127
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: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -87.155231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.155231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.155231 (E_RNA)
where:
Base-Base interactions energy: -35.230
where: short stacking energy: -28.039
Base-Backbone interact. energy: 0.275
local terms energy: -52.200252
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -202.201164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.201164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.201164 (E_RNA)
where:
Base-Base interactions energy: -139.739
where: short stacking energy: -63.028
Base-Backbone interact. energy: -0.084
local terms energy: -62.377841
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -17.600
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: 5
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -196.185096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.185096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.185096 (E_RNA)
where:
Base-Base interactions energy: -126.808
where: short stacking energy: -58.227
Base-Backbone interact. energy: -1.018
local terms energy: -68.359289
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -6.785
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: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -199.753210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.753210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.753210 (E_RNA)
where:
Base-Base interactions energy: -130.899
where: short stacking energy: -56.833
Base-Backbone interact. energy: -0.076
local terms energy: -68.778189
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -9.492
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: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -172.885179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.885179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.885179 (E_RNA)
where:
Base-Base interactions energy: -107.579
where: short stacking energy: -51.678
Base-Backbone interact. energy: -0.132
local terms energy: -65.174197
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -7.137
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: 5, replica: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -164.110742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.110742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.110742 (E_RNA)
where:
Base-Base interactions energy: -95.657
where: short stacking energy: -49.863
Base-Backbone interact. energy: -1.305
local terms energy: -67.148731
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -14.911
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: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -100.947196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.947196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.947196 (E_RNA)
where:
Base-Base interactions energy: -40.490
where: short stacking energy: -35.873
Base-Backbone interact. energy: 0.661
local terms energy: -61.118636
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -89.149488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.149488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.149488 (E_RNA)
where:
Base-Base interactions energy: -30.261
where: short stacking energy: -20.929
Base-Backbone interact. energy: -0.053
local terms energy: -58.835617
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -103.798736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.798736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.798736 (E_RNA)
where:
Base-Base interactions energy: -58.825
where: short stacking energy: -35.996
Base-Backbone interact. energy: -1.534
local terms energy: -43.439511
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -2.151
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -83.190214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.190214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.190214 (E_RNA)
where:
Base-Base interactions energy: -29.011
where: short stacking energy: -24.885
Base-Backbone interact. energy: -0.204
local terms energy: -53.975297
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -10.499
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: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -86.455735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.455735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.455735 (E_RNA)
where:
Base-Base interactions energy: -35.670
where: short stacking energy: -30.783
Base-Backbone interact. energy: -0.037
local terms energy: -50.749121
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -216.527602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.527602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.527602 (E_RNA)
where:
Base-Base interactions energy: -145.898
where: short stacking energy: -59.939
Base-Backbone interact. energy: -0.027
local terms energy: -70.602211
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -198.072053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.072053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.072053 (E_RNA)
where:
Base-Base interactions energy: -125.371
where: short stacking energy: -58.706
Base-Backbone interact. energy: 0.325
local terms energy: -73.026251
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -198.654612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.654612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.654612 (E_RNA)
where:
Base-Base interactions energy: -129.305
where: short stacking energy: -70.879
Base-Backbone interact. energy: -0.002
local terms energy: -69.347533
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -163.837985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.837985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.837985 (E_RNA)
where:
Base-Base interactions energy: -105.378
where: short stacking energy: -48.728
Base-Backbone interact. energy: -0.184
local terms energy: -58.276195
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -8.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -167.814987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.814987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.814987 (E_RNA)
where:
Base-Base interactions energy: -108.778
where: short stacking energy: -52.715
Base-Backbone interact. energy: 0.258
local terms energy: -59.294692
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -90.449327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.449327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.449327 (E_RNA)
where:
Base-Base interactions energy: -39.932
where: short stacking energy: -36.126
Base-Backbone interact. energy: -0.001
local terms energy: -50.516338
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -7.714
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -9.413
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: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -94.738709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.738709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.738709 (E_RNA)
where:
Base-Base interactions energy: -35.232
where: short stacking energy: -35.008
Base-Backbone interact. energy: -0.239
local terms energy: -59.268240
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -9.120
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: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -92.490557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.490557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.490557 (E_RNA)
where:
Base-Base interactions energy: -36.393
where: short stacking energy: -30.781
Base-Backbone interact. energy: -0.478
local terms energy: -55.620096
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -81.878316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.878316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.878316 (E_RNA)
where:
Base-Base interactions energy: -26.334
where: short stacking energy: -23.278
Base-Backbone interact. energy: 0.996
local terms energy: -56.540010
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -84.753310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.753310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.753310 (E_RNA)
where:
Base-Base interactions energy: -32.376
where: short stacking energy: -24.607
Base-Backbone interact. energy: -0.013
local terms energy: -52.363849
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -213.862980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.862980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.862980 (E_RNA)
where:
Base-Base interactions energy: -145.300
where: short stacking energy: -63.206
Base-Backbone interact. energy: -0.007
local terms energy: -68.555819
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -211.277548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.277548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.277548 (E_RNA)
where:
Base-Base interactions energy: -142.861
where: short stacking energy: -56.867
Base-Backbone interact. energy: -0.442
local terms energy: -67.974933
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -14.178
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: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -185.709648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.709648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.709648 (E_RNA)
where:
Base-Base interactions energy: -115.042
where: short stacking energy: -58.967
Base-Backbone interact. energy: -0.581
local terms energy: -70.086191
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -13.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -193.108325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.108325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.108325 (E_RNA)
where:
Base-Base interactions energy: -122.789
where: short stacking energy: -55.250
Base-Backbone interact. energy: -0.004
local terms energy: -70.314882
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -15.881
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: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -189.343189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.343189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.343189 (E_RNA)
where:
Base-Base interactions energy: -123.043
where: short stacking energy: -51.187
Base-Backbone interact. energy: -0.077
local terms energy: -66.222320
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -14.620
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: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -100.878031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.878031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.878031 (E_RNA)
where:
Base-Base interactions energy: -42.364
where: short stacking energy: -24.873
Base-Backbone interact. energy: -0.560
local terms energy: -57.953665
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -96.230156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.230156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.230156 (E_RNA)
where:
Base-Base interactions energy: -48.155
where: short stacking energy: -42.193
Base-Backbone interact. energy: -0.192
local terms energy: -47.883969
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -90.537489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.537489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.537489 (E_RNA)
where:
Base-Base interactions energy: -44.236
where: short stacking energy: -44.236
Base-Backbone interact. energy: -0.040
local terms energy: -46.260985
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -82.750604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.750604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.750604 (E_RNA)
where:
Base-Base interactions energy: -32.413
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.022
local terms energy: -50.316000
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -80.251945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.251945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.251945 (E_RNA)
where:
Base-Base interactions energy: -25.960
where: short stacking energy: -23.535
Base-Backbone interact. energy: -0.108
local terms energy: -54.183419
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -213.850863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.850863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.850863 (E_RNA)
where:
Base-Base interactions energy: -144.480
where: short stacking energy: -61.177
Base-Backbone interact. energy: -0.003
local terms energy: -69.367139
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -18.810
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: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -201.019792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.019792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.019792 (E_RNA)
where:
Base-Base interactions energy: -137.697
where: short stacking energy: -58.897
Base-Backbone interact. energy: -0.166
local terms energy: -63.157035
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -194.195304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.195304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.195304 (E_RNA)
where:
Base-Base interactions energy: -127.647
where: short stacking energy: -56.137
Base-Backbone interact. energy: 0.306
local terms energy: -66.854284
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -197.017027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.017027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.017027 (E_RNA)
where:
Base-Base interactions energy: -122.282
where: short stacking energy: -59.855
Base-Backbone interact. energy: -0.007
local terms energy: -74.728409
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -18.878
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: 273
Temperature: 1.100000
Total energy: -189.439395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.439395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.439395 (E_RNA)
where:
Base-Base interactions energy: -128.224
where: short stacking energy: -57.051
Base-Backbone interact. energy: -0.100
local terms energy: -61.115294
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -120.448160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.448160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.448160 (E_RNA)
where:
Base-Base interactions energy: -59.178
where: short stacking energy: -34.223
Base-Backbone interact. energy: -0.055
local terms energy: -61.215123
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -94.679756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.679756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.679756 (E_RNA)
where:
Base-Base interactions energy: -38.856
where: short stacking energy: -38.794
Base-Backbone interact. energy: -0.444
local terms energy: -55.379636
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -7.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -96.021661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.021661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.021661 (E_RNA)
where:
Base-Base interactions energy: -36.650
where: short stacking energy: -36.650
Base-Backbone interact. energy: -0.091
local terms energy: -59.280673
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -75.498522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.498522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.498522 (E_RNA)
where:
Base-Base interactions energy: -20.752
where: short stacking energy: -19.366
Base-Backbone interact. energy: -0.260
local terms energy: -54.486263
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -5.329
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: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -77.003738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.003738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.003738 (E_RNA)
where:
Base-Base interactions energy: -30.158
where: short stacking energy: -15.325
Base-Backbone interact. energy: -0.406
local terms energy: -46.439096
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: 3.064
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: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -204.854187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.854187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.854187 (E_RNA)
where:
Base-Base interactions energy: -127.871
where: short stacking energy: -65.000
Base-Backbone interact. energy: -0.000
local terms energy: -76.982882
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -8.241
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: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -197.649125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.649125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.649125 (E_RNA)
where:
Base-Base interactions energy: -128.043
where: short stacking energy: -59.641
Base-Backbone interact. energy: 0.443
local terms energy: -70.049184
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -189.208121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.208121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.208121 (E_RNA)
where:
Base-Base interactions energy: -120.018
where: short stacking energy: -54.857
Base-Backbone interact. energy: -0.750
local terms energy: -68.440315
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -11.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -195.143035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.143035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.143035 (E_RNA)
where:
Base-Base interactions energy: -129.244
where: short stacking energy: -53.275
Base-Backbone interact. energy: -0.133
local terms energy: -65.766018
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -17.925
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: 274
Temperature: 1.100000
Total energy: -170.350484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.350484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.350484 (E_RNA)
where:
Base-Base interactions energy: -98.853
where: short stacking energy: -52.670
Base-Backbone interact. energy: -0.124
local terms energy: -71.373889
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -163.653468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.653468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.653468 (E_RNA)
where:
Base-Base interactions energy: -89.480
where: short stacking energy: -54.673
Base-Backbone interact. energy: -1.137
local terms energy: -73.036682
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -93.411785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.411785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.411785 (E_RNA)
where:
Base-Base interactions energy: -46.246
where: short stacking energy: -34.827
Base-Backbone interact. energy: -0.270
local terms energy: -46.895517
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -9.719
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: 0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -86.443199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.443199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.443199 (E_RNA)
where:
Base-Base interactions energy: -33.777
where: short stacking energy: -28.741
Base-Backbone interact. energy: 0.335
local terms energy: -53.001120
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -107.675151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.675151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.675151 (E_RNA)
where:
Base-Base interactions energy: -65.387
where: short stacking energy: -32.917
Base-Backbone interact. energy: 0.469
local terms energy: -42.756769
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: 1.418
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -85.489779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.489779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.489779 (E_RNA)
where:
Base-Base interactions energy: -36.144
where: short stacking energy: -34.313
Base-Backbone interact. energy: 0.058
local terms energy: -49.403876
where:
bonds (distance) C4'-P energy: -6.585
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -7.706
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: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -210.191924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.191924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.191924 (E_RNA)
where:
Base-Base interactions energy: -131.552
where: short stacking energy: -69.874
Base-Backbone interact. energy: 0.241
local terms energy: -78.880587
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -201.254869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.254869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.254869 (E_RNA)
where:
Base-Base interactions energy: -131.505
where: short stacking energy: -64.236
Base-Backbone interact. energy: -0.038
local terms energy: -69.712045
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -179.666519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.666519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.666519 (E_RNA)
where:
Base-Base interactions energy: -113.183
where: short stacking energy: -58.790
Base-Backbone interact. energy: -0.003
local terms energy: -66.480402
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -160.557530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.557530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.557530 (E_RNA)
where:
Base-Base interactions energy: -96.850
where: short stacking energy: -49.787
Base-Backbone interact. energy: -0.017
local terms energy: -63.689989
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -10.162
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: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -172.626264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.626264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.626264 (E_RNA)
where:
Base-Base interactions energy: -114.441
where: short stacking energy: -53.318
Base-Backbone interact. energy: -0.120
local terms energy: -58.065688
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -147.518528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.518528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.518528 (E_RNA)
where:
Base-Base interactions energy: -80.440
where: short stacking energy: -45.135
Base-Backbone interact. energy: -0.149
local terms energy: -66.929470
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -9.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -86.449377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.449377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.449377 (E_RNA)
where:
Base-Base interactions energy: -29.499
where: short stacking energy: -29.499
Base-Backbone interact. energy: -0.194
local terms energy: -56.756603
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -84.182642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.182642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.182642 (E_RNA)
where:
Base-Base interactions energy: -35.631
where: short stacking energy: -22.318
Base-Backbone interact. energy: 0.936
local terms energy: -49.487993
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -73.120569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.120569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.120569 (E_RNA)
where:
Base-Base interactions energy: -30.000
where: short stacking energy: -20.464
Base-Backbone interact. energy: -0.032
local terms energy: -43.088780
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -1.034
flat angles P-C4'-P energy: -8.145
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: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -82.024652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.024652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.024652 (E_RNA)
where:
Base-Base interactions energy: -34.818
where: short stacking energy: -34.818
Base-Backbone interact. energy: -0.758
local terms energy: -46.448493
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -7.263
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: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -201.266112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.266112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.266112 (E_RNA)
where:
Base-Base interactions energy: -129.548
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.185
local terms energy: -71.532512
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -15.553
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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -197.532556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.532556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.532556 (E_RNA)
where:
Base-Base interactions energy: -131.357
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.496
local terms energy: -65.678979
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -176.999442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.999442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.999442 (E_RNA)
where:
Base-Base interactions energy: -113.210
where: short stacking energy: -49.714
Base-Backbone interact. energy: -1.222
local terms energy: -62.567176
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -179.913461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.913461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.913461 (E_RNA)
where:
Base-Base interactions energy: -120.821
where: short stacking energy: -50.839
Base-Backbone interact. energy: -0.428
local terms energy: -58.664375
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -7.860
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: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -180.818956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.818956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.818956 (E_RNA)
where:
Base-Base interactions energy: -112.459
where: short stacking energy: -58.222
Base-Backbone interact. energy: -0.057
local terms energy: -68.302446
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -15.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -146.672827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.672827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.672827 (E_RNA)
where:
Base-Base interactions energy: -84.909
where: short stacking energy: -47.598
Base-Backbone interact. energy: -0.162
local terms energy: -61.602003
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -88.353009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.353009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.353009 (E_RNA)
where:
Base-Base interactions energy: -29.562
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.127
local terms energy: -58.663558
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -92.169174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.169174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.169174 (E_RNA)
where:
Base-Base interactions energy: -43.437
where: short stacking energy: -30.781
Base-Backbone interact. energy: -0.121
local terms energy: -48.611815
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -77.946894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.946894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.946894 (E_RNA)
where:
Base-Base interactions energy: -26.031
where: short stacking energy: -23.769
Base-Backbone interact. energy: -0.167
local terms energy: -51.748860
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -80.132197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.132197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.132197 (E_RNA)
where:
Base-Base interactions energy: -31.003
where: short stacking energy: -30.723
Base-Backbone interact. energy: -0.263
local terms energy: -48.866264
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -7.057
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: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -216.722310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.722310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.722310 (E_RNA)
where:
Base-Base interactions energy: -151.258
where: short stacking energy: -67.204
Base-Backbone interact. energy: -0.003
local terms energy: -65.461463
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -186.314074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.314074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.314074 (E_RNA)
where:
Base-Base interactions energy: -110.134
where: short stacking energy: -59.480
Base-Backbone interact. energy: -0.000
local terms energy: -76.179697
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -16.118
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: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -184.573005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.573005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.573005 (E_RNA)
where:
Base-Base interactions energy: -112.958
where: short stacking energy: -42.970
Base-Backbone interact. energy: -0.022
local terms energy: -71.592671
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -13.978
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: 277
Temperature: 1.050000
Total energy: -197.427585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.427585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.427585 (E_RNA)
where:
Base-Base interactions energy: -132.887
where: short stacking energy: -51.916
Base-Backbone interact. energy: -0.470
local terms energy: -64.070136
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -180.352922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.352922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.352922 (E_RNA)
where:
Base-Base interactions energy: -123.518
where: short stacking energy: -52.686
Base-Backbone interact. energy: -0.556
local terms energy: -56.279345
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -140.507933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.507933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.507933 (E_RNA)
where:
Base-Base interactions energy: -81.239
where: short stacking energy: -43.763
Base-Backbone interact. energy: -0.272
local terms energy: -58.996594
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -13.116
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: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -99.299757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.299757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.299757 (E_RNA)
where:
Base-Base interactions energy: -44.509
where: short stacking energy: -44.440
Base-Backbone interact. energy: -0.098
local terms energy: -54.692938
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -78.923558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.923558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.923558 (E_RNA)
where:
Base-Base interactions energy: -28.162
where: short stacking energy: -24.299
Base-Backbone interact. energy: -0.082
local terms energy: -50.679870
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -99.507060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.507060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.507060 (E_RNA)
where:
Base-Base interactions energy: -51.467
where: short stacking energy: -31.292
Base-Backbone interact. energy: 0.665
local terms energy: -48.705079
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -3.924
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: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -79.060096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.060096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.060096 (E_RNA)
where:
Base-Base interactions energy: -37.774
where: short stacking energy: -22.565
Base-Backbone interact. energy: 0.529
local terms energy: -41.814647
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: 0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -209.897695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.897695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.897695 (E_RNA)
where:
Base-Base interactions energy: -142.489
where: short stacking energy: -60.139
Base-Backbone interact. energy: -0.086
local terms energy: -67.322775
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -190.076625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.076625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.076625 (E_RNA)
where:
Base-Base interactions energy: -118.411
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.018
local terms energy: -71.647870
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -11.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -191.644099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.644099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.644099 (E_RNA)
where:
Base-Base interactions energy: -115.426
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.000
local terms energy: -76.217650
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -24.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -179.363012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.363012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.363012 (E_RNA)
where:
Base-Base interactions energy: -118.742
where: short stacking energy: -50.508
Base-Backbone interact. energy: -0.226
local terms energy: -60.394970
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -185.538205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.538205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.538205 (E_RNA)
where:
Base-Base interactions energy: -118.145
where: short stacking energy: -52.237
Base-Backbone interact. energy: -0.251
local terms energy: -67.142900
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -129.204150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.204150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.204150 (E_RNA)
where:
Base-Base interactions energy: -70.305
where: short stacking energy: -36.508
Base-Backbone interact. energy: -0.366
local terms energy: -58.532634
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -10.425
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: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -91.716822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.716822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.716822 (E_RNA)
where:
Base-Base interactions energy: -37.077
where: short stacking energy: -32.240
Base-Backbone interact. energy: -0.119
local terms energy: -54.520683
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -7.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -83.469002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.469002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.469002 (E_RNA)
where:
Base-Base interactions energy: -31.357
where: short stacking energy: -29.537
Base-Backbone interact. energy: -0.035
local terms energy: -52.076871
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -78.136348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.136348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.136348 (E_RNA)
where:
Base-Base interactions energy: -23.879
where: short stacking energy: -23.879
Base-Backbone interact. energy: -0.042
local terms energy: -54.214860
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -81.557484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.557484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.557484 (E_RNA)
where:
Base-Base interactions energy: -26.283
where: short stacking energy: -24.664
Base-Backbone interact. energy: -0.081
local terms energy: -55.193645
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -205.002266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.002266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.002266 (E_RNA)
where:
Base-Base interactions energy: -137.303
where: short stacking energy: -57.815
Base-Backbone interact. energy: -0.042
local terms energy: -67.657569
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -10.706
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: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -170.828531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.828531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.828531 (E_RNA)
where:
Base-Base interactions energy: -112.522
where: short stacking energy: -49.358
Base-Backbone interact. energy: 0.746
local terms energy: -59.051699
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -199.536337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.536337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.536337 (E_RNA)
where:
Base-Base interactions energy: -122.367
where: short stacking energy: -72.586
Base-Backbone interact. energy: -0.000
local terms energy: -77.168601
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -186.138709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.138709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.138709 (E_RNA)
where:
Base-Base interactions energy: -119.539
where: short stacking energy: -62.836
Base-Backbone interact. energy: -0.105
local terms energy: -66.494642
where:
bonds (distance) C4'-P energy: -6.672
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -19.589
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: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -173.945061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.945061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.945061 (E_RNA)
where:
Base-Base interactions energy: -106.362
where: short stacking energy: -50.763
Base-Backbone interact. energy: -0.772
local terms energy: -66.811623
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -10.568
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: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -110.311478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.311478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.311478 (E_RNA)
where:
Base-Base interactions energy: -50.036
where: short stacking energy: -50.036
Base-Backbone interact. energy: -0.061
local terms energy: -60.214378
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -92.958142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.958142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.958142 (E_RNA)
where:
Base-Base interactions energy: -33.616
where: short stacking energy: -33.353
Base-Backbone interact. energy: -0.502
local terms energy: -58.839904
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -90.644991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.644991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.644991 (E_RNA)
where:
Base-Base interactions energy: -31.568
where: short stacking energy: -24.064
Base-Backbone interact. energy: -0.388
local terms energy: -58.689103
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -7.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -84.026048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.026048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.026048 (E_RNA)
where:
Base-Base interactions energy: -38.442
where: short stacking energy: -34.000
Base-Backbone interact. energy: -0.670
local terms energy: -44.914596
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -75.242814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.242814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.242814 (E_RNA)
where:
Base-Base interactions energy: -34.815
where: short stacking energy: -27.979
Base-Backbone interact. energy: -0.052
local terms energy: -40.375236
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -3.659
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: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -212.800774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.800774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.800774 (E_RNA)
where:
Base-Base interactions energy: -139.186
where: short stacking energy: -62.222
Base-Backbone interact. energy: -0.011
local terms energy: -73.603810
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -17.475
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: 280
Temperature: 0.950000
Total energy: -176.930772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.930772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.930772 (E_RNA)
where:
Base-Base interactions energy: -106.845
where: short stacking energy: -54.784
Base-Backbone interact. energy: 1.374
local terms energy: -71.460344
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -11.695
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: 3, replica: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -181.533184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.533184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.533184 (E_RNA)
where:
Base-Base interactions energy: -108.775
where: short stacking energy: -50.329
Base-Backbone interact. energy: -0.067
local terms energy: -72.690921
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -176.732066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.732066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.732066 (E_RNA)
where:
Base-Base interactions energy: -110.783
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.301
local terms energy: -65.648147
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -14.881
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: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -162.459800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.459800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.459800 (E_RNA)
where:
Base-Base interactions energy: -103.015
where: short stacking energy: -46.141
Base-Backbone interact. energy: -0.157
local terms energy: -59.287385
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -88.024123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.024123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.024123 (E_RNA)
where:
Base-Base interactions energy: -32.246
where: short stacking energy: -30.525
Base-Backbone interact. energy: -0.243
local terms energy: -55.535719
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -8.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -100.325156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.325156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.325156 (E_RNA)
where:
Base-Base interactions energy: -40.763
where: short stacking energy: -40.763
Base-Backbone interact. energy: -0.411
local terms energy: -59.151269
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -10.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -98.767771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.767771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.767771 (E_RNA)
where:
Base-Base interactions energy: -49.897
where: short stacking energy: -28.795
Base-Backbone interact. energy: -0.033
local terms energy: -48.837759
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -77.807235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.807235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.807235 (E_RNA)
where:
Base-Base interactions energy: -33.532
where: short stacking energy: -20.526
Base-Backbone interact. energy: -0.648
local terms energy: -43.626629
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -6.791
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: 1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -82.454386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.454386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.454386 (E_RNA)
where:
Base-Base interactions energy: -28.773
where: short stacking energy: -20.309
Base-Backbone interact. energy: -0.623
local terms energy: -53.057773
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -8.647
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: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -209.656038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.656038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.656038 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -63.001
Base-Backbone interact. energy: 0.163
local terms energy: -75.392791
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -13.938
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: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -194.197647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.197647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.197647 (E_RNA)
where:
Base-Base interactions energy: -127.402
where: short stacking energy: -63.167
Base-Backbone interact. energy: -0.049
local terms energy: -66.747167
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -8.928
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: 3, replica: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -187.484965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.484965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.484965 (E_RNA)
where:
Base-Base interactions energy: -122.411
where: short stacking energy: -57.951
Base-Backbone interact. energy: -0.007
local terms energy: -65.066767
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -15.616
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: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -162.856304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.856304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.856304 (E_RNA)
where:
Base-Base interactions energy: -98.875
where: short stacking energy: -56.386
Base-Backbone interact. energy: -0.736
local terms energy: -63.245830
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -152.004897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.004897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.004897 (E_RNA)
where:
Base-Base interactions energy: -95.578
where: short stacking energy: -57.302
Base-Backbone interact. energy: -0.084
local terms energy: -56.342726
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -10.036
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: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -93.005990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.005990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.005990 (E_RNA)
where:
Base-Base interactions energy: -41.639
where: short stacking energy: -40.996
Base-Backbone interact. energy: -0.158
local terms energy: -51.208925
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -96.782612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.782612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.782612 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -34.001
Base-Backbone interact. energy: -0.480
local terms energy: -58.911118
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -3.192
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: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -89.124029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.124029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.124029 (E_RNA)
where:
Base-Base interactions energy: -44.542
where: short stacking energy: -30.192
Base-Backbone interact. energy: -0.112
local terms energy: -44.470262
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -2.450
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -86.004783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.004783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.004783 (E_RNA)
where:
Base-Base interactions energy: -32.184
where: short stacking energy: -26.630
Base-Backbone interact. energy: -0.024
local terms energy: -53.796680
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -82.231546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.231546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.231546 (E_RNA)
where:
Base-Base interactions energy: -37.381
where: short stacking energy: -26.812
Base-Backbone interact. energy: -0.147
local terms energy: -44.703542
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -2.027
tors. eta vs tors. theta energy: -1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -198.487821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.487821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.487821 (E_RNA)
where:
Base-Base interactions energy: -126.233
where: short stacking energy: -72.804
Base-Backbone interact. energy: -0.015
local terms energy: -72.239848
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -16.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -198.803467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.803467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.803467 (E_RNA)
where:
Base-Base interactions energy: -123.512
where: short stacking energy: -57.707
Base-Backbone interact. energy: -0.336
local terms energy: -74.955839
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -16.448
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: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -186.776901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.776901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.776901 (E_RNA)
where:
Base-Base interactions energy: -113.516
where: short stacking energy: -66.539
Base-Backbone interact. energy: -0.006
local terms energy: -73.254949
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -183.393756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.393756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.393756 (E_RNA)
where:
Base-Base interactions energy: -120.675
where: short stacking energy: -61.944
Base-Backbone interact. energy: -0.003
local terms energy: -62.715578
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -149.956057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.956057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.956057 (E_RNA)
where:
Base-Base interactions energy: -88.715
where: short stacking energy: -49.605
Base-Backbone interact. energy: -0.010
local terms energy: -61.231163
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -8.284
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: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -101.877830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.877830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.877830 (E_RNA)
where:
Base-Base interactions energy: -45.027
where: short stacking energy: -44.353
Base-Backbone interact. energy: -0.221
local terms energy: -56.628899
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -112.592951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.592951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.592951 (E_RNA)
where:
Base-Base interactions energy: -58.282
where: short stacking energy: -28.862
Base-Backbone interact. energy: 0.445
local terms energy: -54.756217
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -92.368430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.368430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.368430 (E_RNA)
where:
Base-Base interactions energy: -38.738
where: short stacking energy: -25.898
Base-Backbone interact. energy: -1.856
local terms energy: -51.773963
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -84.864350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.864350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.864350 (E_RNA)
where:
Base-Base interactions energy: -33.396
where: short stacking energy: -30.306
Base-Backbone interact. energy: 0.999
local terms energy: -52.467817
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -6.417
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: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -86.397193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.397193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.397193 (E_RNA)
where:
Base-Base interactions energy: -41.305
where: short stacking energy: -39.073
Base-Backbone interact. energy: -0.085
local terms energy: -45.007235
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -6.288
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -205.585862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.585862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.585862 (E_RNA)
where:
Base-Base interactions energy: -131.788
where: short stacking energy: -69.118
Base-Backbone interact. energy: -0.536
local terms energy: -73.261746
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -22.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -190.874848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.874848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.874848 (E_RNA)
where:
Base-Base interactions energy: -126.487
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.009
local terms energy: -64.379258
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -180.156271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.156271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.156271 (E_RNA)
where:
Base-Base interactions energy: -109.966
where: short stacking energy: -56.611
Base-Backbone interact. energy: -0.482
local terms energy: -69.708731
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -10.519
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: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -169.094891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.094891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.094891 (E_RNA)
where:
Base-Base interactions energy: -108.367
where: short stacking energy: -51.543
Base-Backbone interact. energy: -0.088
local terms energy: -60.639491
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -10.611
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: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -159.389984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.389984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.389984 (E_RNA)
where:
Base-Base interactions energy: -92.910
where: short stacking energy: -53.776
Base-Backbone interact. energy: -0.007
local terms energy: -66.472320
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -111.651409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.651409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.651409 (E_RNA)
where:
Base-Base interactions energy: -55.132
where: short stacking energy: -48.844
Base-Backbone interact. energy: 0.053
local terms energy: -56.571913
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -12.813
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: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -100.987731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.987731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.987731 (E_RNA)
where:
Base-Base interactions energy: -39.998
where: short stacking energy: -33.183
Base-Backbone interact. energy: -0.125
local terms energy: -60.864952
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -89.653450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.653450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.653450 (E_RNA)
where:
Base-Base interactions energy: -41.457
where: short stacking energy: -40.158
Base-Backbone interact. energy: -0.266
local terms energy: -47.930780
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -94.486077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.486077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.486077 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -34.208
Base-Backbone interact. energy: -0.203
local terms energy: -58.451431
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -13.003
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: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -78.584082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.584082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.584082 (E_RNA)
where:
Base-Base interactions energy: -28.393
where: short stacking energy: -28.393
Base-Backbone interact. energy: -0.146
local terms energy: -50.044902
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -215.359315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.359315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.359315 (E_RNA)
where:
Base-Base interactions energy: -136.576
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.585
local terms energy: -78.198646
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -187.898708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.898708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.898708 (E_RNA)
where:
Base-Base interactions energy: -125.049
where: short stacking energy: -44.976
Base-Backbone interact. energy: -0.295
local terms energy: -62.554767
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -6.091
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: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -160.328220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.328220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.328220 (E_RNA)
where:
Base-Base interactions energy: -89.874
where: short stacking energy: -47.282
Base-Backbone interact. energy: -0.298
local terms energy: -70.156605
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -165.206564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.206564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.206564 (E_RNA)
where:
Base-Base interactions energy: -92.142
where: short stacking energy: -50.536
Base-Backbone interact. energy: -1.136
local terms energy: -71.928235
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -12.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -101.344625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.344625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.344625 (E_RNA)
where:
Base-Base interactions energy: -42.975
where: short stacking energy: -39.747
Base-Backbone interact. energy: -0.007
local terms energy: -58.362542
where:
bonds (distance) C4'-P energy: -8.466
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -158.971191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.971191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.971191 (E_RNA)
where:
Base-Base interactions energy: -96.519
where: short stacking energy: -55.489
Base-Backbone interact. energy: 0.487
local terms energy: -62.938838
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -84.186071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.186071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.186071 (E_RNA)
where:
Base-Base interactions energy: -33.940
where: short stacking energy: -33.940
Base-Backbone interact. energy: 0.511
local terms energy: -50.756475
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -5.721
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: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -80.542785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.542785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.542785 (E_RNA)
where:
Base-Base interactions energy: -30.470
where: short stacking energy: -30.470
Base-Backbone interact. energy: -0.188
local terms energy: -49.885320
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -6.697
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -78.929021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.929021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.929021 (E_RNA)
where:
Base-Base interactions energy: -40.412
where: short stacking energy: -27.650
Base-Backbone interact. energy: 0.393
local terms energy: -38.910173
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: 0.201
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -99.732956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.732956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.732956 (E_RNA)
where:
Base-Base interactions energy: -55.369
where: short stacking energy: -23.652
Base-Backbone interact. energy: 1.504
local terms energy: -45.868136
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -198.284174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.284174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.284174 (E_RNA)
where:
Base-Base interactions energy: -121.361
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.102
local terms energy: -76.821236
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -17.997
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: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -177.930012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.930012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.930012 (E_RNA)
where:
Base-Base interactions energy: -114.760
where: short stacking energy: -52.549
Base-Backbone interact. energy: -0.602
local terms energy: -62.568181
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -9.511
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: 285
Temperature: 1.000000
Total energy: -174.858178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.858178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.858178 (E_RNA)
where:
Base-Base interactions energy: -102.286
where: short stacking energy: -53.095
Base-Backbone interact. energy: -0.291
local terms energy: -72.280829
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -11.524
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: 4, replica: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -166.082260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.082260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.082260 (E_RNA)
where:
Base-Base interactions energy: -108.423
where: short stacking energy: -46.933
Base-Backbone interact. energy: -1.349
local terms energy: -56.310502
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -7.375
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: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -111.170188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.170188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.170188 (E_RNA)
where:
Base-Base interactions energy: -47.521
where: short stacking energy: -46.343
Base-Backbone interact. energy: -0.036
local terms energy: -63.612829
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -172.572769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.572769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.572769 (E_RNA)
where:
Base-Base interactions energy: -110.157
where: short stacking energy: -56.237
Base-Backbone interact. energy: -0.103
local terms energy: -62.312344
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -11.123
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: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -92.963284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.963284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.963284 (E_RNA)
where:
Base-Base interactions energy: -30.603
where: short stacking energy: -30.603
Base-Backbone interact. energy: -0.130
local terms energy: -62.230076
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -97.735390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.735390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.735390 (E_RNA)
where:
Base-Base interactions energy: -39.090
where: short stacking energy: -35.899
Base-Backbone interact. energy: -0.090
local terms energy: -58.554672
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -10.362
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: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -87.689239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.689239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.689239 (E_RNA)
where:
Base-Base interactions energy: -35.414
where: short stacking energy: -35.414
Base-Backbone interact. energy: -0.075
local terms energy: -52.200863
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -75.284066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.284066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.284066 (E_RNA)
where:
Base-Base interactions energy: -28.701
where: short stacking energy: -25.324
Base-Backbone interact. energy: 0.503
local terms energy: -47.085847
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -3.408
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: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -202.798611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.798611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.798611 (E_RNA)
where:
Base-Base interactions energy: -131.719
where: short stacking energy: -59.364
Base-Backbone interact. energy: -0.060
local terms energy: -71.018624
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -202.778649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.778649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.778649 (E_RNA)
where:
Base-Base interactions energy: -138.116
where: short stacking energy: -49.777
Base-Backbone interact. energy: -0.188
local terms energy: -64.475156
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -10.632
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: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -170.986366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.986366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.986366 (E_RNA)
where:
Base-Base interactions energy: -100.836
where: short stacking energy: -51.147
Base-Backbone interact. energy: -0.501
local terms energy: -69.649061
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -176.720262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.720262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.720262 (E_RNA)
where:
Base-Base interactions energy: -112.975
where: short stacking energy: -48.492
Base-Backbone interact. energy: -0.010
local terms energy: -63.735429
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -11.266
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: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -155.418756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.418756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.418756 (E_RNA)
where:
Base-Base interactions energy: -94.052
where: short stacking energy: -30.630
Base-Backbone interact. energy: -0.220
local terms energy: -61.146349
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -121.995680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.995680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.995680 (E_RNA)
where:
Base-Base interactions energy: -71.632
where: short stacking energy: -47.818
Base-Backbone interact. energy: -0.192
local terms energy: -50.172205
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -6.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -93.375338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.375338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.375338 (E_RNA)
where:
Base-Base interactions energy: -36.789
where: short stacking energy: -31.925
Base-Backbone interact. energy: 1.562
local terms energy: -58.148622
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -90.155573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.155573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.155573 (E_RNA)
where:
Base-Base interactions energy: -39.335
where: short stacking energy: -30.062
Base-Backbone interact. energy: 0.331
local terms energy: -51.151901
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -5.916
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -89.886971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.886971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.886971 (E_RNA)
where:
Base-Base interactions energy: -48.645
where: short stacking energy: -26.145
Base-Backbone interact. energy: -0.156
local terms energy: -41.085889
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -2.538
tors. eta vs tors. theta energy: -1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -92.227444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.227444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.227444 (E_RNA)
where:
Base-Base interactions energy: -33.029
where: short stacking energy: -32.202
Base-Backbone interact. energy: -0.099
local terms energy: -59.099414
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -7.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -204.897137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.897137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.897137 (E_RNA)
where:
Base-Base interactions energy: -137.238
where: short stacking energy: -65.924
Base-Backbone interact. energy: -0.131
local terms energy: -67.527505
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -13.318
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: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -201.050939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.050939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.050939 (E_RNA)
where:
Base-Base interactions energy: -134.285
where: short stacking energy: -53.472
Base-Backbone interact. energy: -0.256
local terms energy: -66.509462
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -17.433
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: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -170.284080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.284080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.284080 (E_RNA)
where:
Base-Base interactions energy: -107.474
where: short stacking energy: -47.697
Base-Backbone interact. energy: -0.104
local terms energy: -62.706034
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -10.469
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: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -178.441635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.441635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.441635 (E_RNA)
where:
Base-Base interactions energy: -117.291
where: short stacking energy: -52.606
Base-Backbone interact. energy: -0.005
local terms energy: -61.145027
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -9.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -163.356426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.356426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.356426 (E_RNA)
where:
Base-Base interactions energy: -96.554
where: short stacking energy: -51.406
Base-Backbone interact. energy: -0.027
local terms energy: -66.775376
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -12.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -104.275495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.275495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.275495 (E_RNA)
where:
Base-Base interactions energy: -42.926
where: short stacking energy: -39.323
Base-Backbone interact. energy: -0.421
local terms energy: -60.928760
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -97.300232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.300232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.300232 (E_RNA)
where:
Base-Base interactions energy: -39.846
where: short stacking energy: -33.214
Base-Backbone interact. energy: -1.264
local terms energy: -56.190295
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -85.805048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.805048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.805048 (E_RNA)
where:
Base-Base interactions energy: -33.676
where: short stacking energy: -33.676
Base-Backbone interact. energy: -0.096
local terms energy: -52.033636
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -4.767
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: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -83.077904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.077904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.077904 (E_RNA)
where:
Base-Base interactions energy: -32.337
where: short stacking energy: -26.059
Base-Backbone interact. energy: -0.143
local terms energy: -50.597981
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -72.700761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.700761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.700761 (E_RNA)
where:
Base-Base interactions energy: -29.600
where: short stacking energy: -23.127
Base-Backbone interact. energy: 0.436
local terms energy: -43.536869
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -202.700344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.700344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.700344 (E_RNA)
where:
Base-Base interactions energy: -138.734
where: short stacking energy: -61.416
Base-Backbone interact. energy: -0.104
local terms energy: -63.862551
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -201.032380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.032380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.032380 (E_RNA)
where:
Base-Base interactions energy: -129.809
where: short stacking energy: -58.252
Base-Backbone interact. energy: -0.017
local terms energy: -71.206030
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -188.604782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.604782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.604782 (E_RNA)
where:
Base-Base interactions energy: -126.380
where: short stacking energy: -51.463
Base-Backbone interact. energy: -0.031
local terms energy: -62.193821
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -10.120
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: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -165.588325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.588325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.588325 (E_RNA)
where:
Base-Base interactions energy: -99.242
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.077
local terms energy: -66.269548
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -7.130
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: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -156.090175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.090175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.090175 (E_RNA)
where:
Base-Base interactions energy: -91.711
where: short stacking energy: -49.216
Base-Backbone interact. energy: -0.246
local terms energy: -64.133073
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -106.827343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.827343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.827343 (E_RNA)
where:
Base-Base interactions energy: -49.417
where: short stacking energy: -49.417
Base-Backbone interact. energy: -0.005
local terms energy: -57.404666
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -9.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -91.234044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.234044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.234044 (E_RNA)
where:
Base-Base interactions energy: -47.096
where: short stacking energy: -30.658
Base-Backbone interact. energy: 0.106
local terms energy: -44.243527
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -83.216157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.216157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.216157 (E_RNA)
where:
Base-Base interactions energy: -38.205
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.645
local terms energy: -44.366908
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -7.292
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -80.305350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.305350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.305350 (E_RNA)
where:
Base-Base interactions energy: -31.102
where: short stacking energy: -26.702
Base-Backbone interact. energy: 0.755
local terms energy: -49.958250
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -4.846
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: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -80.808598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.808598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.808598 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -31.782
Base-Backbone interact. energy: -0.267
local terms energy: -47.030674
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: 0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -205.716670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.716670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.716670 (E_RNA)
where:
Base-Base interactions energy: -135.012
where: short stacking energy: -61.162
Base-Backbone interact. energy: -0.002
local terms energy: -70.702660
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -198.134865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.134865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.134865 (E_RNA)
where:
Base-Base interactions energy: -138.361
where: short stacking energy: -52.347
Base-Backbone interact. energy: -0.121
local terms energy: -59.652524
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -10.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -189.731073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.731073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.731073 (E_RNA)
where:
Base-Base interactions energy: -126.392
where: short stacking energy: -54.005
Base-Backbone interact. energy: -0.731
local terms energy: -62.608535
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -169.939948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.939948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.939948 (E_RNA)
where:
Base-Base interactions energy: -107.446
where: short stacking energy: -60.175
Base-Backbone interact. energy: -0.358
local terms energy: -62.135494
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -10.381
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: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -149.170913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.170913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.170913 (E_RNA)
where:
Base-Base interactions energy: -83.221
where: short stacking energy: -44.418
Base-Backbone interact. energy: -2.720
local terms energy: -63.229913
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -10.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -106.972201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.972201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.972201 (E_RNA)
where:
Base-Base interactions energy: -43.168
where: short stacking energy: -43.168
Base-Backbone interact. energy: -0.186
local terms energy: -63.618161
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -9.053
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: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -88.981575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.981575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.981575 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -34.864
Base-Backbone interact. energy: -0.137
local terms energy: -53.362676
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -3.287
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -100.335727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.335727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.335727 (E_RNA)
where:
Base-Base interactions energy: -38.837
where: short stacking energy: -26.285
Base-Backbone interact. energy: -0.119
local terms energy: -61.379100
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -83.184039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.184039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.184039 (E_RNA)
where:
Base-Base interactions energy: -27.676
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.965
local terms energy: -54.543181
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -77.115223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.115223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.115223 (E_RNA)
where:
Base-Base interactions energy: -28.428
where: short stacking energy: -27.997
Base-Backbone interact. energy: -0.005
local terms energy: -48.681918
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -8.945
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: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -200.379366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.379366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.379366 (E_RNA)
where:
Base-Base interactions energy: -132.433
where: short stacking energy: -49.186
Base-Backbone interact. energy: -0.409
local terms energy: -67.537245
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -199.122269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.122269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.122269 (E_RNA)
where:
Base-Base interactions energy: -128.584
where: short stacking energy: -52.258
Base-Backbone interact. energy: -0.021
local terms energy: -70.516571
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -188.935669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.935669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.935669 (E_RNA)
where:
Base-Base interactions energy: -124.288
where: short stacking energy: -54.559
Base-Backbone interact. energy: -0.011
local terms energy: -64.635995
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -163.723714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.723714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.723714 (E_RNA)
where:
Base-Base interactions energy: -93.384
where: short stacking energy: -42.109
Base-Backbone interact. energy: -0.995
local terms energy: -69.344778
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -154.040467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.040467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.040467 (E_RNA)
where:
Base-Base interactions energy: -90.390
where: short stacking energy: -44.438
Base-Backbone interact. energy: -0.429
local terms energy: -63.221129
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -142.001205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.001205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.001205 (E_RNA)
where:
Base-Base interactions energy: -88.974
where: short stacking energy: -46.391
Base-Backbone interact. energy: 0.089
local terms energy: -53.116485
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -9.273
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -100.672856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.672856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.672856 (E_RNA)
where:
Base-Base interactions energy: -44.743
where: short stacking energy: -44.440
Base-Backbone interact. energy: -0.970
local terms energy: -54.960172
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -90.543897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.543897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.543897 (E_RNA)
where:
Base-Base interactions energy: -38.668
where: short stacking energy: -38.668
Base-Backbone interact. energy: -0.124
local terms energy: -51.751954
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -2.820
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: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -81.212132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.212132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.212132 (E_RNA)
where:
Base-Base interactions energy: -32.405
where: short stacking energy: -26.062
Base-Backbone interact. energy: -0.035
local terms energy: -48.772310
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -9.357
flat angles P-C4'-P energy: -3.919
tors. eta vs tors. theta energy: -1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -76.499688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.499688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.499688 (E_RNA)
where:
Base-Base interactions energy: -31.214
where: short stacking energy: -19.558
Base-Backbone interact. energy: -0.275
local terms energy: -45.009848
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: 2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -200.716468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.716468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.716468 (E_RNA)
where:
Base-Base interactions energy: -134.596
where: short stacking energy: -44.037
Base-Backbone interact. energy: -0.339
local terms energy: -65.781144
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -7.381
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -203.439568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.439568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.439568 (E_RNA)
where:
Base-Base interactions energy: -132.978
where: short stacking energy: -57.073
Base-Backbone interact. energy: -0.048
local terms energy: -70.413219
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -187.294503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.294503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.294503 (E_RNA)
where:
Base-Base interactions energy: -124.370
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.016
local terms energy: -62.908594
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -11.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -169.974594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.974594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.974594 (E_RNA)
where:
Base-Base interactions energy: -114.351
where: short stacking energy: -50.969
Base-Backbone interact. energy: -0.536
local terms energy: -55.087321
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -7.649
flat angles P-C4'-P energy: -5.231
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: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -140.922250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.922250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.922250 (E_RNA)
where:
Base-Base interactions energy: -81.381
where: short stacking energy: -44.791
Base-Backbone interact. energy: 0.038
local terms energy: -59.579901
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -147.791553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.791553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.791553 (E_RNA)
where:
Base-Base interactions energy: -92.401
where: short stacking energy: -50.821
Base-Backbone interact. energy: 2.037
local terms energy: -57.428017
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -6.078
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: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -89.889460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.889460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.889460 (E_RNA)
where:
Base-Base interactions energy: -32.034
where: short stacking energy: -28.609
Base-Backbone interact. energy: -0.486
local terms energy: -57.369753
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -102.855767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.855767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.855767 (E_RNA)
where:
Base-Base interactions energy: -53.547
where: short stacking energy: -37.071
Base-Backbone interact. energy: -0.385
local terms energy: -48.923809
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -5.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -88.866119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.866119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.866119 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -29.250
Base-Backbone interact. energy: -0.209
local terms energy: -51.366030
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -79.218108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.218108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.218108 (E_RNA)
where:
Base-Base interactions energy: -35.413
where: short stacking energy: -27.147
Base-Backbone interact. energy: -0.506
local terms energy: -43.298986
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -4.774
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: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -203.797778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.797778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.797778 (E_RNA)
where:
Base-Base interactions energy: -135.809
where: short stacking energy: -57.074
Base-Backbone interact. energy: -0.080
local terms energy: -67.908234
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -10.985
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: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -196.570045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.570045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.570045 (E_RNA)
where:
Base-Base interactions energy: -131.057
where: short stacking energy: -59.855
Base-Backbone interact. energy: -0.019
local terms energy: -65.494894
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -192.248235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.248235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.248235 (E_RNA)
where:
Base-Base interactions energy: -117.881
where: short stacking energy: -61.820
Base-Backbone interact. energy: -0.194
local terms energy: -74.172702
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -178.823151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.823151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.823151 (E_RNA)
where:
Base-Base interactions energy: -115.263
where: short stacking energy: -45.763
Base-Backbone interact. energy: -0.042
local terms energy: -63.518493
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -157.587491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.587491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.587491 (E_RNA)
where:
Base-Base interactions energy: -108.016
where: short stacking energy: -48.855
Base-Backbone interact. energy: -0.150
local terms energy: -49.422104
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -154.812441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.812441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.812441 (E_RNA)
where:
Base-Base interactions energy: -94.580
where: short stacking energy: -54.098
Base-Backbone interact. energy: -0.407
local terms energy: -59.825366
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -87.894176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.894176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.894176 (E_RNA)
where:
Base-Base interactions energy: -30.010
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.267
local terms energy: -57.616644
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -88.674946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.674946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.674946 (E_RNA)
where:
Base-Base interactions energy: -30.817
where: short stacking energy: -25.071
Base-Backbone interact. energy: -0.231
local terms energy: -57.627130
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -91.709762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.709762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.709762 (E_RNA)
where:
Base-Base interactions energy: -37.225
where: short stacking energy: -37.225
Base-Backbone interact. energy: 1.411
local terms energy: -55.896341
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -1.600
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: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -75.535673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.535673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.535673 (E_RNA)
where:
Base-Base interactions energy: -33.465
where: short stacking energy: -27.866
Base-Backbone interact. energy: -0.109
local terms energy: -41.961628
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -5.064
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: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -191.351437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.351437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.351437 (E_RNA)
where:
Base-Base interactions energy: -125.795
where: short stacking energy: -56.547
Base-Backbone interact. energy: -0.885
local terms energy: -64.671627
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -209.302494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.302494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.302494 (E_RNA)
where:
Base-Base interactions energy: -133.878
where: short stacking energy: -61.466
Base-Backbone interact. energy: -0.074
local terms energy: -75.350076
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -190.932233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.932233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.932233 (E_RNA)
where:
Base-Base interactions energy: -128.877
where: short stacking energy: -52.539
Base-Backbone interact. energy: -0.645
local terms energy: -61.410596
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -167.960519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.960519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.960519 (E_RNA)
where:
Base-Base interactions energy: -104.205
where: short stacking energy: -46.161
Base-Backbone interact. energy: -0.302
local terms energy: -63.453051
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -163.933692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.933692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.933692 (E_RNA)
where:
Base-Base interactions energy: -110.891
where: short stacking energy: -43.607
Base-Backbone interact. energy: -0.065
local terms energy: -52.977553
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -146.106842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.106842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.106842 (E_RNA)
where:
Base-Base interactions energy: -86.872
where: short stacking energy: -48.997
Base-Backbone interact. energy: -0.872
local terms energy: -58.363001
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -8.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -87.850562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.850562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.850562 (E_RNA)
where:
Base-Base interactions energy: -37.287
where: short stacking energy: -27.184
Base-Backbone interact. energy: -0.431
local terms energy: -50.132182
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -4.565
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: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -85.336529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.336529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.336529 (E_RNA)
where:
Base-Base interactions energy: -38.527
where: short stacking energy: -34.273
Base-Backbone interact. energy: -0.156
local terms energy: -46.653474
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -4.208
tors. eta vs tors. theta energy: -0.335
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: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -87.468651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.468651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.468651 (E_RNA)
where:
Base-Base interactions energy: -33.310
where: short stacking energy: -30.201
Base-Backbone interact. energy: -0.278
local terms energy: -53.879961
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -76.230838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.230838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.230838 (E_RNA)
where:
Base-Base interactions energy: -20.408
where: short stacking energy: -17.145
Base-Backbone interact. energy: -0.384
local terms energy: -55.439264
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -193.580795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.580795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.580795 (E_RNA)
where:
Base-Base interactions energy: -126.915
where: short stacking energy: -54.903
Base-Backbone interact. energy: -0.014
local terms energy: -66.651607
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -16.332
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: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -201.920922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.920922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.920922 (E_RNA)
where:
Base-Base interactions energy: -132.070
where: short stacking energy: -62.938
Base-Backbone interact. energy: -0.006
local terms energy: -69.844634
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -174.406707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.406707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.406707 (E_RNA)
where:
Base-Base interactions energy: -109.696
where: short stacking energy: -54.110
Base-Backbone interact. energy: -0.032
local terms energy: -64.678399
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -8.872
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: 4, replica: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -185.871873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.871873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.871873 (E_RNA)
where:
Base-Base interactions energy: -121.940
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.047
local terms energy: -63.885464
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -158.670558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.670558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.670558 (E_RNA)
where:
Base-Base interactions energy: -100.177
where: short stacking energy: -52.856
Base-Backbone interact. energy: -0.124
local terms energy: -58.369314
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -12.002
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: 294
Temperature: 1.150000
Total energy: -143.942746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.942746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.942746 (E_RNA)
where:
Base-Base interactions energy: -84.672
where: short stacking energy: -49.407
Base-Backbone interact. energy: -1.242
local terms energy: -58.028618
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -7.955
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -12.717
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: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -128.498476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.498476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.498476 (E_RNA)
where:
Base-Base interactions energy: -81.996
where: short stacking energy: -35.792
Base-Backbone interact. energy: -0.401
local terms energy: -46.101807
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -8.347
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: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -79.851274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.851274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.851274 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -34.672
Base-Backbone interact. energy: 1.058
local terms energy: -44.680949
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -97.793820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.793820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.793820 (E_RNA)
where:
Base-Base interactions energy: -58.091
where: short stacking energy: -21.519
Base-Backbone interact. energy: 0.580
local terms energy: -40.283171
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -8.250
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -84.862862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.862862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.862862 (E_RNA)
where:
Base-Base interactions energy: -37.630
where: short stacking energy: -21.216
Base-Backbone interact. energy: -0.380
local terms energy: -46.852337
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -4.892
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -0.775
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: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -193.603267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.603267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.603267 (E_RNA)
where:
Base-Base interactions energy: -126.826
where: short stacking energy: -61.206
Base-Backbone interact. energy: -0.055
local terms energy: -66.722256
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -202.326410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.326410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.326410 (E_RNA)
where:
Base-Base interactions energy: -133.718
where: short stacking energy: -64.935
Base-Backbone interact. energy: -0.012
local terms energy: -68.596631
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -181.411575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.411575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.411575 (E_RNA)
where:
Base-Base interactions energy: -111.458
where: short stacking energy: -50.040
Base-Backbone interact. energy: -0.075
local terms energy: -69.878245
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -11.663
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: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -175.994081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.994081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.994081 (E_RNA)
where:
Base-Base interactions energy: -113.136
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.299
local terms energy: -62.558922
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -14.231
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: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -168.132282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.132282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.132282 (E_RNA)
where:
Base-Base interactions energy: -107.616
where: short stacking energy: -45.394
Base-Backbone interact. energy: -0.038
local terms energy: -60.477866
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -136.601118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.601118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.601118 (E_RNA)
where:
Base-Base interactions energy: -74.710
where: short stacking energy: -39.289
Base-Backbone interact. energy: -0.041
local terms energy: -61.849659
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -11.661
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: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -111.777542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.777542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.777542 (E_RNA)
where:
Base-Base interactions energy: -55.562
where: short stacking energy: -44.762
Base-Backbone interact. energy: -0.084
local terms energy: -56.131558
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -88.598672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.598672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.598672 (E_RNA)
where:
Base-Base interactions energy: -38.055
where: short stacking energy: -21.684
Base-Backbone interact. energy: -0.803
local terms energy: -49.739866
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: 0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -84.806458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.806458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.806458 (E_RNA)
where:
Base-Base interactions energy: -34.862
where: short stacking energy: -29.408
Base-Backbone interact. energy: 0.060
local terms energy: -50.004586
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -80.247243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.247243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.247243 (E_RNA)
where:
Base-Base interactions energy: -36.108
where: short stacking energy: -24.237
Base-Backbone interact. energy: -0.836
local terms energy: -43.302807
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -197.153997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.153997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.153997 (E_RNA)
where:
Base-Base interactions energy: -128.543
where: short stacking energy: -66.582
Base-Backbone interact. energy: -0.471
local terms energy: -68.139566
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -10.295
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: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -202.102729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.102729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.102729 (E_RNA)
where:
Base-Base interactions energy: -126.924
where: short stacking energy: -60.714
Base-Backbone interact. energy: -0.009
local terms energy: -75.169729
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -18.265
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: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -190.313203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.313203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.313203 (E_RNA)
where:
Base-Base interactions energy: -125.526
where: short stacking energy: -58.821
Base-Backbone interact. energy: -0.084
local terms energy: -64.702449
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -12.348
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: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -188.449104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.449104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.449104 (E_RNA)
where:
Base-Base interactions energy: -119.498
where: short stacking energy: -67.006
Base-Backbone interact. energy: -0.004
local terms energy: -68.947111
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -146.629210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.629210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.629210 (E_RNA)
where:
Base-Base interactions energy: -78.551
where: short stacking energy: -48.594
Base-Backbone interact. energy: -1.330
local terms energy: -66.747786
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -12.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -159.646427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.646427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.646427 (E_RNA)
where:
Base-Base interactions energy: -96.722
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.041
local terms energy: -62.883743
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -108.635462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.635462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.635462 (E_RNA)
where:
Base-Base interactions energy: -59.575
where: short stacking energy: -37.435
Base-Backbone interact. energy: -0.456
local terms energy: -48.604078
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -3.076
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -87.224629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.224629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.224629 (E_RNA)
where:
Base-Base interactions energy: -30.349
where: short stacking energy: -29.461
Base-Backbone interact. energy: -0.111
local terms energy: -56.764415
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -10.677
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: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -89.422466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.422466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.422466 (E_RNA)
where:
Base-Base interactions energy: -34.736
where: short stacking energy: -24.310
Base-Backbone interact. energy: -0.122
local terms energy: -54.564528
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -70.204457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.204457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.204457 (E_RNA)
where:
Base-Base interactions energy: -25.188
where: short stacking energy: -19.929
Base-Backbone interact. energy: -0.353
local terms energy: -44.663092
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -4.921
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: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -197.410981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.410981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.410981 (E_RNA)
where:
Base-Base interactions energy: -129.556
where: short stacking energy: -67.057
Base-Backbone interact. energy: -0.129
local terms energy: -67.725906
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -204.478962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.478962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.478962 (E_RNA)
where:
Base-Base interactions energy: -140.531
where: short stacking energy: -59.456
Base-Backbone interact. energy: -0.035
local terms energy: -63.912825
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -196.675566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.675566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.675566 (E_RNA)
where:
Base-Base interactions energy: -132.656
where: short stacking energy: -61.261
Base-Backbone interact. energy: 1.104
local terms energy: -65.123909
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -15.273
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: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -160.356947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.356947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.356947 (E_RNA)
where:
Base-Base interactions energy: -99.858
where: short stacking energy: -50.762
Base-Backbone interact. energy: -0.036
local terms energy: -60.463061
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -184.883335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.883335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.883335 (E_RNA)
where:
Base-Base interactions energy: -123.172
where: short stacking energy: -45.988
Base-Backbone interact. energy: -0.180
local terms energy: -61.530748
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -159.158344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.158344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.158344 (E_RNA)
where:
Base-Base interactions energy: -102.318
where: short stacking energy: -44.856
Base-Backbone interact. energy: -0.027
local terms energy: -56.812650
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -10.679
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: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -95.026806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.026806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.026806 (E_RNA)
where:
Base-Base interactions energy: -38.065
where: short stacking energy: -37.665
Base-Backbone interact. energy: -0.051
local terms energy: -56.911439
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -86.197143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.197143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.197143 (E_RNA)
where:
Base-Base interactions energy: -35.547
where: short stacking energy: -29.418
Base-Backbone interact. energy: 1.201
local terms energy: -51.851974
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -3.450
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: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -78.022446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.022446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.022446 (E_RNA)
where:
Base-Base interactions energy: -27.260
where: short stacking energy: -24.917
Base-Backbone interact. energy: -0.372
local terms energy: -50.390167
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -75.371237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.371237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.371237 (E_RNA)
where:
Base-Base interactions energy: -20.686
where: short stacking energy: -16.591
Base-Backbone interact. energy: -0.179
local terms energy: -54.505405
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: 0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -206.086848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.086848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.086848 (E_RNA)
where:
Base-Base interactions energy: -129.938
where: short stacking energy: -63.925
Base-Backbone interact. energy: -0.105
local terms energy: -76.043954
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -18.025
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: 298
Temperature: 0.950000
Total energy: -202.111919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.111919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.111919 (E_RNA)
where:
Base-Base interactions energy: -135.605
where: short stacking energy: -58.377
Base-Backbone interact. energy: 0.500
local terms energy: -67.006376
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -8.336
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: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -190.659284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.659284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.659284 (E_RNA)
where:
Base-Base interactions energy: -127.012
where: short stacking energy: -61.912
Base-Backbone interact. energy: -0.023
local terms energy: -63.623861
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -18.038
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: 4, replica: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -158.034761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.034761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.034761 (E_RNA)
where:
Base-Base interactions energy: -94.092
where: short stacking energy: -58.009
Base-Backbone interact. energy: -0.001
local terms energy: -63.941571
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -160.896227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.896227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.896227 (E_RNA)
where:
Base-Base interactions energy: -107.636
where: short stacking energy: -42.267
Base-Backbone interact. energy: -0.229
local terms energy: -53.031520
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -173.688292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.688292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.688292 (E_RNA)
where:
Base-Base interactions energy: -115.218
where: short stacking energy: -46.273
Base-Backbone interact. energy: -0.128
local terms energy: -58.341660
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -10.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -113.618665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.618665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.618665 (E_RNA)
where:
Base-Base interactions energy: -64.412
where: short stacking energy: -30.343
Base-Backbone interact. energy: -0.177
local terms energy: -49.029643
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -82.147859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.147859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.147859 (E_RNA)
where:
Base-Base interactions energy: -39.865
where: short stacking energy: -27.292
Base-Backbone interact. energy: 0.356
local terms energy: -42.639447
where:
bonds (distance) C4'-P energy: -7.140
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: 1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -85.562166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.562166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.562166 (E_RNA)
where:
Base-Base interactions energy: -41.573
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.062
local terms energy: -43.926976
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -1.433
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: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -82.754082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.754082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.754082 (E_RNA)
where:
Base-Base interactions energy: -35.545
where: short stacking energy: -34.501
Base-Backbone interact. energy: -0.775
local terms energy: -46.434339
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -7.982
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -210.865647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.865647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.865647 (E_RNA)
where:
Base-Base interactions energy: -135.980
where: short stacking energy: -65.975
Base-Backbone interact. energy: -0.001
local terms energy: -74.884392
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -16.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -205.745207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.745207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.745207 (E_RNA)
where:
Base-Base interactions energy: -133.972
where: short stacking energy: -69.144
Base-Backbone interact. energy: -1.145
local terms energy: -70.627897
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -17.522
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: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -204.373286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.373286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.373286 (E_RNA)
where:
Base-Base interactions energy: -134.833
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.069
local terms energy: -69.470930
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -9.719
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: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -167.485713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.485713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.485713 (E_RNA)
where:
Base-Base interactions energy: -101.212
where: short stacking energy: -59.546
Base-Backbone interact. energy: -0.168
local terms energy: -66.105261
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -162.693598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.693598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.693598 (E_RNA)
where:
Base-Base interactions energy: -94.423
where: short stacking energy: -51.103
Base-Backbone interact. energy: -0.006
local terms energy: -68.264050
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -9.152
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: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -155.956065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.956065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.956065 (E_RNA)
where:
Base-Base interactions energy: -99.703
where: short stacking energy: -44.967
Base-Backbone interact. energy: -1.760
local terms energy: -54.493487
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -96.387470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.387470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.387470 (E_RNA)
where:
Base-Base interactions energy: -40.848
where: short stacking energy: -31.554
Base-Backbone interact. energy: -0.025
local terms energy: -55.514314
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -81.093946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.093946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.093946 (E_RNA)
where:
Base-Base interactions energy: -35.028
where: short stacking energy: -31.409
Base-Backbone interact. energy: -0.105
local terms energy: -45.960755
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -0.484
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -84.689705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.689705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.689705 (E_RNA)
where:
Base-Base interactions energy: -32.417
where: short stacking energy: -27.216
Base-Backbone interact. energy: -0.130
local terms energy: -52.143087
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -83.259964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.259964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.259964 (E_RNA)
where:
Base-Base interactions energy: -38.909
where: short stacking energy: -34.835
Base-Backbone interact. energy: 0.355
local terms energy: -44.706035
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -6.799
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: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -195.170060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.170060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.170060 (E_RNA)
where:
Base-Base interactions energy: -117.039
where: short stacking energy: -60.777
Base-Backbone interact. energy: -0.040
local terms energy: -78.090789
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -17.916
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: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -196.577494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.577494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.577494 (E_RNA)
where:
Base-Base interactions energy: -122.846
where: short stacking energy: -54.549
Base-Backbone interact. energy: 0.043
local terms energy: -73.774514
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -179.622789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.622789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.622789 (E_RNA)
where:
Base-Base interactions energy: -112.926
where: short stacking energy: -44.233
Base-Backbone interact. energy: -1.033
local terms energy: -65.663119
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -181.692119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.692119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.692119 (E_RNA)
where:
Base-Base interactions energy: -121.076
where: short stacking energy: -42.735
Base-Backbone interact. energy: -0.589
local terms energy: -60.027150
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -155.974277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.974277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.974277 (E_RNA)
where:
Base-Base interactions energy: -100.835
where: short stacking energy: -48.315
Base-Backbone interact. energy: -0.545
local terms energy: -54.594732
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -7.257
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: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -150.337954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.337954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.337954 (E_RNA)
where:
Base-Base interactions energy: -91.770
where: short stacking energy: -38.190
Base-Backbone interact. energy: -0.750
local terms energy: -57.818343
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -11.539
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: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -91.724294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.724294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.724294 (E_RNA)
where:
Base-Base interactions energy: -39.257
where: short stacking energy: -25.132
Base-Backbone interact. energy: -0.160
local terms energy: -52.306767
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -91.008192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.008192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.008192 (E_RNA)
where:
Base-Base interactions energy: -45.063
where: short stacking energy: -40.204
Base-Backbone interact. energy: -0.211
local terms energy: -45.734574
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -87.349058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.349058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.349058 (E_RNA)
where:
Base-Base interactions energy: -45.404
where: short stacking energy: -35.314
Base-Backbone interact. energy: 0.186
local terms energy: -42.130258
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -4.152
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: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -81.535561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.535561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.535561 (E_RNA)
where:
Base-Base interactions energy: -37.455
where: short stacking energy: -18.565
Base-Backbone interact. energy: -0.570
local terms energy: -43.511361
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -2.889
tors. eta vs tors. theta energy: 1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -183.580779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.580779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.580779 (E_RNA)
where:
Base-Base interactions energy: -121.069
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.322
local terms energy: -62.189286
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -7.512
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: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -192.572025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.572025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.572025 (E_RNA)
where:
Base-Base interactions energy: -139.097
where: short stacking energy: -53.838
Base-Backbone interact. energy: -0.188
local terms energy: -53.287258
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -8.813
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -175.561807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.561807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.561807 (E_RNA)
where:
Base-Base interactions energy: -101.377
where: short stacking energy: -59.120
Base-Backbone interact. energy: -0.003
local terms energy: -74.181289
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.110
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: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -191.609259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.609259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.609259 (E_RNA)
where:
Base-Base interactions energy: -124.863
where: short stacking energy: -58.470
Base-Backbone interact. energy: -0.038
local terms energy: -66.708591
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -9.371
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: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -169.793552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.793552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.793552 (E_RNA)
where:
Base-Base interactions energy: -116.376
where: short stacking energy: -38.610
Base-Backbone interact. energy: -0.354
local terms energy: -53.063333
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -5.159
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: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -97.926260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.926260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.926260 (E_RNA)
where:
Base-Base interactions energy: -35.409
where: short stacking energy: -35.409
Base-Backbone interact. energy: -0.220
local terms energy: -62.297032
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -81.768245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.768245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.768245 (E_RNA)
where:
Base-Base interactions energy: -31.874
where: short stacking energy: -29.499
Base-Backbone interact. energy: -0.864
local terms energy: -49.031004
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -92.741682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.741682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.741682 (E_RNA)
where:
Base-Base interactions energy: -37.737
where: short stacking energy: -28.271
Base-Backbone interact. energy: -0.069
local terms energy: -54.936487
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -77.120632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.120632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.120632 (E_RNA)
where:
Base-Base interactions energy: -27.064
where: short stacking energy: -27.064
Base-Backbone interact. energy: -0.179
local terms energy: -49.877276
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -85.235877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.235877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.235877 (E_RNA)
where:
Base-Base interactions energy: -33.074
where: short stacking energy: -32.901
Base-Backbone interact. energy: 1.906
local terms energy: -54.067940
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -6.915
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: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -191.626763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.626763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.626763 (E_RNA)
where:
Base-Base interactions energy: -127.402
where: short stacking energy: -53.913
Base-Backbone interact. energy: -0.011
local terms energy: -64.213720
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -196.329746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.329746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.329746 (E_RNA)
where:
Base-Base interactions energy: -123.679
where: short stacking energy: -63.773
Base-Backbone interact. energy: -0.346
local terms energy: -72.305166
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -16.260
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: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -188.211654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.211654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.211654 (E_RNA)
where:
Base-Base interactions energy: -116.177
where: short stacking energy: -55.900
Base-Backbone interact. energy: -0.034
local terms energy: -72.000621
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -183.905454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.905454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.905454 (E_RNA)
where:
Base-Base interactions energy: -120.750
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.011
local terms energy: -63.144301
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -12.455
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: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -170.802822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.802822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.802822 (E_RNA)
where:
Base-Base interactions energy: -108.315
where: short stacking energy: -49.111
Base-Backbone interact. energy: -0.077
local terms energy: -62.410723
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -93.092183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.092183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.092183 (E_RNA)
where:
Base-Base interactions energy: -33.752
where: short stacking energy: -20.830
Base-Backbone interact. energy: -2.096
local terms energy: -57.244165
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -89.997921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.997921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.997921 (E_RNA)
where:
Base-Base interactions energy: -34.766
where: short stacking energy: -26.536
Base-Backbone interact. energy: -0.203
local terms energy: -55.028997
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -124.137754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.137754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.137754 (E_RNA)
where:
Base-Base interactions energy: -70.210
where: short stacking energy: -36.785
Base-Backbone interact. energy: 1.794
local terms energy: -55.721813
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -12.461
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: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -79.014271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.014271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.014271 (E_RNA)
where:
Base-Base interactions energy: -25.391
where: short stacking energy: -25.392
Base-Backbone interact. energy: -0.645
local terms energy: -52.978169
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.612
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: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -88.417223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.417223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.417223 (E_RNA)
where:
Base-Base interactions energy: -35.936
where: short stacking energy: -28.956
Base-Backbone interact. energy: -0.229
local terms energy: -52.252381
where:
bonds (distance) C4'-P energy: -6.662
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -201.710636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.710636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.710636 (E_RNA)
where:
Base-Base interactions energy: -125.634
where: short stacking energy: -70.297
Base-Backbone interact. energy: 1.017
local terms energy: -77.093143
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -184.084840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.084840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.084840 (E_RNA)
where:
Base-Base interactions energy: -106.217
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.102
local terms energy: -77.765316
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -20.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -196.365259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.365259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.365259 (E_RNA)
where:
Base-Base interactions energy: -130.546
where: short stacking energy: -57.824
Base-Backbone interact. energy: -0.464
local terms energy: -65.355756
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -13.399
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: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -171.708532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.708532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.708532 (E_RNA)
where:
Base-Base interactions energy: -104.907
where: short stacking energy: -64.294
Base-Backbone interact. energy: -0.102
local terms energy: -66.699164
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -12.113
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: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -187.198379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.198379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.198379 (E_RNA)
where:
Base-Base interactions energy: -128.152
where: short stacking energy: -59.664
Base-Backbone interact. energy: 1.120
local terms energy: -60.166173
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -9.265
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -94.633739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.633739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.633739 (E_RNA)
where:
Base-Base interactions energy: -43.666
where: short stacking energy: -42.875
Base-Backbone interact. energy: -0.107
local terms energy: -50.861017
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -10.804
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -7.100
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: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -91.234679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.234679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.234679 (E_RNA)
where:
Base-Base interactions energy: -32.749
where: short stacking energy: -25.012
Base-Backbone interact. energy: -0.235
local terms energy: -58.251324
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -146.325141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.325141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.325141 (E_RNA)
where:
Base-Base interactions energy: -94.527
where: short stacking energy: -41.921
Base-Backbone interact. energy: 0.173
local terms energy: -51.970942
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -9.016
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: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -83.103462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.103462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.103462 (E_RNA)
where:
Base-Base interactions energy: -30.121
where: short stacking energy: -30.121
Base-Backbone interact. energy: -1.127
local terms energy: -51.854542
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -5.093
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: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -86.327792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327792 (E_RNA)
where:
Base-Base interactions energy: -35.844
where: short stacking energy: -35.844
Base-Backbone interact. energy: -0.001
local terms energy: -50.482532
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -9.709
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: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -198.778243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.778243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.778243 (E_RNA)
where:
Base-Base interactions energy: -136.472
where: short stacking energy: -57.662
Base-Backbone interact. energy: -0.056
local terms energy: -62.250238
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -10.220
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -13.082
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: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -203.009516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.009516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.009516 (E_RNA)
where:
Base-Base interactions energy: -122.877
where: short stacking energy: -66.430
Base-Backbone interact. energy: -0.000
local terms energy: -80.132541
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -194.726090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.726090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.726090 (E_RNA)
where:
Base-Base interactions energy: -137.340
where: short stacking energy: -56.195
Base-Backbone interact. energy: -0.134
local terms energy: -57.251889
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -14.602
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: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -178.172780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.172780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.172780 (E_RNA)
where:
Base-Base interactions energy: -107.694
where: short stacking energy: -60.035
Base-Backbone interact. energy: -0.118
local terms energy: -70.361210
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -172.439127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.439127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.439127 (E_RNA)
where:
Base-Base interactions energy: -114.223
where: short stacking energy: -40.406
Base-Backbone interact. energy: -0.144
local terms energy: -58.071670
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -102.836029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.836029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.836029 (E_RNA)
where:
Base-Base interactions energy: -47.478
where: short stacking energy: -34.140
Base-Backbone interact. energy: -0.290
local terms energy: -55.067207
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -161.852445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.852445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.852445 (E_RNA)
where:
Base-Base interactions energy: -107.206
where: short stacking energy: -46.653
Base-Backbone interact. energy: 0.020
local terms energy: -54.667087
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -9.822
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: 8, replica: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -86.180899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.180899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.180899 (E_RNA)
where:
Base-Base interactions energy: -29.566
where: short stacking energy: -18.807
Base-Backbone interact. energy: -0.051
local terms energy: -56.563380
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -84.941675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.941675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.941675 (E_RNA)
where:
Base-Base interactions energy: -28.384
where: short stacking energy: -18.963
Base-Backbone interact. energy: -0.148
local terms energy: -56.410418
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -7.735
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: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -77.504753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.504753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.504753 (E_RNA)
where:
Base-Base interactions energy: -28.938
where: short stacking energy: -19.871
Base-Backbone interact. energy: -0.381
local terms energy: -48.186457
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: 2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -209.481014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.481014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.481014 (E_RNA)
where:
Base-Base interactions energy: -135.621
where: short stacking energy: -63.140
Base-Backbone interact. energy: -0.014
local terms energy: -73.845668
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -207.101079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.101079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.101079 (E_RNA)
where:
Base-Base interactions energy: -131.137
where: short stacking energy: -67.232
Base-Backbone interact. energy: -0.001
local terms energy: -75.963167
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -182.193218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.193218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.193218 (E_RNA)
where:
Base-Base interactions energy: -110.117
where: short stacking energy: -58.106
Base-Backbone interact. energy: -0.088
local terms energy: -71.988431
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -169.910984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.910984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.910984 (E_RNA)
where:
Base-Base interactions energy: -98.998
where: short stacking energy: -52.454
Base-Backbone interact. energy: -0.005
local terms energy: -70.907785
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -148.827092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.827092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.827092 (E_RNA)
where:
Base-Base interactions energy: -91.837
where: short stacking energy: -45.542
Base-Backbone interact. energy: -0.183
local terms energy: -56.806151
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -158.779001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.779001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.779001 (E_RNA)
where:
Base-Base interactions energy: -102.337
where: short stacking energy: -36.566
Base-Backbone interact. energy: -0.285
local terms energy: -56.156647
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -9.549
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: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -94.904196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.904196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.904196 (E_RNA)
where:
Base-Base interactions energy: -46.811
where: short stacking energy: -30.951
Base-Backbone interact. energy: -0.364
local terms energy: -47.729141
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -3.132
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: 8, replica: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -93.774210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.774210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.774210 (E_RNA)
where:
Base-Base interactions energy: -37.313
where: short stacking energy: -37.313
Base-Backbone interact. energy: -0.141
local terms energy: -56.319957
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -77.978308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.978308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.978308 (E_RNA)
where:
Base-Base interactions energy: -34.773
where: short stacking energy: -34.773
Base-Backbone interact. energy: 0.735
local terms energy: -43.940519
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -91.534387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.534387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.534387 (E_RNA)
where:
Base-Base interactions energy: -44.821
where: short stacking energy: -29.219
Base-Backbone interact. energy: -0.235
local terms energy: -46.478636
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -9.159
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -210.464753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.464753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.464753 (E_RNA)
where:
Base-Base interactions energy: -137.888
where: short stacking energy: -56.773
Base-Backbone interact. energy: -0.373
local terms energy: -72.203406
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -205.521476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.521476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.521476 (E_RNA)
where:
Base-Base interactions energy: -134.068
where: short stacking energy: -56.617
Base-Backbone interact. energy: -1.168
local terms energy: -70.285551
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -14.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -177.599726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.599726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.599726 (E_RNA)
where:
Base-Base interactions energy: -113.850
where: short stacking energy: -60.781
Base-Backbone interact. energy: -0.032
local terms energy: -63.717860
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -14.784
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: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -180.260088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.260088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.260088 (E_RNA)
where:
Base-Base interactions energy: -103.049
where: short stacking energy: -64.007
Base-Backbone interact. energy: -0.001
local terms energy: -77.210265
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -149.150069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.150069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.150069 (E_RNA)
where:
Base-Base interactions energy: -94.034
where: short stacking energy: -51.207
Base-Backbone interact. energy: -0.635
local terms energy: -54.480826
where:
bonds (distance) C4'-P energy: -6.820
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -164.028184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.028184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.028184 (E_RNA)
where:
Base-Base interactions energy: -98.269
where: short stacking energy: -45.716
Base-Backbone interact. energy: -0.154
local terms energy: -65.605880
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -95.825394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.825394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.825394 (E_RNA)
where:
Base-Base interactions energy: -35.394
where: short stacking energy: -34.486
Base-Backbone interact. energy: -0.286
local terms energy: -60.145922
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -9.323
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: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -92.481552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.481552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.481552 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -27.558
Base-Backbone interact. energy: -0.107
local terms energy: -62.853624
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -87.289654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.289654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.289654 (E_RNA)
where:
Base-Base interactions energy: -40.699
where: short stacking energy: -27.333
Base-Backbone interact. energy: -0.861
local terms energy: -45.729695
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -2.816
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -72.741867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.741867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.741867 (E_RNA)
where:
Base-Base interactions energy: -29.903
where: short stacking energy: -19.130
Base-Backbone interact. energy: 1.182
local terms energy: -44.020522
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: 0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -206.837596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.837596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.837596 (E_RNA)
where:
Base-Base interactions energy: -134.679
where: short stacking energy: -61.187
Base-Backbone interact. energy: -0.083
local terms energy: -72.076004
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -201.888007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.888007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.888007 (E_RNA)
where:
Base-Base interactions energy: -130.480
where: short stacking energy: -69.826
Base-Backbone interact. energy: -0.010
local terms energy: -71.397486
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -180.988860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.988860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.988860 (E_RNA)
where:
Base-Base interactions energy: -105.231
where: short stacking energy: -56.674
Base-Backbone interact. energy: -1.408
local terms energy: -74.349839
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -175.986677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.986677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.986677 (E_RNA)
where:
Base-Base interactions energy: -101.102
where: short stacking energy: -58.385
Base-Backbone interact. energy: -0.025
local terms energy: -74.859189
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -154.273809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.273809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.273809 (E_RNA)
where:
Base-Base interactions energy: -89.200
where: short stacking energy: -49.028
Base-Backbone interact. energy: -0.081
local terms energy: -64.993592
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -11.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -93.783976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.783976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.783976 (E_RNA)
where:
Base-Base interactions energy: -31.464
where: short stacking energy: -29.302
Base-Backbone interact. energy: -0.326
local terms energy: -61.994161
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -2.367
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: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -145.530716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.530716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.530716 (E_RNA)
where:
Base-Base interactions energy: -81.679
where: short stacking energy: -38.377
Base-Backbone interact. energy: -0.125
local terms energy: -63.726695
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -88.835282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.835282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.835282 (E_RNA)
where:
Base-Base interactions energy: -36.654
where: short stacking energy: -33.465
Base-Backbone interact. energy: -0.004
local terms energy: -52.176949
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -82.705313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.705313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.705313 (E_RNA)
where:
Base-Base interactions energy: -33.599
where: short stacking energy: -31.365
Base-Backbone interact. energy: -0.188
local terms energy: -48.918730
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -5.909
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -78.971370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.971370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.971370 (E_RNA)
where:
Base-Base interactions energy: -40.230
where: short stacking energy: -25.124
Base-Backbone interact. energy: -0.680
local terms energy: -38.061739
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: 2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -206.583320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.583320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.583320 (E_RNA)
where:
Base-Base interactions energy: -131.500
where: short stacking energy: -68.262
Base-Backbone interact. energy: -0.305
local terms energy: -74.778398
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -197.310283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.310283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.310283 (E_RNA)
where:
Base-Base interactions energy: -130.764
where: short stacking energy: -56.105
Base-Backbone interact. energy: 0.027
local terms energy: -66.574081
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -171.122726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.122726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.122726 (E_RNA)
where:
Base-Base interactions energy: -99.460
where: short stacking energy: -56.729
Base-Backbone interact. energy: -0.011
local terms energy: -71.652283
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -18.425
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: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -176.760478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.760478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.760478 (E_RNA)
where:
Base-Base interactions energy: -105.245
where: short stacking energy: -60.759
Base-Backbone interact. energy: -0.018
local terms energy: -71.497318
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -14.779
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: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -156.152749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.152749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.152749 (E_RNA)
where:
Base-Base interactions energy: -88.125
where: short stacking energy: -46.197
Base-Backbone interact. energy: -0.009
local terms energy: -68.018682
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -9.818
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: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -96.205823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.205823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.205823 (E_RNA)
where:
Base-Base interactions energy: -39.090
where: short stacking energy: -39.090
Base-Backbone interact. energy: -0.156
local terms energy: -56.960016
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -112.271611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.271611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.271611 (E_RNA)
where:
Base-Base interactions energy: -52.524
where: short stacking energy: -47.110
Base-Backbone interact. energy: -0.954
local terms energy: -58.793740
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -140.500830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.500830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.500830 (E_RNA)
where:
Base-Base interactions energy: -93.134
where: short stacking energy: -42.137
Base-Backbone interact. energy: -0.198
local terms energy: -47.169290
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -10.222
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -90.810696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.810696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.810696 (E_RNA)
where:
Base-Base interactions energy: -37.648
where: short stacking energy: -13.747
Base-Backbone interact. energy: 0.324
local terms energy: -53.485934
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: 1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -82.805990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.805990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.805990 (E_RNA)
where:
Base-Base interactions energy: -29.805
where: short stacking energy: -26.747
Base-Backbone interact. energy: -0.557
local terms energy: -52.444271
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -6.703
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: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -191.447136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.447136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.447136 (E_RNA)
where:
Base-Base interactions energy: -129.511
where: short stacking energy: -55.682
Base-Backbone interact. energy: -0.019
local terms energy: -61.916894
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -204.484995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.484995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.484995 (E_RNA)
where:
Base-Base interactions energy: -140.119
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.013
local terms energy: -64.352776
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -171.780192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.780192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.780192 (E_RNA)
where:
Base-Base interactions energy: -113.703
where: short stacking energy: -51.179
Base-Backbone interact. energy: -0.143
local terms energy: -57.934639
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -8.829
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -10.430
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: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -168.115687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.115687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.115687 (E_RNA)
where:
Base-Base interactions energy: -98.124
where: short stacking energy: -45.584
Base-Backbone interact. energy: -0.284
local terms energy: -69.707055
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -157.369035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.369035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.369035 (E_RNA)
where:
Base-Base interactions energy: -99.663
where: short stacking energy: -55.102
Base-Backbone interact. energy: -0.077
local terms energy: -57.628518
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -97.547095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.547095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.547095 (E_RNA)
where:
Base-Base interactions energy: -43.550
where: short stacking energy: -33.847
Base-Backbone interact. energy: -0.344
local terms energy: -53.652488
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -96.379069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.379069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.379069 (E_RNA)
where:
Base-Base interactions energy: -41.464
where: short stacking energy: -36.453
Base-Backbone interact. energy: -0.187
local terms energy: -54.728157
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -90.726670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.726670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.726670 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -35.836
Base-Backbone interact. energy: -0.579
local terms energy: -54.312087
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -146.296164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.296164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.296164 (E_RNA)
where:
Base-Base interactions energy: -87.453
where: short stacking energy: -42.425
Base-Backbone interact. energy: -0.218
local terms energy: -58.625121
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -10.990
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: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -93.265639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.265639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.265639 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -22.761
Base-Backbone interact. energy: -0.285
local terms energy: -48.099036
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -2.095
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: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -202.738939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.738939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.738939 (E_RNA)
where:
Base-Base interactions energy: -134.489
where: short stacking energy: -65.176
Base-Backbone interact. energy: -0.007
local terms energy: -68.242864
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -11.188
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: 310
Temperature: 0.950000
Total energy: -189.051797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.051797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.051797 (E_RNA)
where:
Base-Base interactions energy: -117.820
where: short stacking energy: -50.685
Base-Backbone interact. energy: -0.085
local terms energy: -71.147119
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -14.073
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: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -177.629424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.629424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.629424 (E_RNA)
where:
Base-Base interactions energy: -113.009
where: short stacking energy: -65.128
Base-Backbone interact. energy: -0.010
local terms energy: -64.610424
where:
bonds (distance) C4'-P energy: -8.904
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -12.347
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: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -166.800965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.800965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.800965 (E_RNA)
where:
Base-Base interactions energy: -109.545
where: short stacking energy: -45.649
Base-Backbone interact. energy: 1.332
local terms energy: -58.587972
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -8.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -151.953004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.953004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.953004 (E_RNA)
where:
Base-Base interactions energy: -88.325
where: short stacking energy: -47.334
Base-Backbone interact. energy: -0.051
local terms energy: -63.577060
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -8.142
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: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -101.239819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.239819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.239819 (E_RNA)
where:
Base-Base interactions energy: -40.934
where: short stacking energy: -39.744
Base-Backbone interact. energy: -0.234
local terms energy: -60.071363
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -12.237
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: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -95.940076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.940076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.940076 (E_RNA)
where:
Base-Base interactions energy: -43.111
where: short stacking energy: -33.895
Base-Backbone interact. energy: -0.032
local terms energy: -52.796995
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -4.883
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -93.848604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.848604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.848604 (E_RNA)
where:
Base-Base interactions energy: -45.238
where: short stacking energy: -39.140
Base-Backbone interact. energy: -0.114
local terms energy: -48.496326
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -4.607
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: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -88.963142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.963142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.963142 (E_RNA)
where:
Base-Base interactions energy: -30.195
where: short stacking energy: -30.195
Base-Backbone interact. energy: -0.936
local terms energy: -57.831611
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -7.508
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: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -132.819561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.819561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.819561 (E_RNA)
where:
Base-Base interactions energy: -77.653
where: short stacking energy: -32.692
Base-Backbone interact. energy: -0.306
local terms energy: -54.860761
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -7.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -214.932878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.932878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.932878 (E_RNA)
where:
Base-Base interactions energy: -143.998
where: short stacking energy: -67.439
Base-Backbone interact. energy: -0.011
local terms energy: -70.923542
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -15.775
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: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -180.316724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.316724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.316724 (E_RNA)
where:
Base-Base interactions energy: -114.849
where: short stacking energy: -53.123
Base-Backbone interact. energy: -0.267
local terms energy: -65.201497
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -11.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -174.642362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.642362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.642362 (E_RNA)
where:
Base-Base interactions energy: -108.278
where: short stacking energy: -51.440
Base-Backbone interact. energy: -0.711
local terms energy: -65.653323
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -6.976
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: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -159.777508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.777508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.777508 (E_RNA)
where:
Base-Base interactions energy: -96.780
where: short stacking energy: -59.974
Base-Backbone interact. energy: -0.449
local terms energy: -62.548638
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -161.748016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.748016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.748016 (E_RNA)
where:
Base-Base interactions energy: -105.325
where: short stacking energy: -46.619
Base-Backbone interact. energy: -0.200
local terms energy: -56.223145
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -129.404458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.404458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.404458 (E_RNA)
where:
Base-Base interactions energy: -67.800
where: short stacking energy: -40.443
Base-Backbone interact. energy: 1.163
local terms energy: -62.766546
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -9.209
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: 311
Temperature: 1.200000
Total energy: -82.639144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.639144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.639144 (E_RNA)
where:
Base-Base interactions energy: -30.052
where: short stacking energy: -28.736
Base-Backbone interact. energy: -0.162
local terms energy: -52.424573
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -83.567846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.567846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.567846 (E_RNA)
where:
Base-Base interactions energy: -31.480
where: short stacking energy: -25.349
Base-Backbone interact. energy: -0.423
local terms energy: -51.665378
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -94.049580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.049580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.049580 (E_RNA)
where:
Base-Base interactions energy: -42.130
where: short stacking energy: -27.959
Base-Backbone interact. energy: -0.068
local terms energy: -51.852525
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -82.647380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.647380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.647380 (E_RNA)
where:
Base-Base interactions energy: -29.391
where: short stacking energy: -29.391
Base-Backbone interact. energy: -0.181
local terms energy: -53.075491
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -199.179373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.179373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.179373 (E_RNA)
where:
Base-Base interactions energy: -125.559
where: short stacking energy: -53.725
Base-Backbone interact. energy: -0.114
local terms energy: -73.506040
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -209.604971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.604971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.604971 (E_RNA)
where:
Base-Base interactions energy: -142.138
where: short stacking energy: -62.323
Base-Backbone interact. energy: -0.027
local terms energy: -67.439809
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -162.111202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.111202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.111202 (E_RNA)
where:
Base-Base interactions energy: -110.532
where: short stacking energy: -48.685
Base-Backbone interact. energy: -0.304
local terms energy: -51.275011
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -7.994
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -158.638227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.638227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.638227 (E_RNA)
where:
Base-Base interactions energy: -91.741
where: short stacking energy: -46.678
Base-Backbone interact. energy: -0.123
local terms energy: -66.774253
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -9.597
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: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -179.168229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.168229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.168229 (E_RNA)
where:
Base-Base interactions energy: -120.810
where: short stacking energy: -57.437
Base-Backbone interact. energy: 0.284
local terms energy: -58.641923
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -11.198
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -11.238
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: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -159.301608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.301608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.301608 (E_RNA)
where:
Base-Base interactions energy: -96.443
where: short stacking energy: -54.496
Base-Backbone interact. energy: -1.246
local terms energy: -61.612866
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -10.924
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: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -93.238777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.238777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.238777 (E_RNA)
where:
Base-Base interactions energy: -33.124
where: short stacking energy: -33.068
Base-Backbone interact. energy: -0.133
local terms energy: -59.982086
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -12.527
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: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -85.171946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.171946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.171946 (E_RNA)
where:
Base-Base interactions energy: -30.729
where: short stacking energy: -30.729
Base-Backbone interact. energy: -0.006
local terms energy: -54.436398
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -8.557
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: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -92.192717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.192717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.192717 (E_RNA)
where:
Base-Base interactions energy: -30.243
where: short stacking energy: -29.465
Base-Backbone interact. energy: 0.248
local terms energy: -62.197954
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -81.213886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.213886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.213886 (E_RNA)
where:
Base-Base interactions energy: -31.768
where: short stacking energy: -23.329
Base-Backbone interact. energy: -0.019
local terms energy: -49.426865
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -6.723
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: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -197.957731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.957731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.957731 (E_RNA)
where:
Base-Base interactions energy: -122.117
where: short stacking energy: -60.354
Base-Backbone interact. energy: 0.718
local terms energy: -76.559462
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -206.856734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.856734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.856734 (E_RNA)
where:
Base-Base interactions energy: -143.245
where: short stacking energy: -57.751
Base-Backbone interact. energy: -0.005
local terms energy: -63.607180
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -181.160243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.160243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.160243 (E_RNA)
where:
Base-Base interactions energy: -116.586
where: short stacking energy: -55.299
Base-Backbone interact. energy: -0.023
local terms energy: -64.551565
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -10.383
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: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -188.486964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.486964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.486964 (E_RNA)
where:
Base-Base interactions energy: -116.374
where: short stacking energy: -47.381
Base-Backbone interact. energy: -0.225
local terms energy: -71.888783
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -165.681350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.681350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.681350 (E_RNA)
where:
Base-Base interactions energy: -102.791
where: short stacking energy: -41.794
Base-Backbone interact. energy: -0.046
local terms energy: -62.844825
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -161.835916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.835916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.835916 (E_RNA)
where:
Base-Base interactions energy: -112.592
where: short stacking energy: -49.921
Base-Backbone interact. energy: 0.618
local terms energy: -49.861641
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -3.793
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -88.804100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.804100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.804100 (E_RNA)
where:
Base-Base interactions energy: -39.013
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.138
local terms energy: -49.652261
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -2.755
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -85.710298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.710298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.710298 (E_RNA)
where:
Base-Base interactions energy: -36.770
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.119
local terms energy: -48.821013
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -73.285919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.285919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.285919 (E_RNA)
where:
Base-Base interactions energy: -23.402
where: short stacking energy: -17.079
Base-Backbone interact. energy: -0.568
local terms energy: -49.316122
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: 1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -83.780653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.780653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.780653 (E_RNA)
where:
Base-Base interactions energy: -29.838
where: short stacking energy: -22.707
Base-Backbone interact. energy: -0.888
local terms energy: -53.055087
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -209.803982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.803982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.803982 (E_RNA)
where:
Base-Base interactions energy: -138.646
where: short stacking energy: -64.267
Base-Backbone interact. energy: -0.677
local terms energy: -70.480609
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -11.961
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: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -207.417587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.417587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.417587 (E_RNA)
where:
Base-Base interactions energy: -135.910
where: short stacking energy: -65.058
Base-Backbone interact. energy: -0.152
local terms energy: -71.354905
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -198.565940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.565940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.565940 (E_RNA)
where:
Base-Base interactions energy: -134.984
where: short stacking energy: -53.654
Base-Backbone interact. energy: -0.057
local terms energy: -63.524357
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -172.272228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.272228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.272228 (E_RNA)
where:
Base-Base interactions energy: -109.218
where: short stacking energy: -56.981
Base-Backbone interact. energy: -0.032
local terms energy: -63.021479
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -164.291580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.291580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.291580 (E_RNA)
where:
Base-Base interactions energy: -97.885
where: short stacking energy: -55.333
Base-Backbone interact. energy: -0.103
local terms energy: -66.303588
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -163.964745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.964745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.964745 (E_RNA)
where:
Base-Base interactions energy: -91.490
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.058
local terms energy: -72.416161
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -102.355595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.355595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.355595 (E_RNA)
where:
Base-Base interactions energy: -48.813
where: short stacking energy: -32.130
Base-Backbone interact. energy: -0.152
local terms energy: -53.390385
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.206
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: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -85.454073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.454073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.454073 (E_RNA)
where:
Base-Base interactions energy: -32.076
where: short stacking energy: -29.863
Base-Backbone interact. energy: -0.259
local terms energy: -53.118959
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -84.684948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.684948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.684948 (E_RNA)
where:
Base-Base interactions energy: -33.723
where: short stacking energy: -33.723
Base-Backbone interact. energy: -0.004
local terms energy: -50.957571
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -86.842174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.842174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.842174 (E_RNA)
where:
Base-Base interactions energy: -34.173
where: short stacking energy: -31.676
Base-Backbone interact. energy: -0.115
local terms energy: -52.553869
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -206.387005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.387005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.387005 (E_RNA)
where:
Base-Base interactions energy: -138.548
where: short stacking energy: -65.680
Base-Backbone interact. energy: -0.056
local terms energy: -67.783160
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -203.737396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.737396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.737396 (E_RNA)
where:
Base-Base interactions energy: -127.633
where: short stacking energy: -66.008
Base-Backbone interact. energy: -0.145
local terms energy: -75.959755
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -198.259294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.259294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.259294 (E_RNA)
where:
Base-Base interactions energy: -131.975
where: short stacking energy: -64.499
Base-Backbone interact. energy: -0.572
local terms energy: -65.712368
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -157.248389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.248389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.248389 (E_RNA)
where:
Base-Base interactions energy: -90.278
where: short stacking energy: -47.737
Base-Backbone interact. energy: -0.104
local terms energy: -66.867007
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.997
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: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -155.105888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.105888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.105888 (E_RNA)
where:
Base-Base interactions energy: -96.942
where: short stacking energy: -52.018
Base-Backbone interact. energy: -0.074
local terms energy: -58.089287
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -10.552
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: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -158.332789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.332789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.332789 (E_RNA)
where:
Base-Base interactions energy: -97.515
where: short stacking energy: -52.437
Base-Backbone interact. energy: -0.065
local terms energy: -60.753757
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -92.381742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.381742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.381742 (E_RNA)
where:
Base-Base interactions energy: -34.635
where: short stacking energy: -27.234
Base-Backbone interact. energy: -0.450
local terms energy: -57.297157
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -104.893448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.893448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.893448 (E_RNA)
where:
Base-Base interactions energy: -42.730
where: short stacking energy: -42.730
Base-Backbone interact. energy: -0.081
local terms energy: -62.082053
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -7.597
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: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -84.453999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.453999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.453999 (E_RNA)
where:
Base-Base interactions energy: -37.301
where: short stacking energy: -33.954
Base-Backbone interact. energy: -0.148
local terms energy: -47.004765
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -81.302507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.302507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.302507 (E_RNA)
where:
Base-Base interactions energy: -39.941
where: short stacking energy: -23.863
Base-Backbone interact. energy: -0.353
local terms energy: -41.008106
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -1.652
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -211.372129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.372129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.372129 (E_RNA)
where:
Base-Base interactions energy: -138.213
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.018
local terms energy: -73.140821
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -14.934
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: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -205.908035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.908035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.908035 (E_RNA)
where:
Base-Base interactions energy: -138.784
where: short stacking energy: -56.757
Base-Backbone interact. energy: -0.496
local terms energy: -66.628067
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -197.854176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.854176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.854176 (E_RNA)
where:
Base-Base interactions energy: -122.303
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.142
local terms energy: -75.409829
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -165.397642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.397642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.397642 (E_RNA)
where:
Base-Base interactions energy: -107.023
where: short stacking energy: -53.574
Base-Backbone interact. energy: -0.033
local terms energy: -58.341977
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -8.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -158.077036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.077036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.077036 (E_RNA)
where:
Base-Base interactions energy: -104.365
where: short stacking energy: -48.159
Base-Backbone interact. energy: -0.258
local terms energy: -53.454095
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -5.786
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: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -153.154142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.154142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.154142 (E_RNA)
where:
Base-Base interactions energy: -90.131
where: short stacking energy: -52.438
Base-Backbone interact. energy: -0.128
local terms energy: -62.895531
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -11.922
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: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -88.480990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.480990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.480990 (E_RNA)
where:
Base-Base interactions energy: -29.264
where: short stacking energy: -26.832
Base-Backbone interact. energy: 0.018
local terms energy: -59.234651
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -100.919333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.919333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.919333 (E_RNA)
where:
Base-Base interactions energy: -50.762
where: short stacking energy: -41.547
Base-Backbone interact. energy: -0.077
local terms energy: -50.080045
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -5.131
flat angles P-C4'-P energy: -3.396
tors. eta vs tors. theta energy: -13.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -90.189776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.189776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.189776 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -42.130
Base-Backbone interact. energy: -0.286
local terms energy: -47.400698
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -3.990
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: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -78.780966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.780966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.780966 (E_RNA)
where:
Base-Base interactions energy: -31.115
where: short stacking energy: -26.909
Base-Backbone interact. energy: -0.965
local terms energy: -46.701702
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -200.793494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.793494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.793494 (E_RNA)
where:
Base-Base interactions energy: -137.682
where: short stacking energy: -60.445
Base-Backbone interact. energy: -0.010
local terms energy: -63.101244
where:
bonds (distance) C4'-P energy: -8.463
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -205.525851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.525851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.525851 (E_RNA)
where:
Base-Base interactions energy: -141.919
where: short stacking energy: -56.863
Base-Backbone interact. energy: -0.497
local terms energy: -63.109620
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -18.399
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: 317
Temperature: 1.000000
Total energy: -190.769633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.769633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.769633 (E_RNA)
where:
Base-Base interactions energy: -120.904
where: short stacking energy: -63.318
Base-Backbone interact. energy: -0.071
local terms energy: -69.795054
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -179.561074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.561074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.561074 (E_RNA)
where:
Base-Base interactions energy: -119.882
where: short stacking energy: -52.185
Base-Backbone interact. energy: -0.179
local terms energy: -59.499960
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -163.019373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.019373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.019373 (E_RNA)
where:
Base-Base interactions energy: -101.563
where: short stacking energy: -41.265
Base-Backbone interact. energy: -0.390
local terms energy: -61.066236
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -9.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -167.797209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.797209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.797209 (E_RNA)
where:
Base-Base interactions energy: -103.933
where: short stacking energy: -49.375
Base-Backbone interact. energy: -0.273
local terms energy: -63.590559
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -85.380786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.380786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.380786 (E_RNA)
where:
Base-Base interactions energy: -36.646
where: short stacking energy: -30.190
Base-Backbone interact. energy: -0.154
local terms energy: -48.580553
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: 2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -81.449952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.449952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.449952 (E_RNA)
where:
Base-Base interactions energy: -36.321
where: short stacking energy: -24.057
Base-Backbone interact. energy: -0.926
local terms energy: -44.203297
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: 1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -84.374298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.374298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.374298 (E_RNA)
where:
Base-Base interactions energy: -46.219
where: short stacking energy: -35.950
Base-Backbone interact. energy: -0.137
local terms energy: -38.017993
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: 1.396
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: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -77.432723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.432723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.432723 (E_RNA)
where:
Base-Base interactions energy: -31.861
where: short stacking energy: -31.861
Base-Backbone interact. energy: -0.231
local terms energy: -45.341363
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.569
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: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -209.257299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.257299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.257299 (E_RNA)
where:
Base-Base interactions energy: -143.841
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.312
local terms energy: -65.104795
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -9.373
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: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -201.107140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.107140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.107140 (E_RNA)
where:
Base-Base interactions energy: -124.612
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.002
local terms energy: -76.493159
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -193.788301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.788301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.788301 (E_RNA)
where:
Base-Base interactions energy: -125.814
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.173
local terms energy: -67.802134
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -14.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -182.614979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.614979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.614979 (E_RNA)
where:
Base-Base interactions energy: -114.059
where: short stacking energy: -56.117
Base-Backbone interact. energy: 0.134
local terms energy: -68.690042
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -167.693931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.693931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.693931 (E_RNA)
where:
Base-Base interactions energy: -101.919
where: short stacking energy: -42.080
Base-Backbone interact. energy: 0.511
local terms energy: -66.286798
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -156.426314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.426314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.426314 (E_RNA)
where:
Base-Base interactions energy: -91.709
where: short stacking energy: -49.192
Base-Backbone interact. energy: -0.098
local terms energy: -64.618604
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -13.673
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: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -95.116731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.116731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.116731 (E_RNA)
where:
Base-Base interactions energy: -41.982
where: short stacking energy: -41.982
Base-Backbone interact. energy: -0.066
local terms energy: -53.068943
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -88.645418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.645418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.645418 (E_RNA)
where:
Base-Base interactions energy: -35.616
where: short stacking energy: -35.616
Base-Backbone interact. energy: -0.003
local terms energy: -53.025460
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -89.116678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.116678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.116678 (E_RNA)
where:
Base-Base interactions energy: -44.134
where: short stacking energy: -24.855
Base-Backbone interact. energy: -0.256
local terms energy: -44.727138
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -77.517364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.517364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.517364 (E_RNA)
where:
Base-Base interactions energy: -29.442
where: short stacking energy: -21.558
Base-Backbone interact. energy: -0.268
local terms energy: -47.807207
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -13.127
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: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -203.080797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.080797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.080797 (E_RNA)
where:
Base-Base interactions energy: -127.897
where: short stacking energy: -56.264
Base-Backbone interact. energy: -0.058
local terms energy: -75.125689
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -13.613
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: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -199.726516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.726516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.726516 (E_RNA)
where:
Base-Base interactions energy: -128.750
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.092
local terms energy: -70.884449
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -192.337118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.337118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.337118 (E_RNA)
where:
Base-Base interactions energy: -125.343
where: short stacking energy: -61.140
Base-Backbone interact. energy: -0.008
local terms energy: -66.986101
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -12.773
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: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -192.107473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.107473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.107473 (E_RNA)
where:
Base-Base interactions energy: -119.963
where: short stacking energy: -58.091
Base-Backbone interact. energy: -0.431
local terms energy: -71.713372
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -164.438062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.438062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.438062 (E_RNA)
where:
Base-Base interactions energy: -101.976
where: short stacking energy: -48.992
Base-Backbone interact. energy: 0.058
local terms energy: -62.520123
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -163.099724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.099724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.099724 (E_RNA)
where:
Base-Base interactions energy: -102.033
where: short stacking energy: -46.633
Base-Backbone interact. energy: 0.623
local terms energy: -61.689788
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -97.509820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.509820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.509820 (E_RNA)
where:
Base-Base interactions energy: -44.451
where: short stacking energy: -20.592
Base-Backbone interact. energy: 0.308
local terms energy: -53.367599
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -3.496
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: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -102.497304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.497304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.497304 (E_RNA)
where:
Base-Base interactions energy: -45.195
where: short stacking energy: -44.345
Base-Backbone interact. energy: -0.204
local terms energy: -57.097977
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -9.036
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: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -91.650264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.650264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.650264 (E_RNA)
where:
Base-Base interactions energy: -43.628
where: short stacking energy: -42.091
Base-Backbone interact. energy: 0.806
local terms energy: -48.828071
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -5.871
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: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -87.609240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.609240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.609240 (E_RNA)
where:
Base-Base interactions energy: -35.377
where: short stacking energy: -27.879
Base-Backbone interact. energy: 0.260
local terms energy: -52.492249
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -200.460440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.460440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.460440 (E_RNA)
where:
Base-Base interactions energy: -127.207
where: short stacking energy: -68.056
Base-Backbone interact. energy: -0.020
local terms energy: -73.232963
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -204.846639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.846639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.846639 (E_RNA)
where:
Base-Base interactions energy: -134.206
where: short stacking energy: -65.128
Base-Backbone interact. energy: -0.548
local terms energy: -70.092064
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -12.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -200.177316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.177316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.177316 (E_RNA)
where:
Base-Base interactions energy: -128.360
where: short stacking energy: -56.017
Base-Backbone interact. energy: -0.661
local terms energy: -71.156715
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -15.261
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: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -187.398823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.398823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.398823 (E_RNA)
where:
Base-Base interactions energy: -124.230
where: short stacking energy: -56.078
Base-Backbone interact. energy: -0.215
local terms energy: -62.953617
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -163.885712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.885712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.885712 (E_RNA)
where:
Base-Base interactions energy: -105.740
where: short stacking energy: -51.770
Base-Backbone interact. energy: -0.018
local terms energy: -58.127219
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -165.457760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.457760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.457760 (E_RNA)
where:
Base-Base interactions energy: -106.287
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.115
local terms energy: -59.055888
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -9.203
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: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -91.443762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.443762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.443762 (E_RNA)
where:
Base-Base interactions energy: -40.513
where: short stacking energy: -23.155
Base-Backbone interact. energy: -0.070
local terms energy: -50.861310
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -80.508776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.508776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.508776 (E_RNA)
where:
Base-Base interactions energy: -27.960
where: short stacking energy: -27.960
Base-Backbone interact. energy: -0.331
local terms energy: -52.218177
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -77.766993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.766993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.766993 (E_RNA)
where:
Base-Base interactions energy: -29.583
where: short stacking energy: -29.583
Base-Backbone interact. energy: 0.612
local terms energy: -48.796213
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -10.195
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: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -73.703637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.703637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.703637 (E_RNA)
where:
Base-Base interactions energy: -27.003
where: short stacking energy: -18.991
Base-Backbone interact. energy: -0.656
local terms energy: -46.044057
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -203.826637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.826637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.826637 (E_RNA)
where:
Base-Base interactions energy: -130.149
where: short stacking energy: -58.678
Base-Backbone interact. energy: 0.415
local terms energy: -74.092382
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -16.639
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: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -203.972617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.972617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.972617 (E_RNA)
where:
Base-Base interactions energy: -133.530
where: short stacking energy: -57.669
Base-Backbone interact. energy: -0.054
local terms energy: -70.388315
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -8.929
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: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -197.087106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.087106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.087106 (E_RNA)
where:
Base-Base interactions energy: -127.020
where: short stacking energy: -57.797
Base-Backbone interact. energy: -0.131
local terms energy: -69.935480
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -15.736
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: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -184.797720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.797720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.797720 (E_RNA)
where:
Base-Base interactions energy: -118.269
where: short stacking energy: -53.342
Base-Backbone interact. energy: -0.084
local terms energy: -66.444827
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -167.381869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.381869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.381869 (E_RNA)
where:
Base-Base interactions energy: -104.642
where: short stacking energy: -47.375
Base-Backbone interact. energy: -0.045
local terms energy: -62.694799
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -145.951731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.951731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.951731 (E_RNA)
where:
Base-Base interactions energy: -83.737
where: short stacking energy: -47.253
Base-Backbone interact. energy: -0.026
local terms energy: -62.188673
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -110.878497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.878497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.878497 (E_RNA)
where:
Base-Base interactions energy: -52.011
where: short stacking energy: -24.303
Base-Backbone interact. energy: -0.263
local terms energy: -58.604689
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -88.304537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.304537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.304537 (E_RNA)
where:
Base-Base interactions energy: -43.543
where: short stacking energy: -23.912
Base-Backbone interact. energy: -0.073
local terms energy: -44.689028
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -85.629648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.629648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.629648 (E_RNA)
where:
Base-Base interactions energy: -29.593
where: short stacking energy: -26.953
Base-Backbone interact. energy: -0.620
local terms energy: -55.416992
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -73.484420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.484420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.484420 (E_RNA)
where:
Base-Base interactions energy: -28.133
where: short stacking energy: -27.119
Base-Backbone interact. energy: -0.187
local terms energy: -45.165148
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: 1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -205.775664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.775664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.775664 (E_RNA)
where:
Base-Base interactions energy: -139.207
where: short stacking energy: -52.824
Base-Backbone interact. energy: -1.448
local terms energy: -65.120880
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -11.206
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: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -198.789032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.789032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.789032 (E_RNA)
where:
Base-Base interactions energy: -126.850
where: short stacking energy: -63.976
Base-Backbone interact. energy: -0.100
local terms energy: -71.838989
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -17.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -179.380470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.380470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.380470 (E_RNA)
where:
Base-Base interactions energy: -114.531
where: short stacking energy: -66.599
Base-Backbone interact. energy: -0.001
local terms energy: -64.848129
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -9.397
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -193.963822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.963822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.963822 (E_RNA)
where:
Base-Base interactions energy: -128.872
where: short stacking energy: -59.373
Base-Backbone interact. energy: -0.004
local terms energy: -65.087900
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -192.116005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.116005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.116005 (E_RNA)
where:
Base-Base interactions energy: -130.397
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.240
local terms energy: -61.478494
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -12.957
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: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -162.102862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.102862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.102862 (E_RNA)
where:
Base-Base interactions energy: -102.012
where: short stacking energy: -63.636
Base-Backbone interact. energy: -0.003
local terms energy: -60.087991
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -14.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -93.990391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.990391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.990391 (E_RNA)
where:
Base-Base interactions energy: -44.342
where: short stacking energy: -41.454
Base-Backbone interact. energy: -0.691
local terms energy: -48.956925
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -3.879
tors. eta vs tors. theta energy: -8.983
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: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -80.480578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.480578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.480578 (E_RNA)
where:
Base-Base interactions energy: -34.578
where: short stacking energy: -21.358
Base-Backbone interact. energy: 1.254
local terms energy: -47.156886
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: 0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -87.506384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.506384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.506384 (E_RNA)
where:
Base-Base interactions energy: -33.460
where: short stacking energy: -26.267
Base-Backbone interact. energy: -0.374
local terms energy: -53.672193
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -73.384057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.384057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.384057 (E_RNA)
where:
Base-Base interactions energy: -23.527
where: short stacking energy: -14.652
Base-Backbone interact. energy: -0.218
local terms energy: -49.639404
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -216.582330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.582330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.582330 (E_RNA)
where:
Base-Base interactions energy: -147.962
where: short stacking energy: -56.468
Base-Backbone interact. energy: -0.086
local terms energy: -68.534839
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -191.082100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.082100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.082100 (E_RNA)
where:
Base-Base interactions energy: -120.219
where: short stacking energy: -58.107
Base-Backbone interact. energy: -0.363
local terms energy: -70.500055
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -14.468
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: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -181.361422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.361422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.361422 (E_RNA)
where:
Base-Base interactions energy: -117.089
where: short stacking energy: -60.972
Base-Backbone interact. energy: -0.685
local terms energy: -63.587595
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -14.495
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: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -186.507406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.507406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.507406 (E_RNA)
where:
Base-Base interactions energy: -121.749
where: short stacking energy: -51.666
Base-Backbone interact. energy: -0.492
local terms energy: -64.266334
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -166.012327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.012327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.012327 (E_RNA)
where:
Base-Base interactions energy: -99.316
where: short stacking energy: -54.966
Base-Backbone interact. energy: -0.079
local terms energy: -66.616948
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -158.334472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.334472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.334472 (E_RNA)
where:
Base-Base interactions energy: -105.806
where: short stacking energy: -44.076
Base-Backbone interact. energy: -0.959
local terms energy: -51.568946
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -8.189
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: 323
Temperature: 1.200000
Total energy: -123.038763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.038763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.038763 (E_RNA)
where:
Base-Base interactions energy: -74.088
where: short stacking energy: -33.980
Base-Backbone interact. energy: -0.711
local terms energy: -48.239392
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -85.493631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.493631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.493631 (E_RNA)
where:
Base-Base interactions energy: -39.039
where: short stacking energy: -26.034
Base-Backbone interact. energy: 0.665
local terms energy: -47.119351
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -71.402883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.402883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.402883 (E_RNA)
where:
Base-Base interactions energy: -29.808
where: short stacking energy: -29.808
Base-Backbone interact. energy: 1.051
local terms energy: -42.645866
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -9.264
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -83.048796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.048796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.048796 (E_RNA)
where:
Base-Base interactions energy: -28.816
where: short stacking energy: -28.354
Base-Backbone interact. energy: -0.193
local terms energy: -54.040282
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -2.259
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: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -196.997714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.997714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.997714 (E_RNA)
where:
Base-Base interactions energy: -124.866
where: short stacking energy: -61.145
Base-Backbone interact. energy: -0.125
local terms energy: -72.006507
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -208.178185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.178185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.178185 (E_RNA)
where:
Base-Base interactions energy: -150.836
where: short stacking energy: -53.324
Base-Backbone interact. energy: -0.116
local terms energy: -57.226104
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -159.155857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.155857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.155857 (E_RNA)
where:
Base-Base interactions energy: -97.966
where: short stacking energy: -48.927
Base-Backbone interact. energy: -1.257
local terms energy: -59.933431
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -5.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -190.339345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.339345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.339345 (E_RNA)
where:
Base-Base interactions energy: -123.316
where: short stacking energy: -47.598
Base-Backbone interact. energy: -0.008
local terms energy: -67.014693
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -165.263164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.263164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.263164 (E_RNA)
where:
Base-Base interactions energy: -96.177
where: short stacking energy: -50.669
Base-Backbone interact. energy: -0.084
local terms energy: -69.001245
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -162.384042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.384042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.384042 (E_RNA)
where:
Base-Base interactions energy: -103.020
where: short stacking energy: -40.075
Base-Backbone interact. energy: -0.040
local terms energy: -59.323988
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -4.575
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: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -86.088384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.088384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.088384 (E_RNA)
where:
Base-Base interactions energy: -36.431
where: short stacking energy: -32.590
Base-Backbone interact. energy: -0.276
local terms energy: -49.381777
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -84.797808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.797808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.797808 (E_RNA)
where:
Base-Base interactions energy: -32.725
where: short stacking energy: -32.725
Base-Backbone interact. energy: -0.101
local terms energy: -51.971979
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -85.707115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.707115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.707115 (E_RNA)
where:
Base-Base interactions energy: -31.193
where: short stacking energy: -27.735
Base-Backbone interact. energy: -0.451
local terms energy: -54.063051
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -80.328827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.328827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.328827 (E_RNA)
where:
Base-Base interactions energy: -38.037
where: short stacking energy: -24.692
Base-Backbone interact. energy: -0.133
local terms energy: -42.158533
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -5.641
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: 325
Temperature: 0.900000
Total energy: -198.476701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.476701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.476701 (E_RNA)
where:
Base-Base interactions energy: -126.237
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.031
local terms energy: -72.208995
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -210.388909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.388909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.388909 (E_RNA)
where:
Base-Base interactions energy: -149.166
where: short stacking energy: -50.945
Base-Backbone interact. energy: -0.030
local terms energy: -61.193078
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -10.046
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: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -171.272521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.272521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.272521 (E_RNA)
where:
Base-Base interactions energy: -100.796
where: short stacking energy: -62.017
Base-Backbone interact. energy: -0.006
local terms energy: -70.470340
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -168.419845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.419845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.419845 (E_RNA)
where:
Base-Base interactions energy: -100.234
where: short stacking energy: -44.420
Base-Backbone interact. energy: -0.655
local terms energy: -67.530836
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -172.962944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.962944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.962944 (E_RNA)
where:
Base-Base interactions energy: -112.499
where: short stacking energy: -46.145
Base-Backbone interact. energy: -0.520
local terms energy: -59.944776
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -8.210
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: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -116.825145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.825145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.825145 (E_RNA)
where:
Base-Base interactions energy: -55.876
where: short stacking energy: -50.249
Base-Backbone interact. energy: -0.038
local terms energy: -60.911878
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -140.362825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.362825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.362825 (E_RNA)
where:
Base-Base interactions energy: -80.324
where: short stacking energy: -41.699
Base-Backbone interact. energy: -0.424
local terms energy: -59.614565
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -83.055450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.055450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.055450 (E_RNA)
where:
Base-Base interactions energy: -29.324
where: short stacking energy: -21.821
Base-Backbone interact. energy: -0.218
local terms energy: -53.513601
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.234
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: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -79.141961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.141961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.141961 (E_RNA)
where:
Base-Base interactions energy: -26.122
where: short stacking energy: -26.122
Base-Backbone interact. energy: -0.136
local terms energy: -52.883305
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -80.508839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.508839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.508839 (E_RNA)
where:
Base-Base interactions energy: -31.164
where: short stacking energy: -19.716
Base-Backbone interact. energy: -0.582
local terms energy: -48.763369
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -213.095691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.095691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.095691 (E_RNA)
where:
Base-Base interactions energy: -147.285
where: short stacking energy: -51.020
Base-Backbone interact. energy: 0.292
local terms energy: -66.102464
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -11.090
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: 326
Temperature: 0.950000
Total energy: -181.426086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.426086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.426086 (E_RNA)
where:
Base-Base interactions energy: -121.761
where: short stacking energy: -37.014
Base-Backbone interact. energy: 0.306
local terms energy: -59.971193
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -14.126
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: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -202.645211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645211 (E_RNA)
where:
Base-Base interactions energy: -136.259
where: short stacking energy: -60.471
Base-Backbone interact. energy: -0.058
local terms energy: -66.328078
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -197.138996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.138996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.138996 (E_RNA)
where:
Base-Base interactions energy: -133.705
where: short stacking energy: -55.845
Base-Backbone interact. energy: -0.384
local terms energy: -63.049827
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -106.580312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.580312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.580312 (E_RNA)
where:
Base-Base interactions energy: -46.374
where: short stacking energy: -36.723
Base-Backbone interact. energy: -0.878
local terms energy: -59.328035
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -164.675893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.675893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.675893 (E_RNA)
where:
Base-Base interactions energy: -113.481
where: short stacking energy: -43.792
Base-Backbone interact. energy: 1.407
local terms energy: -52.601686
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -154.849995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.849995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.849995 (E_RNA)
where:
Base-Base interactions energy: -94.877
where: short stacking energy: -51.694
Base-Backbone interact. energy: -0.146
local terms energy: -59.827140
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -89.143037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.143037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.143037 (E_RNA)
where:
Base-Base interactions energy: -39.295
where: short stacking energy: -25.452
Base-Backbone interact. energy: -0.634
local terms energy: -49.213996
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -86.444842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.444842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.444842 (E_RNA)
where:
Base-Base interactions energy: -33.768
where: short stacking energy: -33.768
Base-Backbone interact. energy: -0.314
local terms energy: -52.362027
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -86.437872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.437872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.437872 (E_RNA)
where:
Base-Base interactions energy: -38.733
where: short stacking energy: -24.193
Base-Backbone interact. energy: -0.561
local terms energy: -47.143410
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -7.730
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: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -205.331396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.331396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.331396 (E_RNA)
where:
Base-Base interactions energy: -138.125
where: short stacking energy: -54.509
Base-Backbone interact. energy: -0.081
local terms energy: -67.125202
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -12.035
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: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -200.673527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.673527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.673527 (E_RNA)
where:
Base-Base interactions energy: -134.382
where: short stacking energy: -61.022
Base-Backbone interact. energy: -0.099
local terms energy: -66.191888
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -197.132485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.132485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.132485 (E_RNA)
where:
Base-Base interactions energy: -145.761
where: short stacking energy: -46.466
Base-Backbone interact. energy: -0.354
local terms energy: -51.016836
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -7.016
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: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -179.924138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.924138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.924138 (E_RNA)
where:
Base-Base interactions energy: -117.257
where: short stacking energy: -60.201
Base-Backbone interact. energy: -0.107
local terms energy: -62.559713
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -15.499
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: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -118.186265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.186265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.186265 (E_RNA)
where:
Base-Base interactions energy: -59.634
where: short stacking energy: -40.716
Base-Backbone interact. energy: -0.627
local terms energy: -57.925252
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -160.800725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.800725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.800725 (E_RNA)
where:
Base-Base interactions energy: -96.608
where: short stacking energy: -50.427
Base-Backbone interact. energy: 1.206
local terms energy: -65.398268
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -9.234
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: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -159.281598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.281598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.281598 (E_RNA)
where:
Base-Base interactions energy: -102.976
where: short stacking energy: -47.882
Base-Backbone interact. energy: -0.125
local terms energy: -56.180176
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -8.520
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: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -83.767623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.767623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.767623 (E_RNA)
where:
Base-Base interactions energy: -35.233
where: short stacking energy: -32.253
Base-Backbone interact. energy: -0.048
local terms energy: -48.487263
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -80.875398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.875398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.875398 (E_RNA)
where:
Base-Base interactions energy: -34.588
where: short stacking energy: -33.359
Base-Backbone interact. energy: -0.194
local terms energy: -46.093609
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -73.825131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.825131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.825131 (E_RNA)
where:
Base-Base interactions energy: -24.386
where: short stacking energy: -24.386
Base-Backbone interact. energy: -0.045
local terms energy: -49.394268
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: 1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -211.562875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.562875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.562875 (E_RNA)
where:
Base-Base interactions energy: -147.126
where: short stacking energy: -53.134
Base-Backbone interact. energy: -0.185
local terms energy: -64.252285
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -204.967218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.967218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.967218 (E_RNA)
where:
Base-Base interactions energy: -135.436
where: short stacking energy: -63.119
Base-Backbone interact. energy: 0.919
local terms energy: -70.449930
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -189.596141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.596141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.596141 (E_RNA)
where:
Base-Base interactions energy: -130.148
where: short stacking energy: -49.698
Base-Backbone interact. energy: -0.333
local terms energy: -59.115033
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -11.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -177.376390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.376390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.376390 (E_RNA)
where:
Base-Base interactions energy: -114.690
where: short stacking energy: -53.519
Base-Backbone interact. energy: 1.719
local terms energy: -64.405533
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -166.380622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.380622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.380622 (E_RNA)
where:
Base-Base interactions energy: -110.400
where: short stacking energy: -49.979
Base-Backbone interact. energy: -0.655
local terms energy: -55.325694
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -98.757639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.757639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.757639 (E_RNA)
where:
Base-Base interactions energy: -43.025
where: short stacking energy: -43.025
Base-Backbone interact. energy: -0.099
local terms energy: -55.633444
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -5.913
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: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -150.737473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.737473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.737473 (E_RNA)
where:
Base-Base interactions energy: -95.412
where: short stacking energy: -47.283
Base-Backbone interact. energy: 0.118
local terms energy: -55.443246
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -84.018922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.018922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.018922 (E_RNA)
where:
Base-Base interactions energy: -37.514
where: short stacking energy: -20.777
Base-Backbone interact. energy: 0.605
local terms energy: -47.109393
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -4.857
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: 9, replica: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -80.052448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.052448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.052448 (E_RNA)
where:
Base-Base interactions energy: -31.308
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.134
local terms energy: -48.610947
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -6.433
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -69.419988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.419988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.419988 (E_RNA)
where:
Base-Base interactions energy: -23.497
where: short stacking energy: -19.981
Base-Backbone interact. energy: 0.585
local terms energy: -46.508844
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -7.924
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: 1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -205.055312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.055312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.055312 (E_RNA)
where:
Base-Base interactions energy: -137.927
where: short stacking energy: -51.156
Base-Backbone interact. energy: -0.127
local terms energy: -67.001164
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -196.969158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.969158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.969158 (E_RNA)
where:
Base-Base interactions energy: -128.326
where: short stacking energy: -57.975
Base-Backbone interact. energy: -0.475
local terms energy: -68.168194
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -20.040
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: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -192.099216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.099216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.099216 (E_RNA)
where:
Base-Base interactions energy: -132.743
where: short stacking energy: -57.811
Base-Backbone interact. energy: -0.713
local terms energy: -58.642508
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -172.292491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.292491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.292491 (E_RNA)
where:
Base-Base interactions energy: -104.796
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.829
local terms energy: -66.668094
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -165.110099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.110099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.110099 (E_RNA)
where:
Base-Base interactions energy: -104.028
where: short stacking energy: -54.280
Base-Backbone interact. energy: -0.506
local terms energy: -60.575638
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -155.456030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.456030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.456030 (E_RNA)
where:
Base-Base interactions energy: -95.014
where: short stacking energy: -37.389
Base-Backbone interact. energy: -0.180
local terms energy: -60.262073
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -7.419
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: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -87.203203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.203203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.203203 (E_RNA)
where:
Base-Base interactions energy: -32.279
where: short stacking energy: -31.792
Base-Backbone interact. energy: -1.951
local terms energy: -52.972607
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -87.018816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.018816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.018816 (E_RNA)
where:
Base-Base interactions energy: -33.087
where: short stacking energy: -25.216
Base-Backbone interact. energy: -0.326
local terms energy: -53.605456
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: 1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -103.097644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.097644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.097644 (E_RNA)
where:
Base-Base interactions energy: -51.174
where: short stacking energy: -37.352
Base-Backbone interact. energy: -0.262
local terms energy: -51.661430
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -80.505627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.505627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.505627 (E_RNA)
where:
Base-Base interactions energy: -29.249
where: short stacking energy: -28.961
Base-Backbone interact. energy: -0.105
local terms energy: -51.151244
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -198.707181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.707181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.707181 (E_RNA)
where:
Base-Base interactions energy: -123.779
where: short stacking energy: -59.912
Base-Backbone interact. energy: -0.096
local terms energy: -74.831510
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -195.922802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.922802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.922802 (E_RNA)
where:
Base-Base interactions energy: -125.468
where: short stacking energy: -60.313
Base-Backbone interact. energy: -0.004
local terms energy: -70.450235
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -11.570
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: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -187.575304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.575304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.575304 (E_RNA)
where:
Base-Base interactions energy: -121.888
where: short stacking energy: -55.620
Base-Backbone interact. energy: -0.182
local terms energy: -65.505823
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -7.162
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: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -188.190577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.190577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.190577 (E_RNA)
where:
Base-Base interactions energy: -110.493
where: short stacking energy: -57.364
Base-Backbone interact. energy: -0.164
local terms energy: -77.533412
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -13.172
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: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -152.192862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.192862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.192862 (E_RNA)
where:
Base-Base interactions energy: -98.813
where: short stacking energy: -38.010
Base-Backbone interact. energy: -0.553
local terms energy: -52.826407
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -3.157
tors. eta vs tors. theta energy: -9.240
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: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -146.869693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.869693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.869693 (E_RNA)
where:
Base-Base interactions energy: -88.740
where: short stacking energy: -47.063
Base-Backbone interact. energy: -0.126
local terms energy: -58.003295
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -86.286498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.286498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.286498 (E_RNA)
where:
Base-Base interactions energy: -28.374
where: short stacking energy: -28.374
Base-Backbone interact. energy: -0.197
local terms energy: -57.715438
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -86.007404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.007404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.007404 (E_RNA)
where:
Base-Base interactions energy: -37.294
where: short stacking energy: -26.106
Base-Backbone interact. energy: 0.387
local terms energy: -49.100855
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -78.812590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.812590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.812590 (E_RNA)
where:
Base-Base interactions energy: -30.559
where: short stacking energy: -27.181
Base-Backbone interact. energy: -0.172
local terms energy: -48.081286
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -71.031325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.031325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.031325 (E_RNA)
where:
Base-Base interactions energy: -23.521
where: short stacking energy: -21.577
Base-Backbone interact. energy: 0.341
local terms energy: -47.851724
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -204.192011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.192011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.192011 (E_RNA)
where:
Base-Base interactions energy: -130.356
where: short stacking energy: -59.080
Base-Backbone interact. energy: -0.009
local terms energy: -73.827080
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -11.566
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: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -184.603464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.603464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.603464 (E_RNA)
where:
Base-Base interactions energy: -116.104
where: short stacking energy: -51.271
Base-Backbone interact. energy: -0.809
local terms energy: -67.690193
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -13.493
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: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -180.741023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.741023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.741023 (E_RNA)
where:
Base-Base interactions energy: -115.534
where: short stacking energy: -47.501
Base-Backbone interact. energy: -0.114
local terms energy: -65.093324
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -180.608446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.608446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.608446 (E_RNA)
where:
Base-Base interactions energy: -119.049
where: short stacking energy: -56.725
Base-Backbone interact. energy: -0.004
local terms energy: -61.555040
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -5.162
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: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -182.251491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.251491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.251491 (E_RNA)
where:
Base-Base interactions energy: -112.252
where: short stacking energy: -56.526
Base-Backbone interact. energy: -0.658
local terms energy: -69.340859
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -149.367911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.367911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.367911 (E_RNA)
where:
Base-Base interactions energy: -87.505
where: short stacking energy: -42.411
Base-Backbone interact. energy: -0.055
local terms energy: -61.807813
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -7.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -91.987541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.987541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.987541 (E_RNA)
where:
Base-Base interactions energy: -34.624
where: short stacking energy: -31.694
Base-Backbone interact. energy: -0.051
local terms energy: -57.312829
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -84.856976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.856976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.856976 (E_RNA)
where:
Base-Base interactions energy: -34.311
where: short stacking energy: -34.311
Base-Backbone interact. energy: -0.111
local terms energy: -50.435140
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -78.914710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.914710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.914710 (E_RNA)
where:
Base-Base interactions energy: -30.383
where: short stacking energy: -29.972
Base-Backbone interact. energy: -0.051
local terms energy: -48.481418
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -72.002963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.002963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.002963 (E_RNA)
where:
Base-Base interactions energy: -33.903
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.251
local terms energy: -37.848423
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -2.457
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -195.833690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.833690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.833690 (E_RNA)
where:
Base-Base interactions energy: -126.996
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.081
local terms energy: -68.756590
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -188.555067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.555067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.555067 (E_RNA)
where:
Base-Base interactions energy: -124.592
where: short stacking energy: -62.098
Base-Backbone interact. energy: -0.138
local terms energy: -63.825595
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -196.769026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.769026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.769026 (E_RNA)
where:
Base-Base interactions energy: -134.747
where: short stacking energy: -42.645
Base-Backbone interact. energy: -0.511
local terms energy: -61.510976
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -11.183
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: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -172.150939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.150939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.150939 (E_RNA)
where:
Base-Base interactions energy: -106.834
where: short stacking energy: -49.902
Base-Backbone interact. energy: -0.017
local terms energy: -65.299487
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -11.712
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: 5, replica: 9
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -164.491146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.491146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.491146 (E_RNA)
where:
Base-Base interactions energy: -106.891
where: short stacking energy: -46.835
Base-Backbone interact. energy: -0.425
local terms energy: -57.174794
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -11.853
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: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -162.765253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.765253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.765253 (E_RNA)
where:
Base-Base interactions energy: -101.459
where: short stacking energy: -56.599
Base-Backbone interact. energy: -0.096
local terms energy: -61.209816
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -128.204812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.204812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.204812 (E_RNA)
where:
Base-Base interactions energy: -77.846
where: short stacking energy: -39.356
Base-Backbone interact. energy: 0.503
local terms energy: -50.861650
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -89.235875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.235875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.235875 (E_RNA)
where:
Base-Base interactions energy: -42.815
where: short stacking energy: -42.741
Base-Backbone interact. energy: -0.003
local terms energy: -46.418237
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -78.617671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.617671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.617671 (E_RNA)
where:
Base-Base interactions energy: -28.168
where: short stacking energy: -27.932
Base-Backbone interact. energy: -0.387
local terms energy: -50.062757
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -6.394
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: 1.209
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: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -84.018114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.018114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.018114 (E_RNA)
where:
Base-Base interactions energy: -38.593
where: short stacking energy: -38.593
Base-Backbone interact. energy: -0.138
local terms energy: -45.286251
where:
bonds (distance) C4'-P energy: -6.907
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -206.739420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.739420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.739420 (E_RNA)
where:
Base-Base interactions energy: -133.917
where: short stacking energy: -66.662
Base-Backbone interact. energy: -0.009
local terms energy: -72.813760
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -204.326612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.326612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.326612 (E_RNA)
where:
Base-Base interactions energy: -139.302
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.108
local terms energy: -64.917443
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -8.524
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: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -197.635673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.635673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.635673 (E_RNA)
where:
Base-Base interactions energy: -124.088
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.029
local terms energy: -73.518816
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -10.309
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: 4, replica: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -170.334200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.334200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.334200 (E_RNA)
where:
Base-Base interactions energy: -104.854
where: short stacking energy: -58.402
Base-Backbone interact. energy: -0.014
local terms energy: -65.466635
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -168.767215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.767215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.767215 (E_RNA)
where:
Base-Base interactions energy: -100.367
where: short stacking energy: -47.207
Base-Backbone interact. energy: -0.048
local terms energy: -68.352416
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -162.954630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.954630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.954630 (E_RNA)
where:
Base-Base interactions energy: -98.751
where: short stacking energy: -53.366
Base-Backbone interact. energy: -0.180
local terms energy: -64.023070
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -11.198
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -129.268787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.268787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.268787 (E_RNA)
where:
Base-Base interactions energy: -75.358
where: short stacking energy: -36.595
Base-Backbone interact. energy: -0.959
local terms energy: -52.951512
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -96.139183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.139183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.139183 (E_RNA)
where:
Base-Base interactions energy: -44.715
where: short stacking energy: -40.276
Base-Backbone interact. energy: -0.155
local terms energy: -51.268238
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -81.727943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.727943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.727943 (E_RNA)
where:
Base-Base interactions energy: -26.586
where: short stacking energy: -20.646
Base-Backbone interact. energy: 1.518
local terms energy: -56.659538
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -78.038243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.038243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.038243 (E_RNA)
where:
Base-Base interactions energy: -33.193
where: short stacking energy: -27.613
Base-Backbone interact. energy: 6.700
local terms energy: -51.545051
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -2.356
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: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -206.331573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.331573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.331573 (E_RNA)
where:
Base-Base interactions energy: -136.737
where: short stacking energy: -54.010
Base-Backbone interact. energy: -1.201
local terms energy: -68.393247
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -207.382126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.382126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.382126 (E_RNA)
where:
Base-Base interactions energy: -144.005
where: short stacking energy: -66.185
Base-Backbone interact. energy: -0.134
local terms energy: -63.243475
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -3.861
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: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -185.221288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.221288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.221288 (E_RNA)
where:
Base-Base interactions energy: -119.729
where: short stacking energy: -43.966
Base-Backbone interact. energy: -0.332
local terms energy: -65.159808
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -165.762864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.762864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.762864 (E_RNA)
where:
Base-Base interactions energy: -107.845
where: short stacking energy: -44.583
Base-Backbone interact. energy: -0.098
local terms energy: -57.819815
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -162.155110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.155110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.155110 (E_RNA)
where:
Base-Base interactions energy: -102.898
where: short stacking energy: -50.403
Base-Backbone interact. energy: -0.118
local terms energy: -59.139496
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -8.476
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: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -144.571314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.571314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.571314 (E_RNA)
where:
Base-Base interactions energy: -89.046
where: short stacking energy: -49.019
Base-Backbone interact. energy: -0.371
local terms energy: -55.155124
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -7.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -125.717461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.717461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.717461 (E_RNA)
where:
Base-Base interactions energy: -73.922
where: short stacking energy: -41.775
Base-Backbone interact. energy: -0.156
local terms energy: -51.639496
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -82.860513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.860513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.860513 (E_RNA)
where:
Base-Base interactions energy: -28.586
where: short stacking energy: -28.503
Base-Backbone interact. energy: 0.594
local terms energy: -54.869076
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -7.773
flat angles P-C4'-P energy: -9.616
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: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -74.932919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.932919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.932919 (E_RNA)
where:
Base-Base interactions energy: -23.153
where: short stacking energy: -22.412
Base-Backbone interact. energy: -0.278
local terms energy: -51.501690
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -5.522
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -73.375646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.375646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.375646 (E_RNA)
where:
Base-Base interactions energy: -29.470
where: short stacking energy: -24.026
Base-Backbone interact. energy: 0.259
local terms energy: -44.164525
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -210.216126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.216126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.216126 (E_RNA)
where:
Base-Base interactions energy: -161.698
where: short stacking energy: -55.370
Base-Backbone interact. energy: -0.345
local terms energy: -48.173566
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -6.817
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: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -186.412931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.412931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.412931 (E_RNA)
where:
Base-Base interactions energy: -120.660
where: short stacking energy: -57.217
Base-Backbone interact. energy: -1.486
local terms energy: -64.267171
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -193.637802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.637802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.637802 (E_RNA)
where:
Base-Base interactions energy: -124.934
where: short stacking energy: -53.114
Base-Backbone interact. energy: -0.165
local terms energy: -68.539600
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -15.615
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: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -170.741156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.741156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.741156 (E_RNA)
where:
Base-Base interactions energy: -106.725
where: short stacking energy: -56.004
Base-Backbone interact. energy: -0.669
local terms energy: -63.346820
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -179.780597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.780597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.780597 (E_RNA)
where:
Base-Base interactions energy: -106.592
where: short stacking energy: -58.936
Base-Backbone interact. energy: -0.115
local terms energy: -73.073169
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -154.642977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.642977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.642977 (E_RNA)
where:
Base-Base interactions energy: -96.733
where: short stacking energy: -51.123
Base-Backbone interact. energy: -0.217
local terms energy: -57.692275
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -140.213336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.213336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.213336 (E_RNA)
where:
Base-Base interactions energy: -90.756
where: short stacking energy: -42.074
Base-Backbone interact. energy: -0.140
local terms energy: -49.317673
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -6.896
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: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -105.812048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.812048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.812048 (E_RNA)
where:
Base-Base interactions energy: -55.618
where: short stacking energy: -24.990
Base-Backbone interact. energy: 0.679
local terms energy: -50.873143
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -4.615
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: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -84.753188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.753188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.753188 (E_RNA)
where:
Base-Base interactions energy: -30.338
where: short stacking energy: -30.338
Base-Backbone interact. energy: -0.186
local terms energy: -54.228838
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -3.884
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: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -74.311927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.311927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.311927 (E_RNA)
where:
Base-Base interactions energy: -30.471
where: short stacking energy: -29.352
Base-Backbone interact. energy: 0.051
local terms energy: -43.891795
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -209.169659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.169659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.169659 (E_RNA)
where:
Base-Base interactions energy: -147.857
where: short stacking energy: -52.389
Base-Backbone interact. energy: -0.469
local terms energy: -60.843630
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -200.504264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.504264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.504264 (E_RNA)
where:
Base-Base interactions energy: -128.123
where: short stacking energy: -54.462
Base-Backbone interact. energy: -0.402
local terms energy: -71.979627
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -170.191801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.191801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.191801 (E_RNA)
where:
Base-Base interactions energy: -103.837
where: short stacking energy: -45.655
Base-Backbone interact. energy: -0.190
local terms energy: -66.164813
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -9.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -187.437951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.437951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.437951 (E_RNA)
where:
Base-Base interactions energy: -111.954
where: short stacking energy: -59.704
Base-Backbone interact. energy: 0.521
local terms energy: -76.004641
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -172.263773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.263773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.263773 (E_RNA)
where:
Base-Base interactions energy: -117.227
where: short stacking energy: -53.214
Base-Backbone interact. energy: 1.576
local terms energy: -56.613039
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -11.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -107.232302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.232302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.232302 (E_RNA)
where:
Base-Base interactions energy: -46.352
where: short stacking energy: -41.667
Base-Backbone interact. energy: -0.145
local terms energy: -60.734488
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -139.153697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.153697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.153697 (E_RNA)
where:
Base-Base interactions energy: -85.412
where: short stacking energy: -38.339
Base-Backbone interact. energy: 0.381
local terms energy: -54.122940
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -89.503928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.503928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.503928 (E_RNA)
where:
Base-Base interactions energy: -32.074
where: short stacking energy: -21.935
Base-Backbone interact. energy: -1.651
local terms energy: -55.778829
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -86.920523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.920523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.920523 (E_RNA)
where:
Base-Base interactions energy: -34.150
where: short stacking energy: -30.118
Base-Backbone interact. energy: -0.231
local terms energy: -52.539125
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -74.432099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.432099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.432099 (E_RNA)
where:
Base-Base interactions energy: -29.539
where: short stacking energy: -22.350
Base-Backbone interact. energy: -0.087
local terms energy: -44.806105
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -2.427
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -224.663003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.663003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.663003 (E_RNA)
where:
Base-Base interactions energy: -152.838
where: short stacking energy: -61.965
Base-Backbone interact. energy: -0.669
local terms energy: -71.155904
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -200.095381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.095381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.095381 (E_RNA)
where:
Base-Base interactions energy: -133.136
where: short stacking energy: -49.761
Base-Backbone interact. energy: -0.069
local terms energy: -66.890960
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -154.748351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.748351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.748351 (E_RNA)
where:
Base-Base interactions energy: -91.257
where: short stacking energy: -39.803
Base-Backbone interact. energy: -0.023
local terms energy: -63.467763
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -175.148968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.148968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.148968 (E_RNA)
where:
Base-Base interactions energy: -119.750
where: short stacking energy: -47.793
Base-Backbone interact. energy: 2.112
local terms energy: -57.511284
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -189.592528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.592528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.592528 (E_RNA)
where:
Base-Base interactions energy: -126.796
where: short stacking energy: -55.366
Base-Backbone interact. energy: -0.045
local terms energy: -62.751089
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -11.411
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: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -148.278486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.278486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.278486 (E_RNA)
where:
Base-Base interactions energy: -83.637
where: short stacking energy: -42.613
Base-Backbone interact. energy: -0.293
local terms energy: -64.347771
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -93.475867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.475867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.475867 (E_RNA)
where:
Base-Base interactions energy: -39.588
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.154
local terms energy: -53.733428
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -91.678647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.678647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.678647 (E_RNA)
where:
Base-Base interactions energy: -43.985
where: short stacking energy: -25.214
Base-Backbone interact. energy: -0.109
local terms energy: -47.584708
where:
bonds (distance) C4'-P energy: -7.986
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -87.264114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.264114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.264114 (E_RNA)
where:
Base-Base interactions energy: -31.320
where: short stacking energy: -26.621
Base-Backbone interact. energy: -0.127
local terms energy: -55.816579
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -79.786298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.786298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.786298 (E_RNA)
where:
Base-Base interactions energy: -22.903
where: short stacking energy: -18.392
Base-Backbone interact. energy: -0.077
local terms energy: -56.805663
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -7.008
flat angles P-C4'-P energy: -14.694
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: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -218.456912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.456912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.456912 (E_RNA)
where:
Base-Base interactions energy: -145.472
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.507
local terms energy: -72.477270
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -193.342545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.342545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.342545 (E_RNA)
where:
Base-Base interactions energy: -126.190
where: short stacking energy: -63.261
Base-Backbone interact. energy: -0.016
local terms energy: -67.136696
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -8.437
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: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -180.889366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.889366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.889366 (E_RNA)
where:
Base-Base interactions energy: -112.744
where: short stacking energy: -49.794
Base-Backbone interact. energy: -0.046
local terms energy: -68.099215
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -12.618
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: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -189.587664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.587664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.587664 (E_RNA)
where:
Base-Base interactions energy: -122.272
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.041
local terms energy: -67.273906
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -173.965248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.965248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.965248 (E_RNA)
where:
Base-Base interactions energy: -111.660
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.135
local terms energy: -62.170939
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -11.826
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: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -160.415782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.415782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.415782 (E_RNA)
where:
Base-Base interactions energy: -108.134
where: short stacking energy: -51.665
Base-Backbone interact. energy: -0.013
local terms energy: -52.269075
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -9.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -89.672264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.672264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.672264 (E_RNA)
where:
Base-Base interactions energy: -48.224
where: short stacking energy: -29.978
Base-Backbone interact. energy: -0.164
local terms energy: -41.284309
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -7.756
flat angles P-C4'-P energy: -7.704
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: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -90.815213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.815213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.815213 (E_RNA)
where:
Base-Base interactions energy: -40.367
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.244
local terms energy: -50.203416
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -85.273910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.273910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.273910 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -24.650
Base-Backbone interact. energy: -0.174
local terms energy: -53.744411
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -11.651
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: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -77.757972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.757972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.757972 (E_RNA)
where:
Base-Base interactions energy: -34.102
where: short stacking energy: -29.230
Base-Backbone interact. energy: -0.282
local terms energy: -43.373569
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -207.164764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.164764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.164764 (E_RNA)
where:
Base-Base interactions energy: -140.486
where: short stacking energy: -47.000
Base-Backbone interact. energy: -0.727
local terms energy: -65.952621
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -9.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -182.073327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.073327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.073327 (E_RNA)
where:
Base-Base interactions energy: -114.369
where: short stacking energy: -73.234
Base-Backbone interact. energy: 0.354
local terms energy: -68.058818
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -185.052636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.052636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.052636 (E_RNA)
where:
Base-Base interactions energy: -115.537
where: short stacking energy: -61.397
Base-Backbone interact. energy: -0.035
local terms energy: -69.480179
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -16.822
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: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -163.322939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.322939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.322939 (E_RNA)
where:
Base-Base interactions energy: -92.124
where: short stacking energy: -50.806
Base-Backbone interact. energy: -0.063
local terms energy: -71.136187
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -16.100
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: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -180.979822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.979822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.979822 (E_RNA)
where:
Base-Base interactions energy: -118.587
where: short stacking energy: -58.438
Base-Backbone interact. energy: 0.517
local terms energy: -62.910253
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -146.524894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.524894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.524894 (E_RNA)
where:
Base-Base interactions energy: -100.579
where: short stacking energy: -38.015
Base-Backbone interact. energy: -0.405
local terms energy: -45.541413
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: 0.812
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -82.736044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.736044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.736044 (E_RNA)
where:
Base-Base interactions energy: -31.179
where: short stacking energy: -28.629
Base-Backbone interact. energy: -0.050
local terms energy: -51.506277
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -10.784
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: 8, replica: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -85.904382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.904382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.904382 (E_RNA)
where:
Base-Base interactions energy: -34.462
where: short stacking energy: -28.204
Base-Backbone interact. energy: -0.139
local terms energy: -51.302963
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -81.923264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.923264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.923264 (E_RNA)
where:
Base-Base interactions energy: -39.281
where: short stacking energy: -30.409
Base-Backbone interact. energy: -0.142
local terms energy: -42.499967
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -4.776
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: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -81.607488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.607488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.607488 (E_RNA)
where:
Base-Base interactions energy: -32.852
where: short stacking energy: -16.120
Base-Backbone interact. energy: -0.144
local terms energy: -48.610564
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -11.475
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: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -205.433191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.433191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.433191 (E_RNA)
where:
Base-Base interactions energy: -135.380
where: short stacking energy: -53.922
Base-Backbone interact. energy: -0.201
local terms energy: -69.852196
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -184.814389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.814389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.814389 (E_RNA)
where:
Base-Base interactions energy: -115.355
where: short stacking energy: -64.438
Base-Backbone interact. energy: 1.316
local terms energy: -70.776242
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -190.629446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.629446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.629446 (E_RNA)
where:
Base-Base interactions energy: -124.220
where: short stacking energy: -54.130
Base-Backbone interact. energy: -0.646
local terms energy: -65.763652
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -152.717232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.717232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.717232 (E_RNA)
where:
Base-Base interactions energy: -102.466
where: short stacking energy: -46.757
Base-Backbone interact. energy: -0.280
local terms energy: -49.971790
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -152.886326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.886326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.886326 (E_RNA)
where:
Base-Base interactions energy: -90.000
where: short stacking energy: -40.259
Base-Backbone interact. energy: -0.047
local terms energy: -62.839391
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -161.421049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.421049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.421049 (E_RNA)
where:
Base-Base interactions energy: -107.414
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.146
local terms energy: -53.861220
where:
bonds (distance) C4'-P energy: -7.593
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -93.643252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.643252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.643252 (E_RNA)
where:
Base-Base interactions energy: -37.265
where: short stacking energy: -35.615
Base-Backbone interact. energy: -0.355
local terms energy: -56.023911
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -90.354254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.354254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.354254 (E_RNA)
where:
Base-Base interactions energy: -38.893
where: short stacking energy: -33.121
Base-Backbone interact. energy: -0.021
local terms energy: -51.440345
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -8.191
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: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -82.727421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.727421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.727421 (E_RNA)
where:
Base-Base interactions energy: -30.359
where: short stacking energy: -25.144
Base-Backbone interact. energy: -0.316
local terms energy: -52.052821
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -8.109
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: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -88.255138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.255138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.255138 (E_RNA)
where:
Base-Base interactions energy: -38.894
where: short stacking energy: -38.061
Base-Backbone interact. energy: -0.280
local terms energy: -49.080965
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -8.097
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -208.118872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.118872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.118872 (E_RNA)
where:
Base-Base interactions energy: -139.964
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.187
local terms energy: -67.967527
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -11.498
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: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -188.404143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.404143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.404143 (E_RNA)
where:
Base-Base interactions energy: -121.374
where: short stacking energy: -56.206
Base-Backbone interact. energy: -0.095
local terms energy: -66.935686
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -175.088812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.088812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.088812 (E_RNA)
where:
Base-Base interactions energy: -108.117
where: short stacking energy: -58.559
Base-Backbone interact. energy: -0.087
local terms energy: -66.885199
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -16.420
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: 341
Temperature: 1.050000
Total energy: -175.650531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.650531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.650531 (E_RNA)
where:
Base-Base interactions energy: -110.712
where: short stacking energy: -59.935
Base-Backbone interact. energy: 1.658
local terms energy: -66.596600
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -15.005
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: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -156.457482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.457482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.457482 (E_RNA)
where:
Base-Base interactions energy: -100.995
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.087
local terms energy: -55.375155
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -165.738566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.738566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.738566 (E_RNA)
where:
Base-Base interactions energy: -107.574
where: short stacking energy: -54.438
Base-Backbone interact. energy: -0.068
local terms energy: -58.096879
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -94.212654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.212654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.212654 (E_RNA)
where:
Base-Base interactions energy: -42.347
where: short stacking energy: -37.897
Base-Backbone interact. energy: -0.104
local terms energy: -51.761306
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -7.023
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: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -81.847769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.847769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.847769 (E_RNA)
where:
Base-Base interactions energy: -30.582
where: short stacking energy: -26.458
Base-Backbone interact. energy: -0.062
local terms energy: -51.203376
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -3.806
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: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -86.672087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.672087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.672087 (E_RNA)
where:
Base-Base interactions energy: -48.529
where: short stacking energy: -44.204
Base-Backbone interact. energy: -0.101
local terms energy: -38.042170
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: 2.305
tors. eta vs tors. theta energy: -10.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -78.211145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.211145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.211145 (E_RNA)
where:
Base-Base interactions energy: -31.678
where: short stacking energy: -24.142
Base-Backbone interact. energy: -0.081
local terms energy: -46.451477
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -197.404913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.404913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.404913 (E_RNA)
where:
Base-Base interactions energy: -127.647
where: short stacking energy: -55.850
Base-Backbone interact. energy: -0.465
local terms energy: -69.293048
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -12.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -202.338150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.338150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.338150 (E_RNA)
where:
Base-Base interactions energy: -143.744
where: short stacking energy: -54.274
Base-Backbone interact. energy: -0.552
local terms energy: -58.042366
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -188.592335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.592335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.592335 (E_RNA)
where:
Base-Base interactions energy: -118.330
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.094
local terms energy: -70.168614
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -180.000122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.000122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.000122 (E_RNA)
where:
Base-Base interactions energy: -101.970
where: short stacking energy: -56.916
Base-Backbone interact. energy: -0.239
local terms energy: -77.791228
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -165.839063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.839063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.839063 (E_RNA)
where:
Base-Base interactions energy: -110.869
where: short stacking energy: -40.765
Base-Backbone interact. energy: 0.847
local terms energy: -55.817213
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -150.783822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.783822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.783822 (E_RNA)
where:
Base-Base interactions energy: -91.188
where: short stacking energy: -44.183
Base-Backbone interact. energy: -0.269
local terms energy: -59.326529
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -8.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -98.068475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.068475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.068475 (E_RNA)
where:
Base-Base interactions energy: -44.151
where: short stacking energy: -32.689
Base-Backbone interact. energy: -0.062
local terms energy: -53.855192
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -97.882346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.882346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.882346 (E_RNA)
where:
Base-Base interactions energy: -39.142
where: short stacking energy: -39.142
Base-Backbone interact. energy: -0.053
local terms energy: -58.687312
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -12.362
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: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -94.957399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.957399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.957399 (E_RNA)
where:
Base-Base interactions energy: -36.532
where: short stacking energy: -31.106
Base-Backbone interact. energy: -0.325
local terms energy: -58.100232
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -73.193252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.193252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.193252 (E_RNA)
where:
Base-Base interactions energy: -22.909
where: short stacking energy: -16.698
Base-Backbone interact. energy: -0.204
local terms energy: -50.079768
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -195.371641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.371641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.371641 (E_RNA)
where:
Base-Base interactions energy: -124.779
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.008
local terms energy: -70.584204
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -183.467675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.467675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.467675 (E_RNA)
where:
Base-Base interactions energy: -113.143
where: short stacking energy: -64.539
Base-Backbone interact. energy: -0.016
local terms energy: -70.308641
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -201.330175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.330175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.330175 (E_RNA)
where:
Base-Base interactions energy: -137.713
where: short stacking energy: -48.587
Base-Backbone interact. energy: -0.559
local terms energy: -63.057870
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -13.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -178.757191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.757191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.757191 (E_RNA)
where:
Base-Base interactions energy: -119.079
where: short stacking energy: -52.047
Base-Backbone interact. energy: -0.110
local terms energy: -59.567836
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: 0.046
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: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -175.166544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.166544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.166544 (E_RNA)
where:
Base-Base interactions energy: -101.225
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.001
local terms energy: -73.940941
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -139.967768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.967768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.967768 (E_RNA)
where:
Base-Base interactions energy: -80.068
where: short stacking energy: -47.398
Base-Backbone interact. energy: -0.025
local terms energy: -59.875106
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -89.776199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.776199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.776199 (E_RNA)
where:
Base-Base interactions energy: -35.624
where: short stacking energy: -32.735
Base-Backbone interact. energy: -0.187
local terms energy: -53.965554
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.224
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: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -81.934590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.934590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.934590 (E_RNA)
where:
Base-Base interactions energy: -34.078
where: short stacking energy: -34.078
Base-Backbone interact. energy: -0.362
local terms energy: -47.494918
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -87.065034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.065034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.065034 (E_RNA)
where:
Base-Base interactions energy: -38.561
where: short stacking energy: -30.719
Base-Backbone interact. energy: 0.167
local terms energy: -48.670913
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -6.435
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: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -79.352810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.352810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.352810 (E_RNA)
where:
Base-Base interactions energy: -27.525
where: short stacking energy: -25.498
Base-Backbone interact. energy: 0.048
local terms energy: -51.875985
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -185.460889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.460889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.460889 (E_RNA)
where:
Base-Base interactions energy: -117.698
where: short stacking energy: -60.726
Base-Backbone interact. energy: -0.765
local terms energy: -66.997781
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -16.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -171.652540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.652540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.652540 (E_RNA)
where:
Base-Base interactions energy: -106.871
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.204
local terms energy: -64.577700
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.275
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: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -183.646099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.646099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.646099 (E_RNA)
where:
Base-Base interactions energy: -115.063
where: short stacking energy: -59.271
Base-Backbone interact. energy: -0.001
local terms energy: -68.582419
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -179.675235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.675235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.675235 (E_RNA)
where:
Base-Base interactions energy: -118.019
where: short stacking energy: -49.254
Base-Backbone interact. energy: -0.265
local terms energy: -61.391300
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -9.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -162.908097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.908097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.908097 (E_RNA)
where:
Base-Base interactions energy: -97.817
where: short stacking energy: -46.296
Base-Backbone interact. energy: 0.142
local terms energy: -65.233593
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -141.920321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.920321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.920321 (E_RNA)
where:
Base-Base interactions energy: -85.071
where: short stacking energy: -50.779
Base-Backbone interact. energy: -0.573
local terms energy: -56.276889
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -5.954
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: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -96.676675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.676675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.676675 (E_RNA)
where:
Base-Base interactions energy: -42.113
where: short stacking energy: -39.944
Base-Backbone interact. energy: -0.047
local terms energy: -54.516881
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -7.029
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: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -109.157340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.157340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.157340 (E_RNA)
where:
Base-Base interactions energy: -56.851
where: short stacking energy: -28.311
Base-Backbone interact. energy: -0.167
local terms energy: -52.139924
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -85.629493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.629493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.629493 (E_RNA)
where:
Base-Base interactions energy: -37.375
where: short stacking energy: -22.250
Base-Backbone interact. energy: -0.125
local terms energy: -48.129899
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -80.972756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.972756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.972756 (E_RNA)
where:
Base-Base interactions energy: -33.108
where: short stacking energy: -33.108
Base-Backbone interact. energy: -0.009
local terms energy: -47.855850
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -7.731
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: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -176.305514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.305514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.305514 (E_RNA)
where:
Base-Base interactions energy: -113.889
where: short stacking energy: -54.757
Base-Backbone interact. energy: -0.776
local terms energy: -61.639790
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -14.292
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: 345
Temperature: 0.950000
Total energy: -186.209109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.209109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.209109 (E_RNA)
where:
Base-Base interactions energy: -119.922
where: short stacking energy: -51.925
Base-Backbone interact. energy: -0.074
local terms energy: -66.212987
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -207.218946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.218946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.218946 (E_RNA)
where:
Base-Base interactions energy: -135.912
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.027
local terms energy: -71.279990
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -198.089049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.089049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.089049 (E_RNA)
where:
Base-Base interactions energy: -131.970
where: short stacking energy: -63.550
Base-Backbone interact. energy: -1.121
local terms energy: -64.997482
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -164.666624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.666624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.666624 (E_RNA)
where:
Base-Base interactions energy: -96.673
where: short stacking energy: -46.950
Base-Backbone interact. energy: -0.263
local terms energy: -67.730153
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.620
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: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -138.092200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.092200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.092200 (E_RNA)
where:
Base-Base interactions energy: -76.158
where: short stacking energy: -41.745
Base-Backbone interact. energy: -0.849
local terms energy: -61.084945
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -85.625389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.625389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.625389 (E_RNA)
where:
Base-Base interactions energy: -39.219
where: short stacking energy: -22.585
Base-Backbone interact. energy: 0.092
local terms energy: -46.498768
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -125.715811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.715811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.715811 (E_RNA)
where:
Base-Base interactions energy: -73.568
where: short stacking energy: -29.620
Base-Backbone interact. energy: -0.323
local terms energy: -51.825311
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -8.303
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: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -83.979516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.979516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.979516 (E_RNA)
where:
Base-Base interactions energy: -44.092
where: short stacking energy: -28.619
Base-Backbone interact. energy: 2.578
local terms energy: -42.465444
where:
bonds (distance) C4'-P energy: -8.737
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -8.243
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -77.850595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.850595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.850595 (E_RNA)
where:
Base-Base interactions energy: -26.037
where: short stacking energy: -23.524
Base-Backbone interact. energy: -0.041
local terms energy: -51.772876
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -189.932116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.932116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.932116 (E_RNA)
where:
Base-Base interactions energy: -114.937
where: short stacking energy: -60.597
Base-Backbone interact. energy: -0.862
local terms energy: -74.133046
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -16.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -189.332778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.332778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.332778 (E_RNA)
where:
Base-Base interactions energy: -125.920
where: short stacking energy: -60.875
Base-Backbone interact. energy: -0.261
local terms energy: -63.151507
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -12.479
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: 346
Temperature: 1.000000
Total energy: -180.017300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.017300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.017300 (E_RNA)
where:
Base-Base interactions energy: -123.726
where: short stacking energy: -46.968
Base-Backbone interact. energy: -0.244
local terms energy: -56.047741
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -181.492166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.492166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.492166 (E_RNA)
where:
Base-Base interactions energy: -118.818
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.042
local terms energy: -62.632130
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -182.747262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.747262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.747262 (E_RNA)
where:
Base-Base interactions energy: -121.745
where: short stacking energy: -46.279
Base-Backbone interact. energy: -0.025
local terms energy: -60.977293
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -153.429041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.429041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.429041 (E_RNA)
where:
Base-Base interactions energy: -89.252
where: short stacking energy: -47.857
Base-Backbone interact. energy: -0.265
local terms energy: -63.912830
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -97.435414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.435414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.435414 (E_RNA)
where:
Base-Base interactions energy: -43.162
where: short stacking energy: -23.915
Base-Backbone interact. energy: -0.189
local terms energy: -54.085223
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -85.842143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.842143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.842143 (E_RNA)
where:
Base-Base interactions energy: -32.818
where: short stacking energy: -23.542
Base-Backbone interact. energy: 0.538
local terms energy: -53.562767
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -85.252199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.252199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.252199 (E_RNA)
where:
Base-Base interactions energy: -31.657
where: short stacking energy: -28.504
Base-Backbone interact. energy: -1.014
local terms energy: -52.581117
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -81.556909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.556909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.556909 (E_RNA)
where:
Base-Base interactions energy: -27.416
where: short stacking energy: -27.416
Base-Backbone interact. energy: -0.118
local terms energy: -54.023090
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -197.476446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.476446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.476446 (E_RNA)
where:
Base-Base interactions energy: -129.782
where: short stacking energy: -52.154
Base-Backbone interact. energy: -0.225
local terms energy: -67.468798
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -204.142511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.142511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.142511 (E_RNA)
where:
Base-Base interactions energy: -139.502
where: short stacking energy: -59.762
Base-Backbone interact. energy: -0.169
local terms energy: -64.471623
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -196.626497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.626497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.626497 (E_RNA)
where:
Base-Base interactions energy: -128.016
where: short stacking energy: -56.156
Base-Backbone interact. energy: -0.197
local terms energy: -68.414188
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -189.940385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.940385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.940385 (E_RNA)
where:
Base-Base interactions energy: -123.289
where: short stacking energy: -56.119
Base-Backbone interact. energy: -0.437
local terms energy: -66.214012
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -12.162
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: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -152.897497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.897497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.897497 (E_RNA)
where:
Base-Base interactions energy: -88.847
where: short stacking energy: -47.078
Base-Backbone interact. energy: -0.254
local terms energy: -63.796862
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -157.761704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.761704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.761704 (E_RNA)
where:
Base-Base interactions energy: -104.659
where: short stacking energy: -42.902
Base-Backbone interact. energy: -1.121
local terms energy: -51.980980
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -8.188
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -87.759958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.759958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.759958 (E_RNA)
where:
Base-Base interactions energy: -39.102
where: short stacking energy: -30.190
Base-Backbone interact. energy: -0.554
local terms energy: -48.104450
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -87.759449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.759449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.759449 (E_RNA)
where:
Base-Base interactions energy: -35.408
where: short stacking energy: -35.408
Base-Backbone interact. energy: -0.172
local terms energy: -52.179515
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -6.533
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: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -73.746831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.746831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.746831 (E_RNA)
where:
Base-Base interactions energy: -26.516
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.441
local terms energy: -46.790777
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: 2.318
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: 347
Temperature: 1.350000
Total energy: -73.538331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.538331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.538331 (E_RNA)
where:
Base-Base interactions energy: -28.381
where: short stacking energy: -28.381
Base-Backbone interact. energy: -0.138
local terms energy: -45.019672
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -5.141
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -212.149781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.149781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.149781 (E_RNA)
where:
Base-Base interactions energy: -133.835
where: short stacking energy: -65.986
Base-Backbone interact. energy: -0.063
local terms energy: -78.251323
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -17.519
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: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -203.042835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.042835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.042835 (E_RNA)
where:
Base-Base interactions energy: -133.914
where: short stacking energy: -52.850
Base-Backbone interact. energy: -0.044
local terms energy: -69.085188
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -197.440790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.440790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.440790 (E_RNA)
where:
Base-Base interactions energy: -132.201
where: short stacking energy: -57.216
Base-Backbone interact. energy: 1.352
local terms energy: -66.591754
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -12.234
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: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -189.910209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.910209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.910209 (E_RNA)
where:
Base-Base interactions energy: -127.129
where: short stacking energy: -63.592
Base-Backbone interact. energy: -0.673
local terms energy: -62.108055
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -8.164
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: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -158.956086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.956086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.956086 (E_RNA)
where:
Base-Base interactions energy: -92.021
where: short stacking energy: -50.028
Base-Backbone interact. energy: -0.088
local terms energy: -66.847167
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -9.980
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: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -146.143663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.143663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.143663 (E_RNA)
where:
Base-Base interactions energy: -94.455
where: short stacking energy: -42.506
Base-Backbone interact. energy: -0.315
local terms energy: -51.373490
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -8.869
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: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -99.264492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.264492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.264492 (E_RNA)
where:
Base-Base interactions energy: -47.939
where: short stacking energy: -39.785
Base-Backbone interact. energy: -0.089
local terms energy: -51.235772
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -83.966419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.966419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.966419 (E_RNA)
where:
Base-Base interactions energy: -41.264
where: short stacking energy: -32.010
Base-Backbone interact. energy: -0.392
local terms energy: -42.310256
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -9.392
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: 0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -121.031197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.031197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.031197 (E_RNA)
where:
Base-Base interactions energy: -63.043
where: short stacking energy: -34.585
Base-Backbone interact. energy: -0.404
local terms energy: -57.584634
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -79.773732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.773732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.773732 (E_RNA)
where:
Base-Base interactions energy: -30.964
where: short stacking energy: -30.564
Base-Backbone interact. energy: -0.086
local terms energy: -48.723970
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -204.185098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.185098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.185098 (E_RNA)
where:
Base-Base interactions energy: -131.665
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.054
local terms energy: -72.465854
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -15.236
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: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -181.564384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.564384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.564384 (E_RNA)
where:
Base-Base interactions energy: -111.521
where: short stacking energy: -55.184
Base-Backbone interact. energy: -0.258
local terms energy: -69.785354
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -12.465
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: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -201.537486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.537486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.537486 (E_RNA)
where:
Base-Base interactions energy: -129.334
where: short stacking energy: -59.046
Base-Backbone interact. energy: -0.025
local terms energy: -72.179020
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -175.574370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.574370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.574370 (E_RNA)
where:
Base-Base interactions energy: -123.111
where: short stacking energy: -51.808
Base-Backbone interact. energy: -0.010
local terms energy: -52.453209
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -7.699
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -11.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -150.204032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.204032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.204032 (E_RNA)
where:
Base-Base interactions energy: -87.469
where: short stacking energy: -41.976
Base-Backbone interact. energy: -1.126
local terms energy: -61.608879
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -6.395
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: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -158.425735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.425735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.425735 (E_RNA)
where:
Base-Base interactions energy: -96.149
where: short stacking energy: -51.011
Base-Backbone interact. energy: -0.149
local terms energy: -62.127632
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -13.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -105.392827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.392827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.392827 (E_RNA)
where:
Base-Base interactions energy: -50.305
where: short stacking energy: -49.204
Base-Backbone interact. energy: -0.031
local terms energy: -55.056691
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -10.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -86.283658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.283658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.283658 (E_RNA)
where:
Base-Base interactions energy: -38.834
where: short stacking energy: -27.267
Base-Backbone interact. energy: 0.464
local terms energy: -47.912772
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -0.937
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: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -84.506082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.506082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.506082 (E_RNA)
where:
Base-Base interactions energy: -35.377
where: short stacking energy: -29.101
Base-Backbone interact. energy: -0.094
local terms energy: -49.035983
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -71.745673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.745673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.745673 (E_RNA)
where:
Base-Base interactions energy: -20.000
where: short stacking energy: -20.000
Base-Backbone interact. energy: 1.000
local terms energy: -52.745824
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: 0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -208.404603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.404603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.404603 (E_RNA)
where:
Base-Base interactions energy: -145.057
where: short stacking energy: -67.573
Base-Backbone interact. energy: -0.338
local terms energy: -63.009064
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -14.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -189.068956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.068956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.068956 (E_RNA)
where:
Base-Base interactions energy: -115.765
where: short stacking energy: -67.984
Base-Backbone interact. energy: 0.826
local terms energy: -74.129477
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -202.607449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.607449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.607449 (E_RNA)
where:
Base-Base interactions energy: -133.480
where: short stacking energy: -63.258
Base-Backbone interact. energy: -0.038
local terms energy: -69.090100
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -11.623
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: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -177.017762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.017762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.017762 (E_RNA)
where:
Base-Base interactions energy: -104.263
where: short stacking energy: -57.007
Base-Backbone interact. energy: -0.009
local terms energy: -72.745374
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -9.706
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: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -157.523214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.523214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.523214 (E_RNA)
where:
Base-Base interactions energy: -97.733
where: short stacking energy: -47.922
Base-Backbone interact. energy: -0.006
local terms energy: -59.784623
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -156.702670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.702670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.702670 (E_RNA)
where:
Base-Base interactions energy: -100.028
where: short stacking energy: -52.083
Base-Backbone interact. energy: -0.965
local terms energy: -55.709683
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -2.245
tors. eta vs tors. theta energy: -13.254
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: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -98.605833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.605833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.605833 (E_RNA)
where:
Base-Base interactions energy: -49.565
where: short stacking energy: -31.117
Base-Backbone interact. energy: -0.440
local terms energy: -48.600575
where:
bonds (distance) C4'-P energy: -9.050
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -88.528965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.528965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.528965 (E_RNA)
where:
Base-Base interactions energy: -39.633
where: short stacking energy: -33.953
Base-Backbone interact. energy: -0.431
local terms energy: -48.464984
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -76.202095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.202095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.202095 (E_RNA)
where:
Base-Base interactions energy: -25.916
where: short stacking energy: -24.512
Base-Backbone interact. energy: 0.280
local terms energy: -50.566395
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -7.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -80.690021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.690021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.690021 (E_RNA)
where:
Base-Base interactions energy: -36.477
where: short stacking energy: -24.617
Base-Backbone interact. energy: -0.250
local terms energy: -43.962947
where:
bonds (distance) C4'-P energy: -7.474
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -211.060229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.060229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.060229 (E_RNA)
where:
Base-Base interactions energy: -140.088
where: short stacking energy: -56.686
Base-Backbone interact. energy: -0.133
local terms energy: -70.839147
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -198.799682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.799682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.799682 (E_RNA)
where:
Base-Base interactions energy: -127.239
where: short stacking energy: -64.714
Base-Backbone interact. energy: -0.378
local terms energy: -71.182263
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -195.990554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.990554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.990554 (E_RNA)
where:
Base-Base interactions energy: -127.565
where: short stacking energy: -52.096
Base-Backbone interact. energy: -0.014
local terms energy: -68.411028
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -15.777
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: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -181.535842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.535842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.535842 (E_RNA)
where:
Base-Base interactions energy: -117.082
where: short stacking energy: -50.990
Base-Backbone interact. energy: 1.936
local terms energy: -66.389851
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -178.595217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.595217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.595217 (E_RNA)
where:
Base-Base interactions energy: -112.189
where: short stacking energy: -53.033
Base-Backbone interact. energy: -0.011
local terms energy: -66.395243
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -13.476
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: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -168.656286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.656286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.656286 (E_RNA)
where:
Base-Base interactions energy: -107.104
where: short stacking energy: -51.757
Base-Backbone interact. energy: -0.124
local terms energy: -61.428097
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -94.295417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.295417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.295417 (E_RNA)
where:
Base-Base interactions energy: -54.675
where: short stacking energy: -31.437
Base-Backbone interact. energy: -0.586
local terms energy: -39.034456
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -5.339
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: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -101.952298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.952298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.952298 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -44.194
Base-Backbone interact. energy: -0.000
local terms energy: -57.757490
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -83.915704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.915704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.915704 (E_RNA)
where:
Base-Base interactions energy: -36.724
where: short stacking energy: -34.407
Base-Backbone interact. energy: -0.403
local terms energy: -46.788803
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -80.980454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.980454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.980454 (E_RNA)
where:
Base-Base interactions energy: -35.765
where: short stacking energy: -33.037
Base-Backbone interact. energy: -0.203
local terms energy: -45.012386
where:
bonds (distance) C4'-P energy: -4.480
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -5.153
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: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -211.535891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.535891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.535891 (E_RNA)
where:
Base-Base interactions energy: -138.063
where: short stacking energy: -67.908
Base-Backbone interact. energy: -0.006
local terms energy: -73.467368
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -20.797
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: 352
Temperature: 0.950000
Total energy: -200.195980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.195980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.195980 (E_RNA)
where:
Base-Base interactions energy: -128.554
where: short stacking energy: -56.774
Base-Backbone interact. energy: -0.986
local terms energy: -70.655645
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -185.737030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.737030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.737030 (E_RNA)
where:
Base-Base interactions energy: -124.148
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.002
local terms energy: -61.586569
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -184.956637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.956637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.956637 (E_RNA)
where:
Base-Base interactions energy: -122.992
where: short stacking energy: -49.006
Base-Backbone interact. energy: -0.604
local terms energy: -61.360864
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -172.641833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.641833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.641833 (E_RNA)
where:
Base-Base interactions energy: -105.177
where: short stacking energy: -63.081
Base-Backbone interact. energy: -0.661
local terms energy: -66.804290
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -153.901914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.901914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.901914 (E_RNA)
where:
Base-Base interactions energy: -101.524
where: short stacking energy: -49.959
Base-Backbone interact. energy: -0.217
local terms energy: -52.160453
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -92.968979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.968979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.968979 (E_RNA)
where:
Base-Base interactions energy: -40.501
where: short stacking energy: -29.343
Base-Backbone interact. energy: -0.232
local terms energy: -52.235747
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -7.943
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -89.686234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.686234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.686234 (E_RNA)
where:
Base-Base interactions energy: -44.705
where: short stacking energy: -34.187
Base-Backbone interact. energy: -1.020
local terms energy: -43.961529
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -88.600585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.600585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.600585 (E_RNA)
where:
Base-Base interactions energy: -36.949
where: short stacking energy: -29.659
Base-Backbone interact. energy: -0.056
local terms energy: -51.595275
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -4.917
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: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -89.388962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.388962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.388962 (E_RNA)
where:
Base-Base interactions energy: -39.114
where: short stacking energy: -34.599
Base-Backbone interact. energy: 0.275
local terms energy: -50.549979
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -204.225649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.225649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.225649 (E_RNA)
where:
Base-Base interactions energy: -130.774
where: short stacking energy: -59.104
Base-Backbone interact. energy: -0.180
local terms energy: -73.271224
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -194.484983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.484983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.484983 (E_RNA)
where:
Base-Base interactions energy: -115.615
where: short stacking energy: -67.654
Base-Backbone interact. energy: -0.001
local terms energy: -78.869701
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -21.096
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: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -206.416960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.416960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.416960 (E_RNA)
where:
Base-Base interactions energy: -138.890
where: short stacking energy: -55.387
Base-Backbone interact. energy: -0.403
local terms energy: -67.124493
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -10.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -187.916732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.916732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.916732 (E_RNA)
where:
Base-Base interactions energy: -112.746
where: short stacking energy: -58.197
Base-Backbone interact. energy: 0.137
local terms energy: -75.307969
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -165.689188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.689188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.689188 (E_RNA)
where:
Base-Base interactions energy: -94.504
where: short stacking energy: -47.030
Base-Backbone interact. energy: -0.081
local terms energy: -71.104347
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -9.814
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: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -159.413257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.413257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.413257 (E_RNA)
where:
Base-Base interactions energy: -96.515
where: short stacking energy: -55.563
Base-Backbone interact. energy: -0.007
local terms energy: -62.891072
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -9.081
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -92.729618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.729618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.729618 (E_RNA)
where:
Base-Base interactions energy: -37.777
where: short stacking energy: -35.341
Base-Backbone interact. energy: -0.204
local terms energy: -54.748724
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -80.026123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.026123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.026123 (E_RNA)
where:
Base-Base interactions energy: -38.229
where: short stacking energy: -30.385
Base-Backbone interact. energy: -0.141
local terms energy: -41.656420
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -9.389
flat angles P-C4'-P energy: -8.388
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: 353
Temperature: 1.300000
Total energy: -85.938699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.938699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.938699 (E_RNA)
where:
Base-Base interactions energy: -37.270
where: short stacking energy: -22.087
Base-Backbone interact. energy: -0.172
local terms energy: -48.496912
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -81.871416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.871416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.871416 (E_RNA)
where:
Base-Base interactions energy: -30.543
where: short stacking energy: -21.527
Base-Backbone interact. energy: -0.184
local terms energy: -51.143879
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: 0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -198.649886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.649886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.649886 (E_RNA)
where:
Base-Base interactions energy: -133.631
where: short stacking energy: -66.865
Base-Backbone interact. energy: -0.116
local terms energy: -64.903078
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -15.854
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: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -195.272813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.272813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.272813 (E_RNA)
where:
Base-Base interactions energy: -124.685
where: short stacking energy: -62.165
Base-Backbone interact. energy: -0.096
local terms energy: -70.491216
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -200.971451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.971451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.971451 (E_RNA)
where:
Base-Base interactions energy: -133.165
where: short stacking energy: -47.303
Base-Backbone interact. energy: -0.346
local terms energy: -67.460136
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -199.492680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.492680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.492680 (E_RNA)
where:
Base-Base interactions energy: -141.803
where: short stacking energy: -51.966
Base-Backbone interact. energy: -0.369
local terms energy: -57.321380
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -9.337
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: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -169.014691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.014691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.014691 (E_RNA)
where:
Base-Base interactions energy: -97.855
where: short stacking energy: -50.869
Base-Backbone interact. energy: -0.002
local terms energy: -71.157958
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -17.055
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: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -157.523254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.523254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.523254 (E_RNA)
where:
Base-Base interactions energy: -95.946
where: short stacking energy: -50.218
Base-Backbone interact. energy: -0.495
local terms energy: -61.082305
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -11.432
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: 354
Temperature: 1.200000
Total energy: -87.945510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.945510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.945510 (E_RNA)
where:
Base-Base interactions energy: -29.826
where: short stacking energy: -28.425
Base-Backbone interact. energy: -0.113
local terms energy: -58.005797
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -6.281
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: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -90.089852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.089852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.089852 (E_RNA)
where:
Base-Base interactions energy: -35.873
where: short stacking energy: -25.060
Base-Backbone interact. energy: -0.151
local terms energy: -54.066176
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -5.524
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: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -81.428739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.428739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.428739 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.072
local terms energy: -49.618740
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -7.469
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -85.801457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.801457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.801457 (E_RNA)
where:
Base-Base interactions energy: -34.975
where: short stacking energy: -28.311
Base-Backbone interact. energy: -0.068
local terms energy: -50.757845
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -192.098223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.098223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.098223 (E_RNA)
where:
Base-Base interactions energy: -114.984
where: short stacking energy: -60.765
Base-Backbone interact. energy: -0.110
local terms energy: -77.004307
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -185.491213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.491213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.491213 (E_RNA)
where:
Base-Base interactions energy: -118.387
where: short stacking energy: -49.604
Base-Backbone interact. energy: -0.067
local terms energy: -67.036733
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -8.556
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: 3, replica: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -194.363439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.363439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.363439 (E_RNA)
where:
Base-Base interactions energy: -120.266
where: short stacking energy: -65.506
Base-Backbone interact. energy: -0.594
local terms energy: -73.503374
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -15.526
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: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -183.645583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.645583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.645583 (E_RNA)
where:
Base-Base interactions energy: -122.394
where: short stacking energy: -55.766
Base-Backbone interact. energy: 0.110
local terms energy: -61.361181
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -10.624
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: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -161.361445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.361445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.361445 (E_RNA)
where:
Base-Base interactions energy: -105.223
where: short stacking energy: -46.646
Base-Backbone interact. energy: -1.036
local terms energy: -55.102696
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -99.188938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.188938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.188938 (E_RNA)
where:
Base-Base interactions energy: -40.201
where: short stacking energy: -35.989
Base-Backbone interact. energy: -0.508
local terms energy: -58.480179
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -156.728347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.728347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.728347 (E_RNA)
where:
Base-Base interactions energy: -92.226
where: short stacking energy: -46.780
Base-Backbone interact. energy: 1.254
local terms energy: -65.757137
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -87.017807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.017807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.017807 (E_RNA)
where:
Base-Base interactions energy: -32.679
where: short stacking energy: -32.679
Base-Backbone interact. energy: -0.039
local terms energy: -54.300341
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -88.440670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.440670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.440670 (E_RNA)
where:
Base-Base interactions energy: -29.149
where: short stacking energy: -29.010
Base-Backbone interact. energy: -0.054
local terms energy: -59.237145
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -73.236068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.236068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.236068 (E_RNA)
where:
Base-Base interactions energy: -32.516
where: short stacking energy: -27.651
Base-Backbone interact. energy: 1.036
local terms energy: -41.756158
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -8.109
flat angles C4'-P-C4' energy: -8.216
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -199.111977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.111977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.111977 (E_RNA)
where:
Base-Base interactions energy: -138.627
where: short stacking energy: -50.623
Base-Backbone interact. energy: -0.529
local terms energy: -59.955281
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -12.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -182.725811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.725811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.725811 (E_RNA)
where:
Base-Base interactions energy: -112.713
where: short stacking energy: -59.297
Base-Backbone interact. energy: -0.853
local terms energy: -69.159728
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -196.443614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.443614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.443614 (E_RNA)
where:
Base-Base interactions energy: -128.961
where: short stacking energy: -60.701
Base-Backbone interact. energy: -0.007
local terms energy: -67.476092
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -16.851
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: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -190.037073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.037073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.037073 (E_RNA)
where:
Base-Base interactions energy: -124.909
where: short stacking energy: -56.614
Base-Backbone interact. energy: -0.125
local terms energy: -65.003317
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -148.048001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.048001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.048001 (E_RNA)
where:
Base-Base interactions energy: -88.627
where: short stacking energy: -48.271
Base-Backbone interact. energy: -0.028
local terms energy: -59.393303
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -12.969
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: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -104.035279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.035279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.035279 (E_RNA)
where:
Base-Base interactions energy: -53.135
where: short stacking energy: -41.688
Base-Backbone interact. energy: 0.311
local terms energy: -51.212070
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -88.464900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.464900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.464900 (E_RNA)
where:
Base-Base interactions energy: -35.693
where: short stacking energy: -33.176
Base-Backbone interact. energy: -0.000
local terms energy: -52.771089
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -148.630235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.630235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.630235 (E_RNA)
where:
Base-Base interactions energy: -93.668
where: short stacking energy: -50.476
Base-Backbone interact. energy: -0.166
local terms energy: -54.796763
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -8.643
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -11.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -92.951323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.951323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.951323 (E_RNA)
where:
Base-Base interactions energy: -41.178
where: short stacking energy: -36.297
Base-Backbone interact. energy: -0.372
local terms energy: -51.401562
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -7.476
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -76.495903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.495903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.495903 (E_RNA)
where:
Base-Base interactions energy: -29.666
where: short stacking energy: -23.302
Base-Backbone interact. energy: -0.331
local terms energy: -46.499257
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -202.134179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.134179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.134179 (E_RNA)
where:
Base-Base interactions energy: -130.048
where: short stacking energy: -63.526
Base-Backbone interact. energy: -0.029
local terms energy: -72.056849
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -205.773880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.773880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.773880 (E_RNA)
where:
Base-Base interactions energy: -132.286
where: short stacking energy: -61.112
Base-Backbone interact. energy: -0.027
local terms energy: -73.461530
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -17.410
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: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -184.994211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.994211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.994211 (E_RNA)
where:
Base-Base interactions energy: -116.689
where: short stacking energy: -61.943
Base-Backbone interact. energy: -0.115
local terms energy: -68.190402
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -181.364803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.364803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.364803 (E_RNA)
where:
Base-Base interactions energy: -121.761
where: short stacking energy: -58.937
Base-Backbone interact. energy: -0.126
local terms energy: -59.477284
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -167.233364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.233364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.233364 (E_RNA)
where:
Base-Base interactions energy: -96.267
where: short stacking energy: -61.974
Base-Backbone interact. energy: -0.048
local terms energy: -70.918664
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -120.256309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.256309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.256309 (E_RNA)
where:
Base-Base interactions energy: -71.444
where: short stacking energy: -36.201
Base-Backbone interact. energy: -0.272
local terms energy: -48.540691
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -100.398558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.398558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.398558 (E_RNA)
where:
Base-Base interactions energy: -51.269
where: short stacking energy: -40.219
Base-Backbone interact. energy: -0.153
local terms energy: -48.976017
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -5.715
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: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -133.704839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.704839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.704839 (E_RNA)
where:
Base-Base interactions energy: -73.219
where: short stacking energy: -48.500
Base-Backbone interact. energy: -0.027
local terms energy: -60.458904
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -5.409
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: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -86.823255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.823255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.823255 (E_RNA)
where:
Base-Base interactions energy: -33.234
where: short stacking energy: -33.234
Base-Backbone interact. energy: -0.127
local terms energy: -53.462407
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -78.082941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.082941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.082941 (E_RNA)
where:
Base-Base interactions energy: -33.633
where: short stacking energy: -29.561
Base-Backbone interact. energy: -1.474
local terms energy: -42.975920
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -0.110
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -210.434321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.434321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.434321 (E_RNA)
where:
Base-Base interactions energy: -136.593
where: short stacking energy: -59.223
Base-Backbone interact. energy: -0.006
local terms energy: -73.835477
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -16.102
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: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -203.145137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.145137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.145137 (E_RNA)
where:
Base-Base interactions energy: -134.088
where: short stacking energy: -53.709
Base-Backbone interact. energy: 1.059
local terms energy: -70.115935
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -209.107353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.107353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.107353 (E_RNA)
where:
Base-Base interactions energy: -139.992
where: short stacking energy: -58.572
Base-Backbone interact. energy: -0.341
local terms energy: -68.774212
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -195.517857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.517857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.517857 (E_RNA)
where:
Base-Base interactions energy: -133.184
where: short stacking energy: -59.434
Base-Backbone interact. energy: -1.829
local terms energy: -60.505696
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -137.565862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.565862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.565862 (E_RNA)
where:
Base-Base interactions energy: -67.418
where: short stacking energy: -41.480
Base-Backbone interact. energy: -2.270
local terms energy: -67.877985
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -7.744
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: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -175.360439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.360439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.360439 (E_RNA)
where:
Base-Base interactions energy: -107.319
where: short stacking energy: -58.951
Base-Backbone interact. energy: -0.319
local terms energy: -67.722938
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -20.648
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: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -132.103661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.103661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.103661 (E_RNA)
where:
Base-Base interactions energy: -80.767
where: short stacking energy: -35.479
Base-Backbone interact. energy: -0.202
local terms energy: -51.135181
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: 1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -97.931124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.931124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.931124 (E_RNA)
where:
Base-Base interactions energy: -46.042
where: short stacking energy: -27.952
Base-Backbone interact. energy: -0.131
local terms energy: -51.757476
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -8.434
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: 9, replica: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -78.923884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.923884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.923884 (E_RNA)
where:
Base-Base interactions energy: -32.982
where: short stacking energy: -24.416
Base-Backbone interact. energy: -0.286
local terms energy: -45.656002
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -9.902
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -6.104
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: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -75.887945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.887945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.887945 (E_RNA)
where:
Base-Base interactions energy: -26.357
where: short stacking energy: -26.357
Base-Backbone interact. energy: -0.153
local terms energy: -49.377948
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -9.344
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -201.649934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.649934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.649934 (E_RNA)
where:
Base-Base interactions energy: -134.974
where: short stacking energy: -58.484
Base-Backbone interact. energy: -0.021
local terms energy: -66.655637
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -13.959
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: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -214.807721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.807721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.807721 (E_RNA)
where:
Base-Base interactions energy: -151.141
where: short stacking energy: -59.606
Base-Backbone interact. energy: -0.424
local terms energy: -63.242495
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -192.764359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.764359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.764359 (E_RNA)
where:
Base-Base interactions energy: -119.696
where: short stacking energy: -64.895
Base-Backbone interact. energy: -0.002
local terms energy: -73.066374
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -18.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -187.889231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.889231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.889231 (E_RNA)
where:
Base-Base interactions energy: -120.797
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.009
local terms energy: -67.083170
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -129.329176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.329176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.329176 (E_RNA)
where:
Base-Base interactions energy: -66.604
where: short stacking energy: -42.854
Base-Backbone interact. energy: 0.074
local terms energy: -62.799331
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -164.679213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.679213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.679213 (E_RNA)
where:
Base-Base interactions energy: -94.709
where: short stacking energy: -58.872
Base-Backbone interact. energy: 1.205
local terms energy: -71.175393
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -99.205079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.205079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.205079 (E_RNA)
where:
Base-Base interactions energy: -45.132
where: short stacking energy: -33.996
Base-Backbone interact. energy: -0.331
local terms energy: -53.742073
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -98.971559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.971559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.971559 (E_RNA)
where:
Base-Base interactions energy: -41.873
where: short stacking energy: -40.109
Base-Backbone interact. energy: -0.202
local terms energy: -56.896327
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -78.815406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.815406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.815406 (E_RNA)
where:
Base-Base interactions energy: -29.753
where: short stacking energy: -24.242
Base-Backbone interact. energy: -0.832
local terms energy: -48.230158
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: 1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -77.155044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.155044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.155044 (E_RNA)
where:
Base-Base interactions energy: -42.300
where: short stacking energy: -28.630
Base-Backbone interact. energy: -0.359
local terms energy: -34.496847
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -10.220
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -220.188859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.188859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.188859 (E_RNA)
where:
Base-Base interactions energy: -149.414
where: short stacking energy: -59.758
Base-Backbone interact. energy: -0.273
local terms energy: -70.502275
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -202.161524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.161524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.161524 (E_RNA)
where:
Base-Base interactions energy: -129.983
where: short stacking energy: -60.344
Base-Backbone interact. energy: -0.002
local terms energy: -72.176600
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -198.792256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.792256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.792256 (E_RNA)
where:
Base-Base interactions energy: -129.830
where: short stacking energy: -51.178
Base-Backbone interact. energy: -0.714
local terms energy: -68.248642
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -197.029174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.029174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.029174 (E_RNA)
where:
Base-Base interactions energy: -129.312
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.243
local terms energy: -67.474117
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -167.788786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.788786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.788786 (E_RNA)
where:
Base-Base interactions energy: -98.871
where: short stacking energy: -49.926
Base-Backbone interact. energy: -0.036
local terms energy: -68.881598
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -102.314695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.314695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.314695 (E_RNA)
where:
Base-Base interactions energy: -47.410
where: short stacking energy: -45.181
Base-Backbone interact. energy: -0.080
local terms energy: -54.824493
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -92.490526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.490526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.490526 (E_RNA)
where:
Base-Base interactions energy: -31.801
where: short stacking energy: -26.490
Base-Backbone interact. energy: -0.398
local terms energy: -60.291440
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -109.409931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.409931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.409931 (E_RNA)
where:
Base-Base interactions energy: -56.793
where: short stacking energy: -34.967
Base-Backbone interact. energy: -0.291
local terms energy: -52.325422
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -9.445
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: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -78.278764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.278764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.278764 (E_RNA)
where:
Base-Base interactions energy: -36.932
where: short stacking energy: -27.963
Base-Backbone interact. energy: -0.122
local terms energy: -41.224323
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -75.490573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.490573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.490573 (E_RNA)
where:
Base-Base interactions energy: -23.519
where: short stacking energy: -23.519
Base-Backbone interact. energy: -0.122
local terms energy: -51.849305
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -6.348
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: 361
Temperature: 0.900000
Total energy: -215.883646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.883646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.883646 (E_RNA)
where:
Base-Base interactions energy: -147.431
where: short stacking energy: -58.027
Base-Backbone interact. energy: -1.643
local terms energy: -66.809487
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -202.224365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.224365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.224365 (E_RNA)
where:
Base-Base interactions energy: -144.306
where: short stacking energy: -59.758
Base-Backbone interact. energy: -0.780
local terms energy: -57.139180
where:
bonds (distance) C4'-P energy: -3.759
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -13.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -187.235526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.235526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.235526 (E_RNA)
where:
Base-Base interactions energy: -117.242
where: short stacking energy: -57.846
Base-Backbone interact. energy: -0.207
local terms energy: -69.786496
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -197.171681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.171681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.171681 (E_RNA)
where:
Base-Base interactions energy: -135.087
where: short stacking energy: -55.126
Base-Backbone interact. energy: -0.143
local terms energy: -61.941175
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -5.666
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -16.482
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: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -167.785953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.785953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.785953 (E_RNA)
where:
Base-Base interactions energy: -110.411
where: short stacking energy: -44.651
Base-Backbone interact. energy: -0.432
local terms energy: -56.942790
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -6.668
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: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -97.729451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.729451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.729451 (E_RNA)
where:
Base-Base interactions energy: -38.669
where: short stacking energy: -38.669
Base-Backbone interact. energy: -0.045
local terms energy: -59.015706
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -6.581
flat angles P-C4'-P energy: -8.214
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: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -78.913404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.913404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.913404 (E_RNA)
where:
Base-Base interactions energy: -31.071
where: short stacking energy: -24.004
Base-Backbone interact. energy: -0.119
local terms energy: -47.723059
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -90.414697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.414697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.414697 (E_RNA)
where:
Base-Base interactions energy: -43.073
where: short stacking energy: -27.257
Base-Backbone interact. energy: -0.241
local terms energy: -47.100390
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -8.212
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -78.741952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.741952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.741952 (E_RNA)
where:
Base-Base interactions energy: -35.933
where: short stacking energy: -24.413
Base-Backbone interact. energy: 1.244
local terms energy: -44.053180
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -9.218
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: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -79.895109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.895109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.895109 (E_RNA)
where:
Base-Base interactions energy: -31.240
where: short stacking energy: -31.440
Base-Backbone interact. energy: -0.165
local terms energy: -48.490437
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -2.614
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: 362
Temperature: 0.900000
Total energy: -211.248784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.248784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.248784 (E_RNA)
where:
Base-Base interactions energy: -141.239
where: short stacking energy: -50.690
Base-Backbone interact. energy: 0.064
local terms energy: -70.073351
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -218.306362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.306362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.306362 (E_RNA)
where:
Base-Base interactions energy: -149.683
where: short stacking energy: -53.089
Base-Backbone interact. energy: -0.892
local terms energy: -67.731107
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -201.784967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.784967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.784967 (E_RNA)
where:
Base-Base interactions energy: -125.681
where: short stacking energy: -60.397
Base-Backbone interact. energy: -0.071
local terms energy: -76.033027
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -10.721
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: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -186.731328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.731328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.731328 (E_RNA)
where:
Base-Base interactions energy: -117.190
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.909
local terms energy: -68.632546
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -118.128094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.128094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.128094 (E_RNA)
where:
Base-Base interactions energy: -57.355
where: short stacking energy: -41.819
Base-Backbone interact. energy: -0.556
local terms energy: -60.217429
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -11.976
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: 362
Temperature: 1.150000
Total energy: -164.242861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.242861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.242861 (E_RNA)
where:
Base-Base interactions energy: -95.638
where: short stacking energy: -45.666
Base-Backbone interact. energy: -0.537
local terms energy: -68.067752
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -12.841
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: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -95.510843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.510843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.510843 (E_RNA)
where:
Base-Base interactions energy: -45.027
where: short stacking energy: -35.769
Base-Backbone interact. energy: 1.121
local terms energy: -51.604059
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -88.689482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.689482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.689482 (E_RNA)
where:
Base-Base interactions energy: -35.094
where: short stacking energy: -35.094
Base-Backbone interact. energy: -0.065
local terms energy: -53.530669
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -2.940
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: 9, replica: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -86.640097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.640097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.640097 (E_RNA)
where:
Base-Base interactions energy: -39.039
where: short stacking energy: -38.392
Base-Backbone interact. energy: -0.100
local terms energy: -47.501400
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -6.492
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -74.163696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.163696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.163696 (E_RNA)
where:
Base-Base interactions energy: -28.921
where: short stacking energy: -20.877
Base-Backbone interact. energy: -0.095
local terms energy: -45.147662
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -0.236
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: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -204.220304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.220304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.220304 (E_RNA)
where:
Base-Base interactions energy: -134.547
where: short stacking energy: -56.082
Base-Backbone interact. energy: 0.469
local terms energy: -70.141972
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -196.644504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.644504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.644504 (E_RNA)
where:
Base-Base interactions energy: -122.816
where: short stacking energy: -63.643
Base-Backbone interact. energy: -0.030
local terms energy: -73.798466
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -9.584
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: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -199.505693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.505693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.505693 (E_RNA)
where:
Base-Base interactions energy: -132.992
where: short stacking energy: -57.766
Base-Backbone interact. energy: -0.256
local terms energy: -66.258121
where:
bonds (distance) C4'-P energy: -8.872
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -173.975313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.975313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.975313 (E_RNA)
where:
Base-Base interactions energy: -111.161
where: short stacking energy: -44.590
Base-Backbone interact. energy: -0.041
local terms energy: -62.772514
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -13.039
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: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -95.781124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.781124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.781124 (E_RNA)
where:
Base-Base interactions energy: -41.049
where: short stacking energy: -41.049
Base-Backbone interact. energy: 1.842
local terms energy: -56.574350
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -4.760
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: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -167.591528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.591528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.591528 (E_RNA)
where:
Base-Base interactions energy: -101.935
where: short stacking energy: -59.115
Base-Backbone interact. energy: -0.016
local terms energy: -65.640494
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -98.411675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.411675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.411675 (E_RNA)
where:
Base-Base interactions energy: -45.926
where: short stacking energy: -20.598
Base-Backbone interact. energy: -0.332
local terms energy: -52.152768
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -90.256767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.256767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.256767 (E_RNA)
where:
Base-Base interactions energy: -39.864
where: short stacking energy: -34.496
Base-Backbone interact. energy: -0.067
local terms energy: -50.325452
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -77.294746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.294746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.294746 (E_RNA)
where:
Base-Base interactions energy: -28.052
where: short stacking energy: -25.699
Base-Backbone interact. energy: -0.207
local terms energy: -49.035458
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -76.362405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.362405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.362405 (E_RNA)
where:
Base-Base interactions energy: -29.611
where: short stacking energy: -28.843
Base-Backbone interact. energy: -0.168
local terms energy: -46.583683
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -198.522947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.522947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.522947 (E_RNA)
where:
Base-Base interactions energy: -126.090
where: short stacking energy: -59.967
Base-Backbone interact. energy: -0.192
local terms energy: -72.240973
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -16.232
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: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -202.127906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.127906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.127906 (E_RNA)
where:
Base-Base interactions energy: -131.779
where: short stacking energy: -60.614
Base-Backbone interact. energy: -0.007
local terms energy: -70.342565
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -9.286
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -184.491644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.491644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.491644 (E_RNA)
where:
Base-Base interactions energy: -120.690
where: short stacking energy: -55.677
Base-Backbone interact. energy: -0.015
local terms energy: -63.786419
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -10.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -204.870543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.870543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.870543 (E_RNA)
where:
Base-Base interactions energy: -141.559
where: short stacking energy: -57.807
Base-Backbone interact. energy: -1.492
local terms energy: -61.819185
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -7.635
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: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -152.902295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.902295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.902295 (E_RNA)
where:
Base-Base interactions energy: -92.994
where: short stacking energy: -43.987
Base-Backbone interact. energy: -0.201
local terms energy: -59.706458
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -91.792015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.792015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.792015 (E_RNA)
where:
Base-Base interactions energy: -37.433
where: short stacking energy: -26.446
Base-Backbone interact. energy: -0.357
local terms energy: -54.001428
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -94.653401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.653401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.653401 (E_RNA)
where:
Base-Base interactions energy: -48.174
where: short stacking energy: -44.005
Base-Backbone interact. energy: 0.401
local terms energy: -46.880217
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -3.774
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: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -83.721011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.721011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.721011 (E_RNA)
where:
Base-Base interactions energy: -37.072
where: short stacking energy: -24.473
Base-Backbone interact. energy: -0.722
local terms energy: -45.927288
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -77.443030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.443030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.443030 (E_RNA)
where:
Base-Base interactions energy: -30.164
where: short stacking energy: -24.928
Base-Backbone interact. energy: 1.153
local terms energy: -48.432342
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -2.774
tors. eta vs tors. theta energy: -4.595
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: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -72.880401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.880401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.880401 (E_RNA)
where:
Base-Base interactions energy: -31.553
where: short stacking energy: -11.514
Base-Backbone interact. energy: -0.497
local terms energy: -40.830737
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: 6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -200.595944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.595944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.595944 (E_RNA)
where:
Base-Base interactions energy: -130.048
where: short stacking energy: -58.649
Base-Backbone interact. energy: -0.029
local terms energy: -70.519041
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -7.794
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: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -204.347046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.347046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.347046 (E_RNA)
where:
Base-Base interactions energy: -132.251
where: short stacking energy: -54.387
Base-Backbone interact. energy: -0.025
local terms energy: -72.071912
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -186.082918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.082918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.082918 (E_RNA)
where:
Base-Base interactions energy: -126.075
where: short stacking energy: -56.618
Base-Backbone interact. energy: 0.445
local terms energy: -60.452378
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -186.829889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.829889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.829889 (E_RNA)
where:
Base-Base interactions energy: -139.929
where: short stacking energy: -42.858
Base-Backbone interact. energy: -2.083
local terms energy: -44.817988
where:
bonds (distance) C4'-P energy: -7.861
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -180.574895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.574895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.574895 (E_RNA)
where:
Base-Base interactions energy: -106.462
where: short stacking energy: -62.650
Base-Backbone interact. energy: -0.002
local terms energy: -74.111120
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -95.475693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.475693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.475693 (E_RNA)
where:
Base-Base interactions energy: -37.054
where: short stacking energy: -36.178
Base-Backbone interact. energy: -0.137
local terms energy: -58.284907
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -13.585
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: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -91.605753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.605753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.605753 (E_RNA)
where:
Base-Base interactions energy: -38.115
where: short stacking energy: -37.703
Base-Backbone interact. energy: -0.051
local terms energy: -53.440569
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -93.728355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.728355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.728355 (E_RNA)
where:
Base-Base interactions energy: -42.688
where: short stacking energy: -25.119
Base-Backbone interact. energy: -0.117
local terms energy: -50.922749
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -7.223
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: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -78.577659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.577659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.577659 (E_RNA)
where:
Base-Base interactions energy: -32.012
where: short stacking energy: -19.907
Base-Backbone interact. energy: 2.213
local terms energy: -48.779086
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -9.335
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -84.132981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.132981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.132981 (E_RNA)
where:
Base-Base interactions energy: -35.116
where: short stacking energy: -25.976
Base-Backbone interact. energy: -0.091
local terms energy: -48.926163
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -208.016834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.016834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.016834 (E_RNA)
where:
Base-Base interactions energy: -144.278
where: short stacking energy: -64.286
Base-Backbone interact. energy: -0.209
local terms energy: -63.529754
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -204.845090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.845090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.845090 (E_RNA)
where:
Base-Base interactions energy: -136.377
where: short stacking energy: -68.916
Base-Backbone interact. energy: -0.232
local terms energy: -68.236126
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -15.358
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: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -194.385376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.385376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.385376 (E_RNA)
where:
Base-Base interactions energy: -137.275
where: short stacking energy: -59.524
Base-Backbone interact. energy: -0.232
local terms energy: -56.877948
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -183.135433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.135433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.135433 (E_RNA)
where:
Base-Base interactions energy: -119.500
where: short stacking energy: -47.416
Base-Backbone interact. energy: 1.630
local terms energy: -65.265208
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -159.070693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.070693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.070693 (E_RNA)
where:
Base-Base interactions energy: -105.681
where: short stacking energy: -48.223
Base-Backbone interact. energy: -0.030
local terms energy: -53.360637
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -6.037
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -9.295
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: 366
Temperature: 1.150000
Total energy: -97.345496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.345496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.345496 (E_RNA)
where:
Base-Base interactions energy: -40.932
where: short stacking energy: -37.439
Base-Backbone interact. energy: -0.293
local terms energy: -56.121190
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -95.650200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.650200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.650200 (E_RNA)
where:
Base-Base interactions energy: -35.403
where: short stacking energy: -33.131
Base-Backbone interact. energy: -0.859
local terms energy: -59.388084
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -84.310975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.310975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.310975 (E_RNA)
where:
Base-Base interactions energy: -31.120
where: short stacking energy: -31.094
Base-Backbone interact. energy: -0.274
local terms energy: -52.916598
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -11.983
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: 5
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -78.160102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.160102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.160102 (E_RNA)
where:
Base-Base interactions energy: -31.114
where: short stacking energy: -24.490
Base-Backbone interact. energy: 0.567
local terms energy: -47.613402
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: 0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -78.382360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.382360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.382360 (E_RNA)
where:
Base-Base interactions energy: -30.352
where: short stacking energy: -28.122
Base-Backbone interact. energy: -0.401
local terms energy: -47.629580
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: 4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -204.083878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.083878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.083878 (E_RNA)
where:
Base-Base interactions energy: -135.861
where: short stacking energy: -65.545
Base-Backbone interact. energy: -0.009
local terms energy: -68.213276
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -203.341068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.341068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.341068 (E_RNA)
where:
Base-Base interactions energy: -138.663
where: short stacking energy: -61.831
Base-Backbone interact. energy: 0.067
local terms energy: -64.745384
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -16.354
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: 367
Temperature: 1.000000
Total energy: -193.070266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.070266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.070266 (E_RNA)
where:
Base-Base interactions energy: -131.922
where: short stacking energy: -49.246
Base-Backbone interact. energy: -0.483
local terms energy: -60.665159
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -184.527689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.527689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.527689 (E_RNA)
where:
Base-Base interactions energy: -127.323
where: short stacking energy: -47.548
Base-Backbone interact. energy: 0.703
local terms energy: -57.907351
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -8.385
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -161.141688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.141688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.141688 (E_RNA)
where:
Base-Base interactions energy: -101.550
where: short stacking energy: -47.849
Base-Backbone interact. energy: 0.624
local terms energy: -60.215990
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -90.584345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.584345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.584345 (E_RNA)
where:
Base-Base interactions energy: -41.911
where: short stacking energy: -35.771
Base-Backbone interact. energy: -0.024
local terms energy: -48.649571
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -5.527
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -5.881
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: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -88.898741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.898741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.898741 (E_RNA)
where:
Base-Base interactions energy: -37.600
where: short stacking energy: -25.463
Base-Backbone interact. energy: -0.262
local terms energy: -51.036602
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: 1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -96.197146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.197146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.197146 (E_RNA)
where:
Base-Base interactions energy: -42.953
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.013
local terms energy: -53.231978
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -83.491782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.491782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.491782 (E_RNA)
where:
Base-Base interactions energy: -32.793
where: short stacking energy: -14.521
Base-Backbone interact. energy: -0.071
local terms energy: -50.627826
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: 1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -72.782656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.782656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.782656 (E_RNA)
where:
Base-Base interactions energy: -23.128
where: short stacking energy: -20.931
Base-Backbone interact. energy: 0.787
local terms energy: -50.441576
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: 3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -192.664779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.664779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.664779 (E_RNA)
where:
Base-Base interactions energy: -126.812
where: short stacking energy: -55.526
Base-Backbone interact. energy: -0.006
local terms energy: -65.847562
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -195.488520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.488520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.488520 (E_RNA)
where:
Base-Base interactions energy: -127.074
where: short stacking energy: -49.756
Base-Backbone interact. energy: -0.388
local terms energy: -68.025959
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -10.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -187.517950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.517950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.517950 (E_RNA)
where:
Base-Base interactions energy: -124.147
where: short stacking energy: -58.285
Base-Backbone interact. energy: 0.186
local terms energy: -63.556617
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -192.559092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.559092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.559092 (E_RNA)
where:
Base-Base interactions energy: -127.355
where: short stacking energy: -54.547
Base-Backbone interact. energy: -0.019
local terms energy: -65.184676
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -12.792
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: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -152.885158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.885158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.885158 (E_RNA)
where:
Base-Base interactions energy: -92.792
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.186
local terms energy: -59.906471
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -113.801151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.801151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.801151 (E_RNA)
where:
Base-Base interactions energy: -59.376
where: short stacking energy: -37.647
Base-Backbone interact. energy: -0.356
local terms energy: -54.069048
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -86.877675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.877675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.877675 (E_RNA)
where:
Base-Base interactions energy: -29.320
where: short stacking energy: -16.589
Base-Backbone interact. energy: 0.208
local terms energy: -57.765494
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -80.366863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.366863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.366863 (E_RNA)
where:
Base-Base interactions energy: -30.345
where: short stacking energy: -23.047
Base-Backbone interact. energy: -0.180
local terms energy: -49.842017
where:
bonds (distance) C4'-P energy: -9.600
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -75.318371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.318371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.318371 (E_RNA)
where:
Base-Base interactions energy: -27.625
where: short stacking energy: -27.784
Base-Backbone interact. energy: -0.116
local terms energy: -47.577377
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -8.749
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: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -75.520798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.520798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.520798 (E_RNA)
where:
Base-Base interactions energy: -36.091
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.069
local terms energy: -39.360622
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -6.963
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -193.524834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.524834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.524834 (E_RNA)
where:
Base-Base interactions energy: -120.544
where: short stacking energy: -57.472
Base-Backbone interact. energy: -0.529
local terms energy: -72.452217
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -193.878105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.878105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.878105 (E_RNA)
where:
Base-Base interactions energy: -119.282
where: short stacking energy: -64.059
Base-Backbone interact. energy: -0.002
local terms energy: -74.593527
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -20.289
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: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -200.676621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.676621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.676621 (E_RNA)
where:
Base-Base interactions energy: -130.142
where: short stacking energy: -59.009
Base-Backbone interact. energy: -0.033
local terms energy: -70.501883
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -12.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -185.669259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.669259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.669259 (E_RNA)
where:
Base-Base interactions energy: -127.718
where: short stacking energy: -51.076
Base-Backbone interact. energy: -0.457
local terms energy: -57.494857
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -157.927360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.927360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.927360 (E_RNA)
where:
Base-Base interactions energy: -100.868
where: short stacking energy: -49.954
Base-Backbone interact. energy: -0.153
local terms energy: -56.906127
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -103.034377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.034377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.034377 (E_RNA)
where:
Base-Base interactions energy: -54.450
where: short stacking energy: -45.183
Base-Backbone interact. energy: -0.359
local terms energy: -48.225921
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -6.714
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -6.694
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: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -95.641960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.641960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.641960 (E_RNA)
where:
Base-Base interactions energy: -39.885
where: short stacking energy: -33.446
Base-Backbone interact. energy: -0.152
local terms energy: -55.604438
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -85.519333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.519333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.519333 (E_RNA)
where:
Base-Base interactions energy: -33.428
where: short stacking energy: -19.679
Base-Backbone interact. energy: -0.399
local terms energy: -51.691890
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.216
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: 9, replica: 2
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -80.171057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.171057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.171057 (E_RNA)
where:
Base-Base interactions energy: -35.660
where: short stacking energy: -23.905
Base-Backbone interact. energy: -0.089
local terms energy: -44.422106
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -79.823346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.823346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.823346 (E_RNA)
where:
Base-Base interactions energy: -28.509
where: short stacking energy: -23.477
Base-Backbone interact. energy: 1.240
local terms energy: -52.554337
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -7.976
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: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -205.608023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.608023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.608023 (E_RNA)
where:
Base-Base interactions energy: -140.277
where: short stacking energy: -62.145
Base-Backbone interact. energy: -0.067
local terms energy: -65.264373
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -182.760658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.760658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.760658 (E_RNA)
where:
Base-Base interactions energy: -110.886
where: short stacking energy: -50.754
Base-Backbone interact. energy: -0.086
local terms energy: -71.788432
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -12.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -180.952290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.952290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.952290 (E_RNA)
where:
Base-Base interactions energy: -118.467
where: short stacking energy: -48.566
Base-Backbone interact. energy: -0.939
local terms energy: -61.546068
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -185.883777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.883777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.883777 (E_RNA)
where:
Base-Base interactions energy: -127.936
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.044
local terms energy: -57.904201
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -9.874
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: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -160.298178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.298178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.298178 (E_RNA)
where:
Base-Base interactions energy: -100.671
where: short stacking energy: -49.605
Base-Backbone interact. energy: -0.055
local terms energy: -59.572209
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -9.878
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: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -93.773613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.773613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.773613 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -31.716
Base-Backbone interact. energy: -0.132
local terms energy: -57.108573
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -6.398
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: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -98.026962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.026962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.026962 (E_RNA)
where:
Base-Base interactions energy: -52.221
where: short stacking energy: -29.042
Base-Backbone interact. energy: 3.026
local terms energy: -48.831567
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -78.300669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.300669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.300669 (E_RNA)
where:
Base-Base interactions energy: -27.076
where: short stacking energy: -26.592
Base-Backbone interact. energy: 0.512
local terms energy: -51.736107
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: 1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -84.368118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.368118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.368118 (E_RNA)
where:
Base-Base interactions energy: -38.488
where: short stacking energy: -34.381
Base-Backbone interact. energy: -0.460
local terms energy: -45.420157
where:
bonds (distance) C4'-P energy: -6.200
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -3.322
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -96.140565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.140565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.140565 (E_RNA)
where:
Base-Base interactions energy: -42.732
where: short stacking energy: -36.991
Base-Backbone interact. energy: -0.270
local terms energy: -53.138885
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -215.750505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.750505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.750505 (E_RNA)
where:
Base-Base interactions energy: -147.137
where: short stacking energy: -59.519
Base-Backbone interact. energy: -0.097
local terms energy: -68.515761
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -15.947
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: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -195.776539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.776539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.776539 (E_RNA)
where:
Base-Base interactions energy: -130.982
where: short stacking energy: -50.562
Base-Backbone interact. energy: -0.550
local terms energy: -64.245435
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -10.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -196.883262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.883262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.883262 (E_RNA)
where:
Base-Base interactions energy: -128.223
where: short stacking energy: -54.799
Base-Backbone interact. energy: -0.624
local terms energy: -68.036520
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -14.385
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: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -172.704280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.704280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.704280 (E_RNA)
where:
Base-Base interactions energy: -111.088
where: short stacking energy: -49.247
Base-Backbone interact. energy: 0.291
local terms energy: -61.907000
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -178.359777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.359777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.359777 (E_RNA)
where:
Base-Base interactions energy: -110.966
where: short stacking energy: -54.249
Base-Backbone interact. energy: 0.753
local terms energy: -68.146266
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -99.607844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.607844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.607844 (E_RNA)
where:
Base-Base interactions energy: -43.393
where: short stacking energy: -43.393
Base-Backbone interact. energy: -0.079
local terms energy: -56.136054
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -94.097716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.097716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.097716 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -23.752
Base-Backbone interact. energy: -0.847
local terms energy: -56.013979
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -11.025
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: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -78.813137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.813137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.813137 (E_RNA)
where:
Base-Base interactions energy: -31.637
where: short stacking energy: -20.794
Base-Backbone interact. energy: -0.361
local terms energy: -46.814759
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: 3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -92.045442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.045442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.045442 (E_RNA)
where:
Base-Base interactions energy: -30.340
where: short stacking energy: -30.340
Base-Backbone interact. energy: -0.259
local terms energy: -61.446757
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -89.480494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.480494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.480494 (E_RNA)
where:
Base-Base interactions energy: -33.104
where: short stacking energy: -30.095
Base-Backbone interact. energy: -0.469
local terms energy: -55.907330
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -9.126
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: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -207.781783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.781783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.781783 (E_RNA)
where:
Base-Base interactions energy: -131.727
where: short stacking energy: -56.442
Base-Backbone interact. energy: -0.178
local terms energy: -75.877278
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -199.841818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.841818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.841818 (E_RNA)
where:
Base-Base interactions energy: -133.743
where: short stacking energy: -64.160
Base-Backbone interact. energy: -0.198
local terms energy: -65.900295
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -9.883
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: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -160.257577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.257577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.257577 (E_RNA)
where:
Base-Base interactions energy: -97.809
where: short stacking energy: -48.354
Base-Backbone interact. energy: -0.275
local terms energy: -62.173472
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.575
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: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -159.854761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.854761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.854761 (E_RNA)
where:
Base-Base interactions energy: -101.277
where: short stacking energy: -50.665
Base-Backbone interact. energy: -0.848
local terms energy: -57.729837
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -160.824875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.824875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.824875 (E_RNA)
where:
Base-Base interactions energy: -106.278
where: short stacking energy: -55.586
Base-Backbone interact. energy: -0.012
local terms energy: -54.535138
where:
bonds (distance) C4'-P energy: -6.898
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -5.264
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: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -102.286477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.286477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.286477 (E_RNA)
where:
Base-Base interactions energy: -45.877
where: short stacking energy: -45.877
Base-Backbone interact. energy: -0.206
local terms energy: -56.203672
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.038
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: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -129.102984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.102984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.102984 (E_RNA)
where:
Base-Base interactions energy: -79.636
where: short stacking energy: -40.628
Base-Backbone interact. energy: 0.105
local terms energy: -49.571501
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -104.576134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.576134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.576134 (E_RNA)
where:
Base-Base interactions energy: -52.898
where: short stacking energy: -24.790
Base-Backbone interact. energy: -2.009
local terms energy: -49.668868
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -87.311397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.311397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.311397 (E_RNA)
where:
Base-Base interactions energy: -36.449
where: short stacking energy: -37.349
Base-Backbone interact. energy: -0.106
local terms energy: -50.755844
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -9.467
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: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -103.289028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.289028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.289028 (E_RNA)
where:
Base-Base interactions energy: -55.812
where: short stacking energy: -32.535
Base-Backbone interact. energy: 0.290
local terms energy: -47.767130
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -9.685
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: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -206.025005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.025005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.025005 (E_RNA)
where:
Base-Base interactions energy: -136.055
where: short stacking energy: -57.668
Base-Backbone interact. energy: -0.323
local terms energy: -69.646988
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -198.916189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.916189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.916189 (E_RNA)
where:
Base-Base interactions energy: -131.948
where: short stacking energy: -55.904
Base-Backbone interact. energy: 1.029
local terms energy: -67.997365
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -195.496688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.496688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.496688 (E_RNA)
where:
Base-Base interactions energy: -133.081
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.620
local terms energy: -61.795676
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -12.526
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: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -177.236596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.236596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.236596 (E_RNA)
where:
Base-Base interactions energy: -113.177
where: short stacking energy: -57.285
Base-Backbone interact. energy: -0.252
local terms energy: -63.807450
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -181.876653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.876653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.876653 (E_RNA)
where:
Base-Base interactions energy: -121.941
where: short stacking energy: -51.298
Base-Backbone interact. energy: -0.633
local terms energy: -59.303329
where:
bonds (distance) C4'-P energy: -7.469
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -163.598851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.598851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.598851 (E_RNA)
where:
Base-Base interactions energy: -96.049
where: short stacking energy: -56.478
Base-Backbone interact. energy: -1.078
local terms energy: -66.471371
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -91.282774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.282774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.282774 (E_RNA)
where:
Base-Base interactions energy: -37.907
where: short stacking energy: -25.941
Base-Backbone interact. energy: 0.601
local terms energy: -53.975842
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -11.961
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: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -80.878726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.878726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.878726 (E_RNA)
where:
Base-Base interactions energy: -25.493
where: short stacking energy: -19.423
Base-Backbone interact. energy: -0.580
local terms energy: -54.805267
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -81.982132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.982132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.982132 (E_RNA)
where:
Base-Base interactions energy: -32.501
where: short stacking energy: -30.529
Base-Backbone interact. energy: -0.136
local terms energy: -49.344907
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.207
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: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -87.316381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.316381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.316381 (E_RNA)
where:
Base-Base interactions energy: -29.764
where: short stacking energy: -29.764
Base-Backbone interact. energy: -0.043
local terms energy: -57.510223
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -8.188
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: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -195.163778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.163778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.163778 (E_RNA)
where:
Base-Base interactions energy: -130.229
where: short stacking energy: -62.308
Base-Backbone interact. energy: -0.127
local terms energy: -64.807644
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -11.670
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: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -203.245599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.245599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.245599 (E_RNA)
where:
Base-Base interactions energy: -131.179
where: short stacking energy: -71.511
Base-Backbone interact. energy: -0.027
local terms energy: -72.039587
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -8.171
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: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -195.383694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.383694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.383694 (E_RNA)
where:
Base-Base interactions energy: -126.376
where: short stacking energy: -54.767
Base-Backbone interact. energy: -0.011
local terms energy: -68.996884
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -171.314891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.314891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.314891 (E_RNA)
where:
Base-Base interactions energy: -107.640
where: short stacking energy: -55.071
Base-Backbone interact. energy: -0.143
local terms energy: -63.532199
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -8.266
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: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -177.300618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.300618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.300618 (E_RNA)
where:
Base-Base interactions energy: -120.793
where: short stacking energy: -58.211
Base-Backbone interact. energy: -0.577
local terms energy: -55.930176
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -13.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -150.379898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.379898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.379898 (E_RNA)
where:
Base-Base interactions energy: -87.272
where: short stacking energy: -40.619
Base-Backbone interact. energy: -0.315
local terms energy: -62.792264
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -11.897
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: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -91.859646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.859646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.859646 (E_RNA)
where:
Base-Base interactions energy: -43.996
where: short stacking energy: -42.445
Base-Backbone interact. energy: -0.111
local terms energy: -47.751801
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -8.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -94.461894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.461894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.461894 (E_RNA)
where:
Base-Base interactions energy: -36.380
where: short stacking energy: -35.481
Base-Backbone interact. energy: -0.187
local terms energy: -57.894374
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -9.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -72.195132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.195132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.195132 (E_RNA)
where:
Base-Base interactions energy: -25.542
where: short stacking energy: -25.542
Base-Backbone interact. energy: -0.016
local terms energy: -46.636455
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -6.442
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: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -76.834901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.834901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.834901 (E_RNA)
where:
Base-Base interactions energy: -33.425
where: short stacking energy: -32.639
Base-Backbone interact. energy: -0.030
local terms energy: -43.379986
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: 2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -204.144176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.144176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.144176 (E_RNA)
where:
Base-Base interactions energy: -129.039
where: short stacking energy: -50.290
Base-Backbone interact. energy: -0.637
local terms energy: -74.467966
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -12.603
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: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -188.941908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.941908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.941908 (E_RNA)
where:
Base-Base interactions energy: -123.961
where: short stacking energy: -55.426
Base-Backbone interact. energy: -0.025
local terms energy: -64.955452
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -183.272593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.272593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.272593 (E_RNA)
where:
Base-Base interactions energy: -116.458
where: short stacking energy: -60.881
Base-Backbone interact. energy: 0.373
local terms energy: -67.186673
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.746
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: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -171.974361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.974361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.974361 (E_RNA)
where:
Base-Base interactions energy: -100.754
where: short stacking energy: -57.376
Base-Backbone interact. energy: -0.005
local terms energy: -71.215315
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -11.011
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: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -159.190065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.190065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.190065 (E_RNA)
where:
Base-Base interactions energy: -97.842
where: short stacking energy: -43.635
Base-Backbone interact. energy: 2.008
local terms energy: -63.356228
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -152.769054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.769054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.769054 (E_RNA)
where:
Base-Base interactions energy: -95.893
where: short stacking energy: -40.879
Base-Backbone interact. energy: 0.578
local terms energy: -57.454167
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -8.594
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -89.039831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.039831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.039831 (E_RNA)
where:
Base-Base interactions energy: -35.368
where: short stacking energy: -35.368
Base-Backbone interact. energy: -0.604
local terms energy: -53.067906
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: 1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -120.734593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.734593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.734593 (E_RNA)
where:
Base-Base interactions energy: -71.608
where: short stacking energy: -38.370
Base-Backbone interact. energy: -0.145
local terms energy: -48.981799
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -10.417
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -6.293
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: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -87.983054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.983054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.983054 (E_RNA)
where:
Base-Base interactions energy: -39.354
where: short stacking energy: -30.045
Base-Backbone interact. energy: -0.020
local terms energy: -48.609840
where:
bonds (distance) C4'-P energy: -3.160
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -77.513867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.513867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.513867 (E_RNA)
where:
Base-Base interactions energy: -31.795
where: short stacking energy: -26.680
Base-Backbone interact. energy: -0.442
local terms energy: -45.276700
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: 2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -195.756869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.756869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.756869 (E_RNA)
where:
Base-Base interactions energy: -129.228
where: short stacking energy: -58.673
Base-Backbone interact. energy: -0.029
local terms energy: -66.500367
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -196.654149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.654149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.654149 (E_RNA)
where:
Base-Base interactions energy: -135.246
where: short stacking energy: -66.725
Base-Backbone interact. energy: -0.011
local terms energy: -61.397676
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -193.768055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.768055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.768055 (E_RNA)
where:
Base-Base interactions energy: -126.666
where: short stacking energy: -55.563
Base-Backbone interact. energy: -1.551
local terms energy: -65.550393
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -11.155
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: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -166.123159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.123159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.123159 (E_RNA)
where:
Base-Base interactions energy: -100.833
where: short stacking energy: -63.253
Base-Backbone interact. energy: -0.143
local terms energy: -65.147465
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -150.177287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.177287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.177287 (E_RNA)
where:
Base-Base interactions energy: -86.505
where: short stacking energy: -37.142
Base-Backbone interact. energy: -0.080
local terms energy: -63.592287
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.086
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: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -152.011146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.011146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.011146 (E_RNA)
where:
Base-Base interactions energy: -91.030
where: short stacking energy: -45.936
Base-Backbone interact. energy: -0.004
local terms energy: -60.977649
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -97.741057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.741057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.741057 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -35.562
Base-Backbone interact. energy: -0.606
local terms energy: -58.632852
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -83.077513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.077513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.077513 (E_RNA)
where:
Base-Base interactions energy: -37.825
where: short stacking energy: -24.170
Base-Backbone interact. energy: -0.053
local terms energy: -45.199266
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: 2.430
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: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -79.377636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.377636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.377636 (E_RNA)
where:
Base-Base interactions energy: -34.796
where: short stacking energy: -31.445
Base-Backbone interact. energy: 2.270
local terms energy: -46.851994
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -81.407463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.407463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.407463 (E_RNA)
where:
Base-Base interactions energy: -31.727
where: short stacking energy: -19.170
Base-Backbone interact. energy: 0.802
local terms energy: -50.481980
where:
bonds (distance) C4'-P energy: -7.233
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -203.083559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.083559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.083559 (E_RNA)
where:
Base-Base interactions energy: -134.908
where: short stacking energy: -48.855
Base-Backbone interact. energy: 0.053
local terms energy: -68.229005
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -213.868051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.868051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.868051 (E_RNA)
where:
Base-Base interactions energy: -138.850
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.037
local terms energy: -74.980466
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -16.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -177.503449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.503449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.503449 (E_RNA)
where:
Base-Base interactions energy: -108.649
where: short stacking energy: -53.773
Base-Backbone interact. energy: -0.056
local terms energy: -68.798935
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -14.918
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: 377
Temperature: 1.050000
Total energy: -162.455605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.455605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.455605 (E_RNA)
where:
Base-Base interactions energy: -110.353
where: short stacking energy: -42.466
Base-Backbone interact. energy: -0.015
local terms energy: -52.087863
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -168.978604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.978604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.978604 (E_RNA)
where:
Base-Base interactions energy: -102.548
where: short stacking energy: -49.219
Base-Backbone interact. energy: -0.065
local terms energy: -66.365478
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -11.354
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: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -163.222264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.222264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.222264 (E_RNA)
where:
Base-Base interactions energy: -97.480
where: short stacking energy: -56.968
Base-Backbone interact. energy: -1.055
local terms energy: -64.687474
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -11.721
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: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -107.894981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.894981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.894981 (E_RNA)
where:
Base-Base interactions energy: -46.992
where: short stacking energy: -46.417
Base-Backbone interact. energy: -0.027
local terms energy: -60.875769
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -100.171016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.171016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.171016 (E_RNA)
where:
Base-Base interactions energy: -41.122
where: short stacking energy: -41.122
Base-Backbone interact. energy: -0.004
local terms energy: -59.044758
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -89.114601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.114601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.114601 (E_RNA)
where:
Base-Base interactions energy: -33.045
where: short stacking energy: -29.808
Base-Backbone interact. energy: -0.049
local terms energy: -56.021138
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -85.006338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.006338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.006338 (E_RNA)
where:
Base-Base interactions energy: -33.228
where: short stacking energy: -24.465
Base-Backbone interact. energy: -0.364
local terms energy: -51.413728
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -197.411598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.411598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.411598 (E_RNA)
where:
Base-Base interactions energy: -127.815
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.141
local terms energy: -69.456319
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -199.874829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.874829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.874829 (E_RNA)
where:
Base-Base interactions energy: -136.166
where: short stacking energy: -51.381
Base-Backbone interact. energy: 0.271
local terms energy: -63.980073
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -10.561
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: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -180.599832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.599832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.599832 (E_RNA)
where:
Base-Base interactions energy: -116.342
where: short stacking energy: -51.587
Base-Backbone interact. energy: -0.033
local terms energy: -64.224762
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -192.191633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.191633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.191633 (E_RNA)
where:
Base-Base interactions energy: -111.796
where: short stacking energy: -64.517
Base-Backbone interact. energy: -0.227
local terms energy: -80.168171
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -171.830059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.830059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.830059 (E_RNA)
where:
Base-Base interactions energy: -107.275
where: short stacking energy: -43.577
Base-Backbone interact. energy: 0.075
local terms energy: -64.629538
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -153.772706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.772706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.772706 (E_RNA)
where:
Base-Base interactions energy: -101.092
where: short stacking energy: -38.973
Base-Backbone interact. energy: -0.072
local terms energy: -52.608219
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -84.588282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.588282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.588282 (E_RNA)
where:
Base-Base interactions energy: -24.629
where: short stacking energy: -22.739
Base-Backbone interact. energy: -0.012
local terms energy: -59.946459
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -88.708720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.708720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.708720 (E_RNA)
where:
Base-Base interactions energy: -30.061
where: short stacking energy: -26.861
Base-Backbone interact. energy: -0.165
local terms energy: -58.481966
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -73.382311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.382311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.382311 (E_RNA)
where:
Base-Base interactions energy: -21.114
where: short stacking energy: -21.114
Base-Backbone interact. energy: -0.209
local terms energy: -52.058680
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: 0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -80.628771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.628771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.628771 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -30.784
Base-Backbone interact. energy: 0.886
local terms energy: -50.730931
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -8.839
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: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -204.919694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.919694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.919694 (E_RNA)
where:
Base-Base interactions energy: -135.908
where: short stacking energy: -57.633
Base-Backbone interact. energy: -0.094
local terms energy: -68.917739
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -198.316881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.316881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.316881 (E_RNA)
where:
Base-Base interactions energy: -127.393
where: short stacking energy: -50.869
Base-Backbone interact. energy: -0.083
local terms energy: -70.840261
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -10.819
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: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -181.806316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.806316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.806316 (E_RNA)
where:
Base-Base interactions energy: -107.477
where: short stacking energy: -52.651
Base-Backbone interact. energy: -0.001
local terms energy: -74.328945
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -185.021547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.021547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.021547 (E_RNA)
where:
Base-Base interactions energy: -109.244
where: short stacking energy: -67.549
Base-Backbone interact. energy: -0.787
local terms energy: -74.990837
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -175.748543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.748543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.748543 (E_RNA)
where:
Base-Base interactions energy: -107.512
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.578
local terms energy: -67.658618
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -8.825
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: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -155.340078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.340078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.340078 (E_RNA)
where:
Base-Base interactions energy: -89.033
where: short stacking energy: -49.903
Base-Backbone interact. energy: -0.092
local terms energy: -66.214915
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -91.740253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.740253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.740253 (E_RNA)
where:
Base-Base interactions energy: -32.027
where: short stacking energy: -25.740
Base-Backbone interact. energy: -0.355
local terms energy: -59.357992
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -108.904288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.904288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.904288 (E_RNA)
where:
Base-Base interactions energy: -50.114
where: short stacking energy: -46.543
Base-Backbone interact. energy: -0.654
local terms energy: -58.136307
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -81.376150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.376150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.376150 (E_RNA)
where:
Base-Base interactions energy: -29.477
where: short stacking energy: -29.125
Base-Backbone interact. energy: -0.248
local terms energy: -51.651372
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -3.129
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: 379
Temperature: 1.350000
Total energy: -77.400065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.400065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.400065 (E_RNA)
where:
Base-Base interactions energy: -32.346
where: short stacking energy: -22.163
Base-Backbone interact. energy: 1.739
local terms energy: -46.793751
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -9.407
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: 0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -203.918457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.918457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.918457 (E_RNA)
where:
Base-Base interactions energy: -133.469
where: short stacking energy: -49.032
Base-Backbone interact. energy: -0.321
local terms energy: -70.128715
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -196.873768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.873768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.873768 (E_RNA)
where:
Base-Base interactions energy: -134.902
where: short stacking energy: -55.563
Base-Backbone interact. energy: -0.184
local terms energy: -61.787175
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -193.437304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.437304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.437304 (E_RNA)
where:
Base-Base interactions energy: -125.984
where: short stacking energy: -58.766
Base-Backbone interact. energy: -0.009
local terms energy: -67.443731
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -174.195481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.195481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.195481 (E_RNA)
where:
Base-Base interactions energy: -110.964
where: short stacking energy: -46.787
Base-Backbone interact. energy: -0.310
local terms energy: -62.921771
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -203.326548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.326548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.326548 (E_RNA)
where:
Base-Base interactions energy: -135.806
where: short stacking energy: -58.084
Base-Backbone interact. energy: -0.064
local terms energy: -67.456628
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -15.516
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: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -160.130517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.130517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.130517 (E_RNA)
where:
Base-Base interactions energy: -100.145
where: short stacking energy: -36.136
Base-Backbone interact. energy: 0.216
local terms energy: -60.201409
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -10.209
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: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -94.539922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.539922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.539922 (E_RNA)
where:
Base-Base interactions energy: -46.926
where: short stacking energy: -35.525
Base-Backbone interact. energy: -0.094
local terms energy: -47.519551
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: 2.553
tors. eta vs tors. theta energy: -8.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -84.734150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.734150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.734150 (E_RNA)
where:
Base-Base interactions energy: -37.486
where: short stacking energy: -28.546
Base-Backbone interact. energy: 0.021
local terms energy: -47.268495
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -5.738
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: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -74.483942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.483942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.483942 (E_RNA)
where:
Base-Base interactions energy: -28.237
where: short stacking energy: -24.627
Base-Backbone interact. energy: 0.793
local terms energy: -47.039968
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -72.831905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.831905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.831905 (E_RNA)
where:
Base-Base interactions energy: -22.603
where: short stacking energy: -22.094
Base-Backbone interact. energy: -0.630
local terms energy: -49.598813
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: 1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -206.290055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.290055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.290055 (E_RNA)
where:
Base-Base interactions energy: -151.318
where: short stacking energy: -55.669
Base-Backbone interact. energy: -0.136
local terms energy: -54.836495
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -5.508
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: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -197.329196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.329196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.329196 (E_RNA)
where:
Base-Base interactions energy: -131.852
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.101
local terms energy: -65.376697
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -199.559125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.559125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.559125 (E_RNA)
where:
Base-Base interactions energy: -134.901
where: short stacking energy: -51.903
Base-Backbone interact. energy: -0.372
local terms energy: -64.285895
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -9.482
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: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -169.050641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.050641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.050641 (E_RNA)
where:
Base-Base interactions energy: -109.008
where: short stacking energy: -54.864
Base-Backbone interact. energy: -0.028
local terms energy: -60.015163
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -163.411966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.411966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.411966 (E_RNA)
where:
Base-Base interactions energy: -96.978
where: short stacking energy: -60.674
Base-Backbone interact. energy: -0.082
local terms energy: -66.352785
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -8.730
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: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -162.375130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.375130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.375130 (E_RNA)
where:
Base-Base interactions energy: -103.652
where: short stacking energy: -45.258
Base-Backbone interact. energy: -0.307
local terms energy: -58.415407
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -6.745
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: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -92.867902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.867902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.867902 (E_RNA)
where:
Base-Base interactions energy: -46.514
where: short stacking energy: -40.490
Base-Backbone interact. energy: -0.344
local terms energy: -46.010039
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -83.425629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.425629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.425629 (E_RNA)
where:
Base-Base interactions energy: -36.664
where: short stacking energy: -33.239
Base-Backbone interact. energy: -0.168
local terms energy: -46.593922
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -3.045
tors. eta vs tors. theta energy: -6.469
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: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -77.535072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.535072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.535072 (E_RNA)
where:
Base-Base interactions energy: -26.689
where: short stacking energy: -20.850
Base-Backbone interact. energy: -0.541
local terms energy: -50.305155
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -7.515
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: 381
Temperature: 1.350000
Total energy: -94.019548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.019548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.019548 (E_RNA)
where:
Base-Base interactions energy: -48.498
where: short stacking energy: -38.923
Base-Backbone interact. energy: -0.043
local terms energy: -45.478610
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -211.423757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.423757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.423757 (E_RNA)
where:
Base-Base interactions energy: -142.581
where: short stacking energy: -64.001
Base-Backbone interact. energy: -0.020
local terms energy: -68.823192
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -208.243270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.243270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.243270 (E_RNA)
where:
Base-Base interactions energy: -137.469
where: short stacking energy: -63.570
Base-Backbone interact. energy: -0.012
local terms energy: -70.762491
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -191.702193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.702193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.702193 (E_RNA)
where:
Base-Base interactions energy: -121.609
where: short stacking energy: -54.548
Base-Backbone interact. energy: -0.309
local terms energy: -69.784708
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -15.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -167.335386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.335386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.335386 (E_RNA)
where:
Base-Base interactions energy: -108.014
where: short stacking energy: -45.887
Base-Backbone interact. energy: -0.120
local terms energy: -59.201171
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -174.731588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.731588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.731588 (E_RNA)
where:
Base-Base interactions energy: -111.623
where: short stacking energy: -49.761
Base-Backbone interact. energy: -0.015
local terms energy: -63.093411
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -157.849134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.849134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.849134 (E_RNA)
where:
Base-Base interactions energy: -91.209
where: short stacking energy: -48.929
Base-Backbone interact. energy: -0.051
local terms energy: -66.588723
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -99.205363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.205363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.205363 (E_RNA)
where:
Base-Base interactions energy: -44.046
where: short stacking energy: -41.387
Base-Backbone interact. energy: -0.110
local terms energy: -55.048876
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -9.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -107.362600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.362600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.362600 (E_RNA)
where:
Base-Base interactions energy: -46.306
where: short stacking energy: -42.226
Base-Backbone interact. energy: 0.254
local terms energy: -61.310385
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -14.593
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: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -98.670396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.670396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.670396 (E_RNA)
where:
Base-Base interactions energy: -44.964
where: short stacking energy: -43.496
Base-Backbone interact. energy: -0.292
local terms energy: -53.413547
where:
bonds (distance) C4'-P energy: -5.157
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -10.903
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: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -87.044834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.044834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.044834 (E_RNA)
where:
Base-Base interactions energy: -27.732
where: short stacking energy: -27.367
Base-Backbone interact. energy: -0.366
local terms energy: -58.946972
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -6.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -211.605205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.605205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.605205 (E_RNA)
where:
Base-Base interactions energy: -145.285
where: short stacking energy: -63.225
Base-Backbone interact. energy: 0.304
local terms energy: -66.624390
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -201.119237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.119237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.119237 (E_RNA)
where:
Base-Base interactions energy: -127.251
where: short stacking energy: -56.166
Base-Backbone interact. energy: -0.091
local terms energy: -73.776710
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -187.236387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.236387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.236387 (E_RNA)
where:
Base-Base interactions energy: -121.834
where: short stacking energy: -58.173
Base-Backbone interact. energy: -1.007
local terms energy: -64.395485
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -12.071
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: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -156.746935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.746935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.746935 (E_RNA)
where:
Base-Base interactions energy: -97.734
where: short stacking energy: -51.582
Base-Backbone interact. energy: -0.283
local terms energy: -58.730108
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -154.617215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.617215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.617215 (E_RNA)
where:
Base-Base interactions energy: -97.696
where: short stacking energy: -52.427
Base-Backbone interact. energy: 1.266
local terms energy: -58.187203
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -163.087337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.087337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.087337 (E_RNA)
where:
Base-Base interactions energy: -109.647
where: short stacking energy: -41.277
Base-Backbone interact. energy: -0.138
local terms energy: -53.302556
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -101.043873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.043873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.043873 (E_RNA)
where:
Base-Base interactions energy: -50.995
where: short stacking energy: -50.995
Base-Backbone interact. energy: 1.555
local terms energy: -51.604467
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -83.145597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.145597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.145597 (E_RNA)
where:
Base-Base interactions energy: -32.423
where: short stacking energy: -32.423
Base-Backbone interact. energy: -0.334
local terms energy: -50.388610
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -91.277230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.277230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.277230 (E_RNA)
where:
Base-Base interactions energy: -36.394
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.019
local terms energy: -54.864589
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -11.136
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -75.784493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.784493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.784493 (E_RNA)
where:
Base-Base interactions energy: -26.587
where: short stacking energy: -26.587
Base-Backbone interact. energy: -0.073
local terms energy: -49.124658
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -195.195599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.195599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.195599 (E_RNA)
where:
Base-Base interactions energy: -124.585
where: short stacking energy: -51.474
Base-Backbone interact. energy: -0.610
local terms energy: -70.000963
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -16.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -201.165473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.165473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.165473 (E_RNA)
where:
Base-Base interactions energy: -131.117
where: short stacking energy: -62.233
Base-Backbone interact. energy: -0.007
local terms energy: -70.041691
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -174.007544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.007544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.007544 (E_RNA)
where:
Base-Base interactions energy: -104.813
where: short stacking energy: -58.109
Base-Backbone interact. energy: -0.257
local terms energy: -68.937270
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -9.185
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: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -188.408549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.408549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.408549 (E_RNA)
where:
Base-Base interactions energy: -122.412
where: short stacking energy: -55.813
Base-Backbone interact. energy: -0.790
local terms energy: -65.206218
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -179.393875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.393875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.393875 (E_RNA)
where:
Base-Base interactions energy: -115.168
where: short stacking energy: -53.742
Base-Backbone interact. energy: -0.025
local terms energy: -64.201047
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -14.428
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: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -146.573861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.573861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.573861 (E_RNA)
where:
Base-Base interactions energy: -91.528
where: short stacking energy: -36.712
Base-Backbone interact. energy: -0.929
local terms energy: -54.116704
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -6.747
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: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -98.790827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.790827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.790827 (E_RNA)
where:
Base-Base interactions energy: -29.715
where: short stacking energy: -29.715
Base-Backbone interact. energy: -0.033
local terms energy: -69.042507
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -81.490079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.490079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.490079 (E_RNA)
where:
Base-Base interactions energy: -22.605
where: short stacking energy: -22.109
Base-Backbone interact. energy: -0.885
local terms energy: -57.999825
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -76.708197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.708197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.708197 (E_RNA)
where:
Base-Base interactions energy: -26.526
where: short stacking energy: -26.526
Base-Backbone interact. energy: -0.224
local terms energy: -49.957902
where:
bonds (distance) C4'-P energy: -7.483
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -8.360
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: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -87.166207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.166207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.166207 (E_RNA)
where:
Base-Base interactions energy: -37.236
where: short stacking energy: -26.050
Base-Backbone interact. energy: -0.118
local terms energy: -49.812768
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -8.162
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -203.001454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.001454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.001454 (E_RNA)
where:
Base-Base interactions energy: -131.101
where: short stacking energy: -51.059
Base-Backbone interact. energy: -0.461
local terms energy: -71.439211
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -203.934291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.934291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.934291 (E_RNA)
where:
Base-Base interactions energy: -135.624
where: short stacking energy: -50.607
Base-Backbone interact. energy: -0.201
local terms energy: -68.108978
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -175.551756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.551756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.551756 (E_RNA)
where:
Base-Base interactions energy: -103.555
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.266
local terms energy: -71.730112
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -11.195
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: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -190.191195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.191195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.191195 (E_RNA)
where:
Base-Base interactions energy: -124.954
where: short stacking energy: -52.374
Base-Backbone interact. energy: -0.569
local terms energy: -64.668322
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -9.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -156.820780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.820780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.820780 (E_RNA)
where:
Base-Base interactions energy: -97.228
where: short stacking energy: -53.796
Base-Backbone interact. energy: 2.505
local terms energy: -62.098108
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -158.405089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.405089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.405089 (E_RNA)
where:
Base-Base interactions energy: -102.433
where: short stacking energy: -46.489
Base-Backbone interact. energy: -1.119
local terms energy: -54.853146
where:
bonds (distance) C4'-P energy: -7.882
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -10.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -90.040089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.040089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.040089 (E_RNA)
where:
Base-Base interactions energy: -40.855
where: short stacking energy: -33.444
Base-Backbone interact. energy: -0.354
local terms energy: -48.830762
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -87.040214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.040214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.040214 (E_RNA)
where:
Base-Base interactions energy: -28.456
where: short stacking energy: -24.420
Base-Backbone interact. energy: -0.157
local terms energy: -58.427744
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -75.226485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.226485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.226485 (E_RNA)
where:
Base-Base interactions energy: -27.894
where: short stacking energy: -18.636
Base-Backbone interact. energy: -0.196
local terms energy: -47.137004
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -11.203
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: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -72.529130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.529130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.529130 (E_RNA)
where:
Base-Base interactions energy: -27.397
where: short stacking energy: -27.397
Base-Backbone interact. energy: -0.386
local terms energy: -44.746151
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -209.571064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.571064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.571064 (E_RNA)
where:
Base-Base interactions energy: -136.679
where: short stacking energy: -57.892
Base-Backbone interact. energy: 0.517
local terms energy: -73.408684
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -13.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -193.596092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.596092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.596092 (E_RNA)
where:
Base-Base interactions energy: -121.968
where: short stacking energy: -51.905
Base-Backbone interact. energy: -0.128
local terms energy: -71.500301
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -158.072197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.072197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.072197 (E_RNA)
where:
Base-Base interactions energy: -106.402
where: short stacking energy: -41.113
Base-Backbone interact. energy: 0.226
local terms energy: -51.896278
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -182.354974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.354974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.354974 (E_RNA)
where:
Base-Base interactions energy: -111.958
where: short stacking energy: -65.748
Base-Backbone interact. energy: -0.040
local terms energy: -70.357101
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -18.209
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: 386
Temperature: 1.100000
Total energy: -162.383642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.383642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.383642 (E_RNA)
where:
Base-Base interactions energy: -101.506
where: short stacking energy: -47.379
Base-Backbone interact. energy: 0.129
local terms energy: -61.006443
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -166.809824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.809824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.809824 (E_RNA)
where:
Base-Base interactions energy: -105.870
where: short stacking energy: -53.013
Base-Backbone interact. energy: -0.199
local terms energy: -60.740313
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -10.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -84.203497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.203497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.203497 (E_RNA)
where:
Base-Base interactions energy: -29.220
where: short stacking energy: -29.220
Base-Backbone interact. energy: -0.129
local terms energy: -54.854033
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -80.324061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.324061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.324061 (E_RNA)
where:
Base-Base interactions energy: -34.698
where: short stacking energy: -22.113
Base-Backbone interact. energy: -0.335
local terms energy: -45.290397
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -8.628
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: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -78.924960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.924960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.924960 (E_RNA)
where:
Base-Base interactions energy: -27.409
where: short stacking energy: -21.854
Base-Backbone interact. energy: -0.302
local terms energy: -51.214054
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -74.511552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.511552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.511552 (E_RNA)
where:
Base-Base interactions energy: -25.411
where: short stacking energy: -25.201
Base-Backbone interact. energy: -0.296
local terms energy: -48.805138
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -0.092
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: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -198.795227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.795227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.795227 (E_RNA)
where:
Base-Base interactions energy: -134.323
where: short stacking energy: -54.577
Base-Backbone interact. energy: -0.350
local terms energy: -64.122123
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -11.708
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: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -181.858884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.858884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.858884 (E_RNA)
where:
Base-Base interactions energy: -122.987
where: short stacking energy: -52.626
Base-Backbone interact. energy: -0.345
local terms energy: -58.527313
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -12.823
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: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -188.376638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.376638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.376638 (E_RNA)
where:
Base-Base interactions energy: -121.331
where: short stacking energy: -59.116
Base-Backbone interact. energy: 0.334
local terms energy: -67.379572
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -14.423
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: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -178.145290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.145290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.145290 (E_RNA)
where:
Base-Base interactions energy: -103.284
where: short stacking energy: -54.781
Base-Backbone interact. energy: -0.000
local terms energy: -74.861310
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -17.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -163.885477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.885477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.885477 (E_RNA)
where:
Base-Base interactions energy: -99.086
where: short stacking energy: -49.940
Base-Backbone interact. energy: -0.112
local terms energy: -64.687387
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -11.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -157.677872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.677872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.677872 (E_RNA)
where:
Base-Base interactions energy: -95.942
where: short stacking energy: -45.503
Base-Backbone interact. energy: -0.146
local terms energy: -61.589982
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -8.163
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: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -94.787544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.787544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.787544 (E_RNA)
where:
Base-Base interactions energy: -35.486
where: short stacking energy: -32.706
Base-Backbone interact. energy: -0.097
local terms energy: -59.204289
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -82.635887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.635887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.635887 (E_RNA)
where:
Base-Base interactions energy: -30.787
where: short stacking energy: -30.787
Base-Backbone interact. energy: -0.043
local terms energy: -51.806115
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -102.976689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.976689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.976689 (E_RNA)
where:
Base-Base interactions energy: -46.602
where: short stacking energy: -30.521
Base-Backbone interact. energy: -0.042
local terms energy: -56.333484
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -10.772
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: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -78.989905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.989905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.989905 (E_RNA)
where:
Base-Base interactions energy: -24.600
where: short stacking energy: -24.600
Base-Backbone interact. energy: -0.035
local terms energy: -54.355604
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -186.657509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.657509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.657509 (E_RNA)
where:
Base-Base interactions energy: -109.403
where: short stacking energy: -62.526
Base-Backbone interact. energy: -0.182
local terms energy: -77.072254
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -200.480508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.480508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.480508 (E_RNA)
where:
Base-Base interactions energy: -126.858
where: short stacking energy: -63.401
Base-Backbone interact. energy: -0.290
local terms energy: -73.332010
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -190.225040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.225040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.225040 (E_RNA)
where:
Base-Base interactions energy: -108.947
where: short stacking energy: -60.688
Base-Backbone interact. energy: -0.608
local terms energy: -80.670042
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -21.565
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: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -177.467162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.467162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.467162 (E_RNA)
where:
Base-Base interactions energy: -118.378
where: short stacking energy: -61.732
Base-Backbone interact. energy: -0.527
local terms energy: -58.562954
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -12.269
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: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -168.736790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.736790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.736790 (E_RNA)
where:
Base-Base interactions energy: -102.827
where: short stacking energy: -53.435
Base-Backbone interact. energy: -0.143
local terms energy: -65.766974
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -13.025
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: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -129.116055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.116055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.116055 (E_RNA)
where:
Base-Base interactions energy: -74.713
where: short stacking energy: -34.813
Base-Backbone interact. energy: -0.141
local terms energy: -54.261600
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -91.089297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.089297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.089297 (E_RNA)
where:
Base-Base interactions energy: -38.363
where: short stacking energy: -26.080
Base-Backbone interact. energy: -0.255
local terms energy: -52.471554
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -83.570605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.570605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.570605 (E_RNA)
where:
Base-Base interactions energy: -42.335
where: short stacking energy: -30.386
Base-Backbone interact. energy: -1.529
local terms energy: -39.706008
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -77.992486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.992486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.992486 (E_RNA)
where:
Base-Base interactions energy: -32.584
where: short stacking energy: -23.740
Base-Backbone interact. energy: -0.173
local terms energy: -45.235787
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -85.409592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.409592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.409592 (E_RNA)
where:
Base-Base interactions energy: -34.104
where: short stacking energy: -28.289
Base-Backbone interact. energy: -0.011
local terms energy: -51.294815
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -6.399
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: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -204.379674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.379674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.379674 (E_RNA)
where:
Base-Base interactions energy: -131.314
where: short stacking energy: -61.423
Base-Backbone interact. energy: -0.102
local terms energy: -72.963880
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -192.501352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.501352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.501352 (E_RNA)
where:
Base-Base interactions energy: -121.091
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.014
local terms energy: -71.396618
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -12.617
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: 3, replica: 10
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -185.470932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.470932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.470932 (E_RNA)
where:
Base-Base interactions energy: -124.130
where: short stacking energy: -64.487
Base-Backbone interact. energy: -0.017
local terms energy: -61.323887
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -181.853320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.853320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.853320 (E_RNA)
where:
Base-Base interactions energy: -121.875
where: short stacking energy: -54.204
Base-Backbone interact. energy: -0.104
local terms energy: -59.874466
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -10.299
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: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -159.640959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.640959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.640959 (E_RNA)
where:
Base-Base interactions energy: -96.205
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.254
local terms energy: -63.181972
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -94.837067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.837067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.837067 (E_RNA)
where:
Base-Base interactions energy: -34.591
where: short stacking energy: -34.249
Base-Backbone interact. energy: -0.187
local terms energy: -60.059267
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -8.568
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: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -101.421451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.421451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.421451 (E_RNA)
where:
Base-Base interactions energy: -49.517
where: short stacking energy: -36.874
Base-Backbone interact. energy: -0.189
local terms energy: -51.716141
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -7.968
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: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -86.482360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.482360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.482360 (E_RNA)
where:
Base-Base interactions energy: -48.068
where: short stacking energy: -46.148
Base-Backbone interact. energy: -0.109
local terms energy: -38.305053
where:
bonds (distance) C4'-P energy: -8.358
bonds (distance) P-C4' energy: -7.659
flat angles C4'-P-C4' energy: -8.723
flat angles P-C4'-P energy: -8.991
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: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -85.788954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.788954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.788954 (E_RNA)
where:
Base-Base interactions energy: -32.559
where: short stacking energy: -29.247
Base-Backbone interact. energy: 1.245
local terms energy: -54.475308
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -84.383794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.383794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.383794 (E_RNA)
where:
Base-Base interactions energy: -42.818
where: short stacking energy: -22.853
Base-Backbone interact. energy: -1.134
local terms energy: -40.432344
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -3.781
tors. eta vs tors. theta energy: 2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -201.697175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.697175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.697175 (E_RNA)
where:
Base-Base interactions energy: -131.809
where: short stacking energy: -71.278
Base-Backbone interact. energy: -0.008
local terms energy: -69.879632
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -209.785245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.785245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.785245 (E_RNA)
where:
Base-Base interactions energy: -143.594
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.004
local terms energy: -66.187836
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -183.813162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.813162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.813162 (E_RNA)
where:
Base-Base interactions energy: -114.400
where: short stacking energy: -54.361
Base-Backbone interact. energy: -0.582
local terms energy: -68.831348
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -192.050309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.050309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.050309 (E_RNA)
where:
Base-Base interactions energy: -121.061
where: short stacking energy: -51.948
Base-Backbone interact. energy: -0.013
local terms energy: -70.976734
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -152.161997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.161997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.161997 (E_RNA)
where:
Base-Base interactions energy: -89.810
where: short stacking energy: -53.299
Base-Backbone interact. energy: -0.866
local terms energy: -61.486185
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -96.246017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.246017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.246017 (E_RNA)
where:
Base-Base interactions energy: -48.401
where: short stacking energy: -26.852
Base-Backbone interact. energy: -0.294
local terms energy: -47.551562
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -2.646
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -92.494117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.494117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.494117 (E_RNA)
where:
Base-Base interactions energy: -45.419
where: short stacking energy: -42.702
Base-Backbone interact. energy: -0.088
local terms energy: -46.987371
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -91.540856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.540856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.540856 (E_RNA)
where:
Base-Base interactions energy: -42.081
where: short stacking energy: -32.855
Base-Backbone interact. energy: -0.015
local terms energy: -49.444945
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -2.367
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: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -81.655725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.655725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.655725 (E_RNA)
where:
Base-Base interactions energy: -37.107
where: short stacking energy: -28.023
Base-Backbone interact. energy: -0.412
local terms energy: -44.136798
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -77.451234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.451234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.451234 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -22.925
Base-Backbone interact. energy: -0.465
local terms energy: -47.106327
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -8.455
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: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -211.306895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.306895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.306895 (E_RNA)
where:
Base-Base interactions energy: -142.314
where: short stacking energy: -62.769
Base-Backbone interact. energy: -0.007
local terms energy: -68.985106
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -198.483945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.483945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.483945 (E_RNA)
where:
Base-Base interactions energy: -128.846
where: short stacking energy: -69.824
Base-Backbone interact. energy: -0.034
local terms energy: -69.603919
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -18.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -181.083553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.083553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.083553 (E_RNA)
where:
Base-Base interactions energy: -112.809
where: short stacking energy: -60.475
Base-Backbone interact. energy: -0.919
local terms energy: -67.355379
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -183.162908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.162908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.162908 (E_RNA)
where:
Base-Base interactions energy: -111.454
where: short stacking energy: -61.028
Base-Backbone interact. energy: -2.289
local terms energy: -69.419842
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -6.105
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: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -168.163306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.163306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.163306 (E_RNA)
where:
Base-Base interactions energy: -107.927
where: short stacking energy: -59.717
Base-Backbone interact. energy: 0.203
local terms energy: -60.439504
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -125.955479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.955479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.955479 (E_RNA)
where:
Base-Base interactions energy: -74.884
where: short stacking energy: -40.391
Base-Backbone interact. energy: -0.161
local terms energy: -50.910729
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -5.800
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: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -95.224640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.224640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.224640 (E_RNA)
where:
Base-Base interactions energy: -38.680
where: short stacking energy: -32.851
Base-Backbone interact. energy: -0.175
local terms energy: -56.369856
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -97.829570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.829570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.829570 (E_RNA)
where:
Base-Base interactions energy: -42.970
where: short stacking energy: -37.477
Base-Backbone interact. energy: 0.049
local terms energy: -54.907905
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -6.787
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: 391
Temperature: 1.300000
Total energy: -79.916365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.916365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.916365 (E_RNA)
where:
Base-Base interactions energy: -30.781
where: short stacking energy: -28.295
Base-Backbone interact. energy: -0.242
local terms energy: -48.893142
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: 0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -82.522728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.522728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.522728 (E_RNA)
where:
Base-Base interactions energy: -35.384
where: short stacking energy: -27.582
Base-Backbone interact. energy: -0.032
local terms energy: -47.106584
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -2.250
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -201.119038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.119038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.119038 (E_RNA)
where:
Base-Base interactions energy: -132.575
where: short stacking energy: -57.613
Base-Backbone interact. energy: -0.063
local terms energy: -68.481140
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -205.283457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.283457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.283457 (E_RNA)
where:
Base-Base interactions energy: -134.380
where: short stacking energy: -62.853
Base-Backbone interact. energy: -0.011
local terms energy: -70.892849
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -14.738
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: 392
Temperature: 1.000000
Total energy: -179.629914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.629914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.629914 (E_RNA)
where:
Base-Base interactions energy: -105.944
where: short stacking energy: -60.468
Base-Backbone interact. energy: -0.132
local terms energy: -73.554389
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -16.282
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: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -173.365189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.365189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.365189 (E_RNA)
where:
Base-Base interactions energy: -114.712
where: short stacking energy: -44.399
Base-Backbone interact. energy: -0.068
local terms energy: -58.585160
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -2.443
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -154.333097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.333097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.333097 (E_RNA)
where:
Base-Base interactions energy: -102.702
where: short stacking energy: -33.326
Base-Backbone interact. energy: -0.063
local terms energy: -51.568095
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -140.686929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.686929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.686929 (E_RNA)
where:
Base-Base interactions energy: -81.030
where: short stacking energy: -44.596
Base-Backbone interact. energy: -0.149
local terms energy: -59.508445
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -10.814
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: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -85.217070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.217070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.217070 (E_RNA)
where:
Base-Base interactions energy: -33.929
where: short stacking energy: -28.997
Base-Backbone interact. energy: -0.108
local terms energy: -51.180840
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -80.945608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.945608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.945608 (E_RNA)
where:
Base-Base interactions energy: -34.549
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.205
local terms energy: -46.190758
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -87.066692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.066692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.066692 (E_RNA)
where:
Base-Base interactions energy: -33.449
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.121
local terms energy: -53.497328
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -79.116839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.116839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.116839 (E_RNA)
where:
Base-Base interactions energy: -27.872
where: short stacking energy: -20.976
Base-Backbone interact. energy: -0.243
local terms energy: -51.001364
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -196.909809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.909809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.909809 (E_RNA)
where:
Base-Base interactions energy: -121.307
where: short stacking energy: -57.836
Base-Backbone interact. energy: -0.249
local terms energy: -75.354197
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -11.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -199.992985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.992985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.992985 (E_RNA)
where:
Base-Base interactions energy: -138.293
where: short stacking energy: -60.036
Base-Backbone interact. energy: -0.504
local terms energy: -61.195988
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -13.066
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: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -180.599614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.599614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.599614 (E_RNA)
where:
Base-Base interactions energy: -107.829
where: short stacking energy: -57.022
Base-Backbone interact. energy: -0.004
local terms energy: -72.766258
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -13.243
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: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -178.606752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.606752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.606752 (E_RNA)
where:
Base-Base interactions energy: -116.634
where: short stacking energy: -49.909
Base-Backbone interact. energy: -1.141
local terms energy: -60.831809
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -7.509
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -11.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -159.408950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.408950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.408950 (E_RNA)
where:
Base-Base interactions energy: -100.457
where: short stacking energy: -47.603
Base-Backbone interact. energy: -0.092
local terms energy: -58.859765
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -9.650
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: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -140.484682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.484682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.484682 (E_RNA)
where:
Base-Base interactions energy: -77.951
where: short stacking energy: -40.788
Base-Backbone interact. energy: 0.294
local terms energy: -62.827753
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -7.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -103.029713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.029713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.029713 (E_RNA)
where:
Base-Base interactions energy: -50.594
where: short stacking energy: -37.106
Base-Backbone interact. energy: 1.260
local terms energy: -53.695332
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -7.757
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: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -89.035623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.035623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.035623 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -32.920
Base-Backbone interact. energy: -0.071
local terms energy: -56.044903
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -82.363488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.363488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.363488 (E_RNA)
where:
Base-Base interactions energy: -37.211
where: short stacking energy: -26.536
Base-Backbone interact. energy: -0.830
local terms energy: -44.322248
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -76.456463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.456463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.456463 (E_RNA)
where:
Base-Base interactions energy: -25.115
where: short stacking energy: -23.279
Base-Backbone interact. energy: -0.052
local terms energy: -51.289809
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.346
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: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -194.875192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.875192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.875192 (E_RNA)
where:
Base-Base interactions energy: -125.470
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.036
local terms energy: -69.369257
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -14.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -196.426969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.426969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.426969 (E_RNA)
where:
Base-Base interactions energy: -122.123
where: short stacking energy: -58.971
Base-Backbone interact. energy: -0.107
local terms energy: -74.197187
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -184.877137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.877137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.877137 (E_RNA)
where:
Base-Base interactions energy: -123.319
where: short stacking energy: -52.454
Base-Backbone interact. energy: -0.318
local terms energy: -61.239926
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -6.173
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: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -175.077812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.077812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.077812 (E_RNA)
where:
Base-Base interactions energy: -111.891
where: short stacking energy: -52.002
Base-Backbone interact. energy: -0.098
local terms energy: -63.088706
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -11.410
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: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -157.523237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.523237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.523237 (E_RNA)
where:
Base-Base interactions energy: -88.883
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.332
local terms energy: -68.307450
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -149.584455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.584455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.584455 (E_RNA)
where:
Base-Base interactions energy: -88.295
where: short stacking energy: -41.551
Base-Backbone interact. energy: 0.904
local terms energy: -62.193924
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -101.080002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.080002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.080002 (E_RNA)
where:
Base-Base interactions energy: -45.295
where: short stacking energy: -45.286
Base-Backbone interact. energy: -0.535
local terms energy: -55.249770
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -98.562022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.562022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.562022 (E_RNA)
where:
Base-Base interactions energy: -37.127
where: short stacking energy: -36.942
Base-Backbone interact. energy: -0.222
local terms energy: -61.213032
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -81.723899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.723899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.723899 (E_RNA)
where:
Base-Base interactions energy: -37.091
where: short stacking energy: -29.142
Base-Backbone interact. energy: -0.648
local terms energy: -43.984631
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -70.190309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.190309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.190309 (E_RNA)
where:
Base-Base interactions energy: -25.830
where: short stacking energy: -25.830
Base-Backbone interact. energy: -0.052
local terms energy: -44.308679
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: 1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -205.687699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.687699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.687699 (E_RNA)
where:
Base-Base interactions energy: -132.835
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.756
local terms energy: -72.097090
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -196.854127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.854127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.854127 (E_RNA)
where:
Base-Base interactions energy: -131.141
where: short stacking energy: -61.857
Base-Backbone interact. energy: -0.069
local terms energy: -65.643550
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -8.124
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: 3, replica: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -193.640197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.640197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.640197 (E_RNA)
where:
Base-Base interactions energy: -122.754
where: short stacking energy: -55.149
Base-Backbone interact. energy: -0.035
local terms energy: -70.851072
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -165.927614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.927614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.927614 (E_RNA)
where:
Base-Base interactions energy: -99.766
where: short stacking energy: -49.396
Base-Backbone interact. energy: -0.018
local terms energy: -66.143269
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -6.458
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: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -174.753816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.753816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.753816 (E_RNA)
where:
Base-Base interactions energy: -116.722
where: short stacking energy: -52.525
Base-Backbone interact. energy: 0.106
local terms energy: -58.137822
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -8.905
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: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -93.338358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.338358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.338358 (E_RNA)
where:
Base-Base interactions energy: -34.267
where: short stacking energy: -34.267
Base-Backbone interact. energy: -0.639
local terms energy: -58.432625
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -145.712917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.712917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.712917 (E_RNA)
where:
Base-Base interactions energy: -87.646
where: short stacking energy: -57.774
Base-Backbone interact. energy: -0.080
local terms energy: -57.986920
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -6.378
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -13.272
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: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -92.773223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.773223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.773223 (E_RNA)
where:
Base-Base interactions energy: -40.053
where: short stacking energy: -26.980
Base-Backbone interact. energy: -0.196
local terms energy: -52.523578
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -89.916449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.916449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.916449 (E_RNA)
where:
Base-Base interactions energy: -36.306
where: short stacking energy: -30.253
Base-Backbone interact. energy: -0.330
local terms energy: -53.281040
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -78.952754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.952754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.952754 (E_RNA)
where:
Base-Base interactions energy: -23.861
where: short stacking energy: -19.628
Base-Backbone interact. energy: -0.302
local terms energy: -54.789168
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -206.195022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.195022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.195022 (E_RNA)
where:
Base-Base interactions energy: -126.746
where: short stacking energy: -68.558
Base-Backbone interact. energy: -0.005
local terms energy: -79.444493
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -17.200
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: 396
Temperature: 0.950000
Total energy: -196.553502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.553502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.553502 (E_RNA)
where:
Base-Base interactions energy: -120.824
where: short stacking energy: -54.155
Base-Backbone interact. energy: -0.018
local terms energy: -75.711549
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -191.635111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.635111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.635111 (E_RNA)
where:
Base-Base interactions energy: -126.005
where: short stacking energy: -56.736
Base-Backbone interact. energy: -0.162
local terms energy: -65.468197
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -160.809285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.809285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.809285 (E_RNA)
where:
Base-Base interactions energy: -95.751
where: short stacking energy: -59.280
Base-Backbone interact. energy: -1.686
local terms energy: -63.372272
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -11.966
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: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -197.532204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.532204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.532204 (E_RNA)
where:
Base-Base interactions energy: -132.141
where: short stacking energy: -52.705
Base-Backbone interact. energy: -1.203
local terms energy: -64.188390
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -14.992
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: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -85.954491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.954491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.954491 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -29.510
Base-Backbone interact. energy: -0.178
local terms energy: -50.898897
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -8.700
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: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -142.853763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.853763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.853763 (E_RNA)
where:
Base-Base interactions energy: -85.464
where: short stacking energy: -36.943
Base-Backbone interact. energy: -0.751
local terms energy: -56.638294
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -6.106
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -90.863445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.863445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.863445 (E_RNA)
where:
Base-Base interactions energy: -43.527
where: short stacking energy: -26.067
Base-Backbone interact. energy: -0.126
local terms energy: -47.209883
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -8.152
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -97.085029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.085029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.085029 (E_RNA)
where:
Base-Base interactions energy: -40.027
where: short stacking energy: -38.874
Base-Backbone interact. energy: -0.094
local terms energy: -56.964002
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -1.041
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -86.572696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.572696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.572696 (E_RNA)
where:
Base-Base interactions energy: -38.374
where: short stacking energy: -29.009
Base-Backbone interact. energy: -0.374
local terms energy: -47.824429
where:
bonds (distance) C4'-P energy: -7.495
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -196.776986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.776986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.776986 (E_RNA)
where:
Base-Base interactions energy: -132.704
where: short stacking energy: -59.621
Base-Backbone interact. energy: 1.861
local terms energy: -65.933629
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -205.424060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.424060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.424060 (E_RNA)
where:
Base-Base interactions energy: -137.936
where: short stacking energy: -57.634
Base-Backbone interact. energy: -0.490
local terms energy: -66.998252
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -199.597597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.597597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.597597 (E_RNA)
where:
Base-Base interactions energy: -120.572
where: short stacking energy: -69.383
Base-Backbone interact. energy: -0.058
local terms energy: -78.967342
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -21.302
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: 397
Temperature: 1.050000
Total energy: -203.227148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.227148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.227148 (E_RNA)
where:
Base-Base interactions energy: -138.291
where: short stacking energy: -65.775
Base-Backbone interact. energy: 0.257
local terms energy: -65.193544
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -170.008632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.008632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.008632 (E_RNA)
where:
Base-Base interactions energy: -98.482
where: short stacking energy: -58.937
Base-Backbone interact. energy: -0.300
local terms energy: -71.226426
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -129.434179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.434179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.434179 (E_RNA)
where:
Base-Base interactions energy: -81.621
where: short stacking energy: -40.841
Base-Backbone interact. energy: -0.061
local terms energy: -47.752030
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: 4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -99.544306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.544306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.544306 (E_RNA)
where:
Base-Base interactions energy: -49.053
where: short stacking energy: -31.399
Base-Backbone interact. energy: -0.199
local terms energy: -50.292371
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -93.813792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.813792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.813792 (E_RNA)
where:
Base-Base interactions energy: -42.573
where: short stacking energy: -39.804
Base-Backbone interact. energy: -0.063
local terms energy: -51.177346
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -8.844
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -8.275
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: 9, replica: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -82.016720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.016720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.016720 (E_RNA)
where:
Base-Base interactions energy: -35.871
where: short stacking energy: -31.725
Base-Backbone interact. energy: -0.159
local terms energy: -45.986762
where:
bonds (distance) C4'-P energy: -8.105
bonds (distance) P-C4' energy: -9.906
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -76.067054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.067054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.067054 (E_RNA)
where:
Base-Base interactions energy: -31.867
where: short stacking energy: -22.904
Base-Backbone interact. energy: -0.306
local terms energy: -43.893393
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -5.624
flat angles P-C4'-P energy: -7.688
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: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -208.188422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.188422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.188422 (E_RNA)
where:
Base-Base interactions energy: -128.735
where: short stacking energy: -57.891
Base-Backbone interact. energy: -0.600
local terms energy: -78.853594
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -195.218161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.218161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.218161 (E_RNA)
where:
Base-Base interactions energy: -124.751
where: short stacking energy: -59.417
Base-Backbone interact. energy: -0.264
local terms energy: -70.203548
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -183.021056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.021056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.021056 (E_RNA)
where:
Base-Base interactions energy: -130.056
where: short stacking energy: -49.839
Base-Backbone interact. energy: -0.144
local terms energy: -52.820772
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -5.677
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: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -200.074618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.074618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.074618 (E_RNA)
where:
Base-Base interactions energy: -121.516
where: short stacking energy: -68.556
Base-Backbone interact. energy: -1.162
local terms energy: -77.396650
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -168.797820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.797820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.797820 (E_RNA)
where:
Base-Base interactions energy: -100.596
where: short stacking energy: -62.537
Base-Backbone interact. energy: -0.593
local terms energy: -67.609051
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -150.574808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.574808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.574808 (E_RNA)
where:
Base-Base interactions energy: -87.857
where: short stacking energy: -51.678
Base-Backbone interact. energy: -0.043
local terms energy: -62.675558
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -103.645419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.645419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.645419 (E_RNA)
where:
Base-Base interactions energy: -52.697
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.282
local terms energy: -50.666767
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -3.260
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: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -94.382180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.382180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.382180 (E_RNA)
where:
Base-Base interactions energy: -36.937
where: short stacking energy: -36.937
Base-Backbone interact. energy: 0.982
local terms energy: -58.427481
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -88.007150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.007150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.007150 (E_RNA)
where:
Base-Base interactions energy: -36.395
where: short stacking energy: -36.395
Base-Backbone interact. energy: 0.821
local terms energy: -52.432746
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -11.959
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: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -77.989896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.989896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.989896 (E_RNA)
where:
Base-Base interactions energy: -24.936
where: short stacking energy: -19.535
Base-Backbone interact. energy: -1.130
local terms energy: -51.923677
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -0.552
tors. eta vs tors. theta energy: -7.934
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: 399
Temperature: 0.900000
Total energy: -203.964759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.964759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.964759 (E_RNA)
where:
Base-Base interactions energy: -127.266
where: short stacking energy: -61.273
Base-Backbone interact. energy: -0.106
local terms energy: -76.592750
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -18.517
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: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -197.118797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.118797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.118797 (E_RNA)
where:
Base-Base interactions energy: -130.399
where: short stacking energy: -67.388
Base-Backbone interact. energy: -0.035
local terms energy: -66.684517
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -187.124547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.124547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.124547 (E_RNA)
where:
Base-Base interactions energy: -122.876
where: short stacking energy: -47.580
Base-Backbone interact. energy: -0.720
local terms energy: -63.528654
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -164.957922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.957922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.957922 (E_RNA)
where:
Base-Base interactions energy: -91.827
where: short stacking energy: -50.492
Base-Backbone interact. energy: -0.092
local terms energy: -73.039288
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -160.363285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.363285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.363285 (E_RNA)
where:
Base-Base interactions energy: -98.465
where: short stacking energy: -50.379
Base-Backbone interact. energy: -0.378
local terms energy: -61.520275
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -11.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -159.099847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.099847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.099847 (E_RNA)
where:
Base-Base interactions energy: -95.554
where: short stacking energy: -40.356
Base-Backbone interact. energy: -0.785
local terms energy: -62.760657
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -95.858182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.858182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.858182 (E_RNA)
where:
Base-Base interactions energy: -47.983
where: short stacking energy: -32.696
Base-Backbone interact. energy: 0.808
local terms energy: -48.683746
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -83.280325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280325 (E_RNA)
where:
Base-Base interactions energy: -28.193
where: short stacking energy: -28.193
Base-Backbone interact. energy: -0.155
local terms energy: -54.932786
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -95.097875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.097875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.097875 (E_RNA)
where:
Base-Base interactions energy: -54.709
where: short stacking energy: -32.680
Base-Backbone interact. energy: -1.887
local terms energy: -38.501919
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -0.553
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -76.637447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.637447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.637447 (E_RNA)
where:
Base-Base interactions energy: -28.593
where: short stacking energy: -28.593
Base-Backbone interact. energy: 0.060
local terms energy: -48.104712
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -8.431
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: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -207.813898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.813898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.813898 (E_RNA)
where:
Base-Base interactions energy: -129.169
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.021
local terms energy: -78.623756
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -197.129966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.129966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.129966 (E_RNA)
where:
Base-Base interactions energy: -129.885
where: short stacking energy: -50.552
Base-Backbone interact. energy: -0.060
local terms energy: -67.185004
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -11.832
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: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -165.342740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.342740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.342740 (E_RNA)
where:
Base-Base interactions energy: -99.698
where: short stacking energy: -47.016
Base-Backbone interact. energy: -0.022
local terms energy: -65.622311
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -10.673
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: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -165.056575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.056575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.056575 (E_RNA)
where:
Base-Base interactions energy: -99.717
where: short stacking energy: -47.456
Base-Backbone interact. energy: -0.104
local terms energy: -65.235444
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -12.182
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: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -152.962428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.962428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.962428 (E_RNA)
where:
Base-Base interactions energy: -97.225
where: short stacking energy: -54.280
Base-Backbone interact. energy: -0.069
local terms energy: -55.668353
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -165.988515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.988515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.988515 (E_RNA)
where:
Base-Base interactions energy: -98.172
where: short stacking energy: -53.651
Base-Backbone interact. energy: -0.131
local terms energy: -67.685929
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -99.410275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.410275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.410275 (E_RNA)
where:
Base-Base interactions energy: -47.357
where: short stacking energy: -30.885
Base-Backbone interact. energy: -0.251
local terms energy: -51.802104
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -9.038
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: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -98.117116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.117116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.117116 (E_RNA)
where:
Base-Base interactions energy: -45.875
where: short stacking energy: -41.154
Base-Backbone interact. energy: -0.199
local terms energy: -52.043289
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -5.758
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -5.435
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: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -84.173305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.173305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.173305 (E_RNA)
where:
Base-Base interactions energy: -37.789
where: short stacking energy: -37.504
Base-Backbone interact. energy: -0.007
local terms energy: -46.377046
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -2.143
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -74.505446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.505446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.505446 (E_RNA)
where:
Base-Base interactions energy: -35.207
where: short stacking energy: -28.994
Base-Backbone interact. energy: -0.053
local terms energy: -39.244763
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -8.426
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -202.602452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.602452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.602452 (E_RNA)
where:
Base-Base interactions energy: -119.632
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.096
local terms energy: -82.874270
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -23.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -174.337254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.337254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.337254 (E_RNA)
where:
Base-Base interactions energy: -106.042
where: short stacking energy: -59.229
Base-Backbone interact. energy: -0.234
local terms energy: -68.061410
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -176.823445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.823445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.823445 (E_RNA)
where:
Base-Base interactions energy: -116.426
where: short stacking energy: -46.336
Base-Backbone interact. energy: -0.711
local terms energy: -59.685946
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -12.295
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: 4, replica: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -176.866454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.866454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.866454 (E_RNA)
where:
Base-Base interactions energy: -106.962
where: short stacking energy: -58.723
Base-Backbone interact. energy: -0.169
local terms energy: -69.735763
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -7.340
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -17.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -179.547459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.547459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.547459 (E_RNA)
where:
Base-Base interactions energy: -116.083
where: short stacking energy: -59.969
Base-Backbone interact. energy: -0.096
local terms energy: -63.367988
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -170.582387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.582387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.582387 (E_RNA)
where:
Base-Base interactions energy: -104.895
where: short stacking energy: -49.381
Base-Backbone interact. energy: -0.064
local terms energy: -65.623210
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -11.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -86.485672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.485672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.485672 (E_RNA)
where:
Base-Base interactions energy: -31.004
where: short stacking energy: -25.702
Base-Backbone interact. energy: -0.122
local terms energy: -55.359186
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -93.216025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.216025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.216025 (E_RNA)
where:
Base-Base interactions energy: -34.968
where: short stacking energy: -26.294
Base-Backbone interact. energy: -0.911
local terms energy: -57.336777
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -99.255553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.255553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.255553 (E_RNA)
where:
Base-Base interactions energy: -40.256
where: short stacking energy: -37.068
Base-Backbone interact. energy: -0.058
local terms energy: -58.940943
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -74.298657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.298657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.298657 (E_RNA)
where:
Base-Base interactions energy: -26.515
where: short stacking energy: -27.115
Base-Backbone interact. energy: -0.114
local terms energy: -47.669985
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -208.674149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.674149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.674149 (E_RNA)
where:
Base-Base interactions energy: -130.239
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.001
local terms energy: -78.433634
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -185.214423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.214423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.214423 (E_RNA)
where:
Base-Base interactions energy: -122.182
where: short stacking energy: -47.295
Base-Backbone interact. energy: -0.100
local terms energy: -62.931614
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -8.774
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: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -191.060065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.060065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.060065 (E_RNA)
where:
Base-Base interactions energy: -120.012
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.008
local terms energy: -71.039800
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -18.602
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: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -173.588270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.588270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.588270 (E_RNA)
where:
Base-Base interactions energy: -110.367
where: short stacking energy: -51.185
Base-Backbone interact. energy: -0.176
local terms energy: -63.045637
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -160.194814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.194814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.194814 (E_RNA)
where:
Base-Base interactions energy: -93.023
where: short stacking energy: -48.545
Base-Backbone interact. energy: -0.144
local terms energy: -67.028021
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -155.034069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.034069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.034069 (E_RNA)
where:
Base-Base interactions energy: -90.453
where: short stacking energy: -46.242
Base-Backbone interact. energy: -0.862
local terms energy: -63.719514
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -87.943830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.943830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.943830 (E_RNA)
where:
Base-Base interactions energy: -35.954
where: short stacking energy: -35.954
Base-Backbone interact. energy: -0.268
local terms energy: -51.722012
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -3.636
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: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -87.754290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.754290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.754290 (E_RNA)
where:
Base-Base interactions energy: -40.109
where: short stacking energy: -40.109
Base-Backbone interact. energy: -0.046
local terms energy: -47.599538
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -8.314
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: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -87.061404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.061404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.061404 (E_RNA)
where:
Base-Base interactions energy: -32.628
where: short stacking energy: -24.900
Base-Backbone interact. energy: -0.199
local terms energy: -54.233942
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -75.332018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.332018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.332018 (E_RNA)
where:
Base-Base interactions energy: -31.748
where: short stacking energy: -31.748
Base-Backbone interact. energy: 0.645
local terms energy: -44.228571
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -205.783088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.783088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.783088 (E_RNA)
where:
Base-Base interactions energy: -125.148
where: short stacking energy: -74.033
Base-Backbone interact. energy: -0.000
local terms energy: -80.634836
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -23.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -184.328609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.328609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.328609 (E_RNA)
where:
Base-Base interactions energy: -114.672
where: short stacking energy: -57.140
Base-Backbone interact. energy: -0.009
local terms energy: -69.647480
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -165.091748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.091748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.091748 (E_RNA)
where:
Base-Base interactions energy: -109.896
where: short stacking energy: -41.671
Base-Backbone interact. energy: -0.489
local terms energy: -54.706300
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -159.437056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.437056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.437056 (E_RNA)
where:
Base-Base interactions energy: -98.776
where: short stacking energy: -49.237
Base-Backbone interact. energy: -0.076
local terms energy: -60.585229
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -11.438
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: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -175.593323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.593323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.593323 (E_RNA)
where:
Base-Base interactions energy: -116.184
where: short stacking energy: -53.067
Base-Backbone interact. energy: -0.280
local terms energy: -59.128578
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -178.266274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.266274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.266274 (E_RNA)
where:
Base-Base interactions energy: -109.043
where: short stacking energy: -47.261
Base-Backbone interact. energy: -0.200
local terms energy: -69.023462
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -13.278
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: 7, replica: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -105.274444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.274444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.274444 (E_RNA)
where:
Base-Base interactions energy: -52.517
where: short stacking energy: -29.363
Base-Backbone interact. energy: -0.293
local terms energy: -52.464365
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -84.930039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.930039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.930039 (E_RNA)
where:
Base-Base interactions energy: -31.366
where: short stacking energy: -31.466
Base-Backbone interact. energy: -0.042
local terms energy: -53.522073
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -76.743900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.743900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.743900 (E_RNA)
where:
Base-Base interactions energy: -24.590
where: short stacking energy: -26.177
Base-Backbone interact. energy: -0.290
local terms energy: -51.864347
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -76.110948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.110948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.110948 (E_RNA)
where:
Base-Base interactions energy: -37.866
where: short stacking energy: -34.442
Base-Backbone interact. energy: 5.637
local terms energy: -43.881880
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: 1.789
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -205.242413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.242413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.242413 (E_RNA)
where:
Base-Base interactions energy: -137.622
where: short stacking energy: -71.527
Base-Backbone interact. energy: -0.043
local terms energy: -67.577043
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -168.473326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.473326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.473326 (E_RNA)
where:
Base-Base interactions energy: -107.376
where: short stacking energy: -54.627
Base-Backbone interact. energy: -0.192
local terms energy: -60.905028
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -10.191
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: 3, replica: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -183.767801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.767801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.767801 (E_RNA)
where:
Base-Base interactions energy: -119.157
where: short stacking energy: -62.348
Base-Backbone interact. energy: -0.111
local terms energy: -64.499396
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -158.237879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.237879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.237879 (E_RNA)
where:
Base-Base interactions energy: -95.256
where: short stacking energy: -56.365
Base-Backbone interact. energy: -0.277
local terms energy: -62.704931
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -184.296586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.296586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.296586 (E_RNA)
where:
Base-Base interactions energy: -114.135
where: short stacking energy: -50.152
Base-Backbone interact. energy: -1.336
local terms energy: -68.825399
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -162.631669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.631669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.631669 (E_RNA)
where:
Base-Base interactions energy: -103.709
where: short stacking energy: -51.818
Base-Backbone interact. energy: 1.460
local terms energy: -60.382506
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -12.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -100.597277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.597277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.597277 (E_RNA)
where:
Base-Base interactions energy: -42.988
where: short stacking energy: -39.732
Base-Backbone interact. energy: -0.570
local terms energy: -57.039070
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -12.973
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: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -77.562061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.562061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.562061 (E_RNA)
where:
Base-Base interactions energy: -31.387
where: short stacking energy: -27.128
Base-Backbone interact. energy: -0.004
local terms energy: -46.171119
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -2.981
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -78.948033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.948033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.948033 (E_RNA)
where:
Base-Base interactions energy: -41.118
where: short stacking energy: -36.074
Base-Backbone interact. energy: -0.441
local terms energy: -37.389332
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -8.779
flat angles C4'-P-C4' energy: -3.534
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -78.682580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.682580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.682580 (E_RNA)
where:
Base-Base interactions energy: -30.792
where: short stacking energy: -30.792
Base-Backbone interact. energy: -0.126
local terms energy: -47.764244
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -4.577
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: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -214.219530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.219530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.219530 (E_RNA)
where:
Base-Base interactions energy: -146.306
where: short stacking energy: -74.538
Base-Backbone interact. energy: -0.249
local terms energy: -67.663946
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -197.607733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.607733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.607733 (E_RNA)
where:
Base-Base interactions energy: -129.626
where: short stacking energy: -50.892
Base-Backbone interact. energy: -0.090
local terms energy: -67.891596
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.563
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: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -155.729302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.729302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.729302 (E_RNA)
where:
Base-Base interactions energy: -97.721
where: short stacking energy: -39.067
Base-Backbone interact. energy: -0.066
local terms energy: -57.942891
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -8.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -186.687676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.687676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.687676 (E_RNA)
where:
Base-Base interactions energy: -114.720
where: short stacking energy: -54.250
Base-Backbone interact. energy: -0.321
local terms energy: -71.647095
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -11.042
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: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -181.900611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.900611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.900611 (E_RNA)
where:
Base-Base interactions energy: -115.104
where: short stacking energy: -50.436
Base-Backbone interact. energy: -1.605
local terms energy: -65.192201
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -12.661
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: 405
Temperature: 1.150000
Total energy: -114.106014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.106014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.106014 (E_RNA)
where:
Base-Base interactions energy: -54.604
where: short stacking energy: -44.133
Base-Backbone interact. energy: -0.070
local terms energy: -59.431594
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -9.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -154.207297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.207297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.207297 (E_RNA)
where:
Base-Base interactions energy: -97.137
where: short stacking energy: -49.458
Base-Backbone interact. energy: -0.011
local terms energy: -57.059213
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -5.357
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: 8, replica: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -90.001107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.001107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.001107 (E_RNA)
where:
Base-Base interactions energy: -31.722
where: short stacking energy: -31.722
Base-Backbone interact. energy: -0.065
local terms energy: -58.213848
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -87.955480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.955480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.955480 (E_RNA)
where:
Base-Base interactions energy: -33.920
where: short stacking energy: -33.920
Base-Backbone interact. energy: -0.038
local terms energy: -53.996985
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -79.235200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235200 (E_RNA)
where:
Base-Base interactions energy: -30.908
where: short stacking energy: -30.908
Base-Backbone interact. energy: -0.371
local terms energy: -47.955959
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -3.100
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: 406
Temperature: 0.900000
Total energy: -202.088319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.088319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.088319 (E_RNA)
where:
Base-Base interactions energy: -132.194
where: short stacking energy: -69.824
Base-Backbone interact. energy: -0.069
local terms energy: -69.824980
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -190.891138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.891138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.891138 (E_RNA)
where:
Base-Base interactions energy: -124.676
where: short stacking energy: -49.944
Base-Backbone interact. energy: -0.325
local terms energy: -65.889529
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -190.003190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.003190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.003190 (E_RNA)
where:
Base-Base interactions energy: -126.427
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.292
local terms energy: -63.284767
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -182.366099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.366099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.366099 (E_RNA)
where:
Base-Base interactions energy: -119.893
where: short stacking energy: -40.503
Base-Backbone interact. energy: 3.409
local terms energy: -65.881928
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -10.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -162.647038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.647038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.647038 (E_RNA)
where:
Base-Base interactions energy: -107.133
where: short stacking energy: -47.163
Base-Backbone interact. energy: -0.178
local terms energy: -55.336004
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: -11.089
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: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -84.303121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.303121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.303121 (E_RNA)
where:
Base-Base interactions energy: -33.582
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.100
local terms energy: -50.620548
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -141.461146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.461146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.461146 (E_RNA)
where:
Base-Base interactions energy: -79.912
where: short stacking energy: -41.314
Base-Backbone interact. energy: -0.100
local terms energy: -61.449099
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -10.074
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -83.330856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.330856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.330856 (E_RNA)
where:
Base-Base interactions energy: -30.046
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.354
local terms energy: -52.931616
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -94.353221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.353221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.353221 (E_RNA)
where:
Base-Base interactions energy: -39.690
where: short stacking energy: -38.336
Base-Backbone interact. energy: -0.470
local terms energy: -54.194009
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -74.111925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.111925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.111925 (E_RNA)
where:
Base-Base interactions energy: -29.114
where: short stacking energy: -29.114
Base-Backbone interact. energy: -0.062
local terms energy: -44.935522
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -210.576441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.576441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.576441 (E_RNA)
where:
Base-Base interactions energy: -132.620
where: short stacking energy: -69.405
Base-Backbone interact. energy: -0.290
local terms energy: -77.666262
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -188.382057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.382057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.382057 (E_RNA)
where:
Base-Base interactions energy: -124.950
where: short stacking energy: -55.133
Base-Backbone interact. energy: -0.212
local terms energy: -63.219853
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -194.594030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.594030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.594030 (E_RNA)
where:
Base-Base interactions energy: -128.059
where: short stacking energy: -62.973
Base-Backbone interact. energy: -0.102
local terms energy: -66.432665
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -17.060
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: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -172.432468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.432468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.432468 (E_RNA)
where:
Base-Base interactions energy: -114.697
where: short stacking energy: -44.909
Base-Backbone interact. energy: 0.366
local terms energy: -58.101725
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -150.745805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.745805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.745805 (E_RNA)
where:
Base-Base interactions energy: -88.399
where: short stacking energy: -52.515
Base-Backbone interact. energy: -0.005
local terms energy: -62.341680
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -170.124145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.124145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.124145 (E_RNA)
where:
Base-Base interactions energy: -108.021
where: short stacking energy: -46.297
Base-Backbone interact. energy: -0.160
local terms energy: -61.943463
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -12.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -114.760452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.760452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.760452 (E_RNA)
where:
Base-Base interactions energy: -57.309
where: short stacking energy: -48.419
Base-Backbone interact. energy: -0.086
local terms energy: -57.364854
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -10.554
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: 407
Temperature: 1.250000
Total energy: -79.995186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.995186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.995186 (E_RNA)
where:
Base-Base interactions energy: -31.450
where: short stacking energy: -30.275
Base-Backbone interact. energy: -0.140
local terms energy: -48.405389
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -84.000151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.000151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.000151 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -33.871
Base-Backbone interact. energy: -0.065
local terms energy: -50.467380
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -81.490619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.490619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.490619 (E_RNA)
where:
Base-Base interactions energy: -30.037
where: short stacking energy: -27.584
Base-Backbone interact. energy: -0.106
local terms energy: -51.347767
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -6.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -204.426607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.426607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.426607 (E_RNA)
where:
Base-Base interactions energy: -126.951
where: short stacking energy: -68.479
Base-Backbone interact. energy: 0.091
local terms energy: -77.566863
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -16.932
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: 408
Temperature: 0.950000
Total energy: -203.433415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.433415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.433415 (E_RNA)
where:
Base-Base interactions energy: -131.982
where: short stacking energy: -70.810
Base-Backbone interact. energy: 0.309
local terms energy: -71.760025
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -19.339
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: 408
Temperature: 1.000000
Total energy: -200.844243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.844243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.844243 (E_RNA)
where:
Base-Base interactions energy: -139.939
where: short stacking energy: -45.688
Base-Backbone interact. energy: -0.095
local terms energy: -60.810416
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -9.994
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -188.296038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.296038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.296038 (E_RNA)
where:
Base-Base interactions energy: -119.908
where: short stacking energy: -59.137
Base-Backbone interact. energy: -0.004
local terms energy: -68.384949
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -172.740060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.740060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.740060 (E_RNA)
where:
Base-Base interactions energy: -117.370
where: short stacking energy: -53.501
Base-Backbone interact. energy: -0.048
local terms energy: -55.322282
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -9.652
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: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -142.921801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.921801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.921801 (E_RNA)
where:
Base-Base interactions energy: -85.685
where: short stacking energy: -46.887
Base-Backbone interact. energy: -0.327
local terms energy: -56.909571
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -12.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -87.790018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.790018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.790018 (E_RNA)
where:
Base-Base interactions energy: -31.694
where: short stacking energy: -29.951
Base-Backbone interact. energy: -0.011
local terms energy: -56.085631
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -95.225345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.225345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.225345 (E_RNA)
where:
Base-Base interactions energy: -45.108
where: short stacking energy: -30.698
Base-Backbone interact. energy: -0.115
local terms energy: -50.001739
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -74.625052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.625052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.625052 (E_RNA)
where:
Base-Base interactions energy: -38.391
where: short stacking energy: -25.894
Base-Backbone interact. energy: -0.097
local terms energy: -36.136941
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: 4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -84.325808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.325808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.325808 (E_RNA)
where:
Base-Base interactions energy: -34.323
where: short stacking energy: -30.444
Base-Backbone interact. energy: -0.043
local terms energy: -49.959954
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -2.816
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: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -207.115524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.115524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.115524 (E_RNA)
where:
Base-Base interactions energy: -130.274
where: short stacking energy: -63.647
Base-Backbone interact. energy: -0.358
local terms energy: -76.484050
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -202.783712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.783712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.783712 (E_RNA)
where:
Base-Base interactions energy: -125.414
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.046
local terms energy: -77.324230
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -19.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -204.045234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.045234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.045234 (E_RNA)
where:
Base-Base interactions energy: -138.296
where: short stacking energy: -54.478
Base-Backbone interact. energy: -0.531
local terms energy: -65.218302
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -186.904810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.904810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.904810 (E_RNA)
where:
Base-Base interactions energy: -122.995
where: short stacking energy: -57.689
Base-Backbone interact. energy: -0.121
local terms energy: -63.789200
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -12.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -177.182641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.182641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.182641 (E_RNA)
where:
Base-Base interactions energy: -120.061
where: short stacking energy: -49.045
Base-Backbone interact. energy: -0.426
local terms energy: -56.695673
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -136.099542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.099542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.099542 (E_RNA)
where:
Base-Base interactions energy: -77.864
where: short stacking energy: -52.249
Base-Backbone interact. energy: -0.017
local terms energy: -58.218143
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -11.296
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: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -107.976012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.976012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.976012 (E_RNA)
where:
Base-Base interactions energy: -47.525
where: short stacking energy: -44.872
Base-Backbone interact. energy: -0.002
local terms energy: -60.449276
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -85.655428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.655428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.655428 (E_RNA)
where:
Base-Base interactions energy: -35.350
where: short stacking energy: -33.774
Base-Backbone interact. energy: -0.207
local terms energy: -50.098135
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -5.198
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: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -86.566317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.566317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.566317 (E_RNA)
where:
Base-Base interactions energy: -37.940
where: short stacking energy: -37.607
Base-Backbone interact. energy: -0.050
local terms energy: -48.576825
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -83.794624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.794624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.794624 (E_RNA)
where:
Base-Base interactions energy: -29.899
where: short stacking energy: -29.899
Base-Backbone interact. energy: -0.158
local terms energy: -53.737383
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -6.274
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: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -212.354193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.354193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.354193 (E_RNA)
where:
Base-Base interactions energy: -137.610
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.032
local terms energy: -74.712687
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -193.641668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.641668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.641668 (E_RNA)
where:
Base-Base interactions energy: -121.473
where: short stacking energy: -58.371
Base-Backbone interact. energy: -0.215
local terms energy: -71.954309
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -183.815829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.815829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.815829 (E_RNA)
where:
Base-Base interactions energy: -118.053
where: short stacking energy: -46.936
Base-Backbone interact. energy: -0.296
local terms energy: -65.466738
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -173.190567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.190567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.190567 (E_RNA)
where:
Base-Base interactions energy: -108.559
where: short stacking energy: -52.192
Base-Backbone interact. energy: -0.057
local terms energy: -64.574227
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -145.086753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.086753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.086753 (E_RNA)
where:
Base-Base interactions energy: -89.635
where: short stacking energy: -50.745
Base-Backbone interact. energy: -0.265
local terms energy: -55.187110
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -8.194
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: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -171.364962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.364962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.364962 (E_RNA)
where:
Base-Base interactions energy: -99.508
where: short stacking energy: -44.968
Base-Backbone interact. energy: -0.169
local terms energy: -71.687558
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -106.643916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.643916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.643916 (E_RNA)
where:
Base-Base interactions energy: -49.872
where: short stacking energy: -48.984
Base-Backbone interact. energy: -0.172
local terms energy: -56.599526
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -9.659
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: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -91.722340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.722340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.722340 (E_RNA)
where:
Base-Base interactions energy: -36.877
where: short stacking energy: -34.823
Base-Backbone interact. energy: 0.687
local terms energy: -55.533011
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -8.450
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: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -84.500216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.500216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.500216 (E_RNA)
where:
Base-Base interactions energy: -30.241
where: short stacking energy: -27.524
Base-Backbone interact. energy: -0.436
local terms energy: -53.823270
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -105.285874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.285874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.285874 (E_RNA)
where:
Base-Base interactions energy: -52.075
where: short stacking energy: -32.221
Base-Backbone interact. energy: -0.058
local terms energy: -53.153422
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -205.192900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.192900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.192900 (E_RNA)
where:
Base-Base interactions energy: -135.311
where: short stacking energy: -66.269
Base-Backbone interact. energy: -0.005
local terms energy: -69.877517
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -197.413941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.413941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.413941 (E_RNA)
where:
Base-Base interactions energy: -133.113
where: short stacking energy: -54.166
Base-Backbone interact. energy: -0.381
local terms energy: -63.919861
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -11.592
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: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -191.789432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.789432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.789432 (E_RNA)
where:
Base-Base interactions energy: -127.465
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.138
local terms energy: -64.186092
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -4.226
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -175.297451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.297451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.297451 (E_RNA)
where:
Base-Base interactions energy: -102.869
where: short stacking energy: -64.164
Base-Backbone interact. energy: -0.277
local terms energy: -72.151596
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -154.779570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.779570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.779570 (E_RNA)
where:
Base-Base interactions energy: -89.777
where: short stacking energy: -57.056
Base-Backbone interact. energy: -0.145
local terms energy: -64.857721
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -15.736
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: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -113.980227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.980227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.980227 (E_RNA)
where:
Base-Base interactions energy: -58.592
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.243
local terms energy: -55.145300
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -161.847894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.847894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.847894 (E_RNA)
where:
Base-Base interactions energy: -102.464
where: short stacking energy: -49.887
Base-Backbone interact. energy: -0.117
local terms energy: -59.266474
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -9.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -85.402451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.402451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.402451 (E_RNA)
where:
Base-Base interactions energy: -39.175
where: short stacking energy: -33.252
Base-Backbone interact. energy: -0.139
local terms energy: -46.088874
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -74.166129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.166129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.166129 (E_RNA)
where:
Base-Base interactions energy: -23.391
where: short stacking energy: -19.643
Base-Backbone interact. energy: -0.227
local terms energy: -50.547773
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -73.224990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.224990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.224990 (E_RNA)
where:
Base-Base interactions energy: -29.800
where: short stacking energy: -29.800
Base-Backbone interact. energy: -0.197
local terms energy: -43.228081
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -197.972668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.972668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.972668 (E_RNA)
where:
Base-Base interactions energy: -128.857
where: short stacking energy: -50.913
Base-Backbone interact. energy: -0.019
local terms energy: -69.096927
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -15.729
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: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -193.982181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.982181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.982181 (E_RNA)
where:
Base-Base interactions energy: -127.848
where: short stacking energy: -54.171
Base-Backbone interact. energy: -0.182
local terms energy: -65.952120
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -190.604851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.604851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.604851 (E_RNA)
where:
Base-Base interactions energy: -116.502
where: short stacking energy: -70.347
Base-Backbone interact. energy: -0.003
local terms energy: -74.099566
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -22.471
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: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -169.919236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.919236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.919236 (E_RNA)
where:
Base-Base interactions energy: -101.006
where: short stacking energy: -47.901
Base-Backbone interact. energy: -0.114
local terms energy: -68.798769
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -163.410034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.410034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.410034 (E_RNA)
where:
Base-Base interactions energy: -91.272
where: short stacking energy: -55.096
Base-Backbone interact. energy: -0.260
local terms energy: -71.878702
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -15.505
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: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -84.211012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.211012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.211012 (E_RNA)
where:
Base-Base interactions energy: -26.867
where: short stacking energy: -26.867
Base-Backbone interact. energy: -0.171
local terms energy: -57.172345
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -159.539472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.539472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.539472 (E_RNA)
where:
Base-Base interactions energy: -101.371
where: short stacking energy: -40.350
Base-Backbone interact. energy: -0.654
local terms energy: -57.514499
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -84.794524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.794524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.794524 (E_RNA)
where:
Base-Base interactions energy: -42.174
where: short stacking energy: -42.174
Base-Backbone interact. energy: -0.054
local terms energy: -42.566350
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -1.666
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -80.583802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.583802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.583802 (E_RNA)
where:
Base-Base interactions energy: -32.540
where: short stacking energy: -28.014
Base-Backbone interact. energy: -0.367
local terms energy: -47.676561
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -1.777
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: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -79.615432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.615432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.615432 (E_RNA)
where:
Base-Base interactions energy: -28.414
where: short stacking energy: -28.118
Base-Backbone interact. energy: -0.200
local terms energy: -51.001308
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -197.620621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.620621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.620621 (E_RNA)
where:
Base-Base interactions energy: -124.386
where: short stacking energy: -60.214
Base-Backbone interact. energy: -0.051
local terms energy: -73.183691
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -8.825
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: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -195.559569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.559569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.559569 (E_RNA)
where:
Base-Base interactions energy: -132.185
where: short stacking energy: -59.147
Base-Backbone interact. energy: -0.151
local terms energy: -63.222895
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -12.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -186.219419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.219419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.219419 (E_RNA)
where:
Base-Base interactions energy: -112.529
where: short stacking energy: -64.721
Base-Backbone interact. energy: -0.004
local terms energy: -73.686280
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -8.847
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: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -158.192236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.192236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.192236 (E_RNA)
where:
Base-Base interactions energy: -95.742
where: short stacking energy: -35.540
Base-Backbone interact. energy: -0.469
local terms energy: -61.980856
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -167.782855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.782855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.782855 (E_RNA)
where:
Base-Base interactions energy: -101.676
where: short stacking energy: -61.461
Base-Backbone interact. energy: -0.001
local terms energy: -66.105078
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -13.435
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: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -150.413004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.413004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.413004 (E_RNA)
where:
Base-Base interactions energy: -90.473
where: short stacking energy: -45.786
Base-Backbone interact. energy: -0.123
local terms energy: -59.817764
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -94.379172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.379172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.379172 (E_RNA)
where:
Base-Base interactions energy: -33.692
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.022
local terms energy: -60.665450
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -86.720465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.720465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.720465 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -23.946
Base-Backbone interact. energy: 1.984
local terms energy: -51.181099
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -85.627246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.627246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.627246 (E_RNA)
where:
Base-Base interactions energy: -28.970
where: short stacking energy: -28.803
Base-Backbone interact. energy: -0.310
local terms energy: -56.347510
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -4.763
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: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -78.725775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.725775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.725775 (E_RNA)
where:
Base-Base interactions energy: -32.489
where: short stacking energy: -23.905
Base-Backbone interact. energy: -0.345
local terms energy: -45.892046
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -6.017
flat angles P-C4'-P energy: -4.785
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: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -201.835489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.835489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.835489 (E_RNA)
where:
Base-Base interactions energy: -133.446
where: short stacking energy: -53.241
Base-Backbone interact. energy: -0.383
local terms energy: -68.006805
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -12.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -205.667829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.667829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.667829 (E_RNA)
where:
Base-Base interactions energy: -136.525
where: short stacking energy: -57.952
Base-Backbone interact. energy: -0.089
local terms energy: -69.053828
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -184.783595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.783595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.783595 (E_RNA)
where:
Base-Base interactions energy: -115.216
where: short stacking energy: -61.178
Base-Backbone interact. energy: 0.071
local terms energy: -69.639056
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -182.587083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.587083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.587083 (E_RNA)
where:
Base-Base interactions energy: -125.936
where: short stacking energy: -43.966
Base-Backbone interact. energy: -0.683
local terms energy: -55.968582
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -8.163
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: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -175.025793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.025793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.025793 (E_RNA)
where:
Base-Base interactions energy: -109.737
where: short stacking energy: -52.890
Base-Backbone interact. energy: -0.003
local terms energy: -65.286562
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -13.584
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: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -143.959740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.959740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.959740 (E_RNA)
where:
Base-Base interactions energy: -77.580
where: short stacking energy: -43.582
Base-Backbone interact. energy: -0.004
local terms energy: -66.375588
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -8.707
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: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -102.897262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.897262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.897262 (E_RNA)
where:
Base-Base interactions energy: -39.046
where: short stacking energy: -36.862
Base-Backbone interact. energy: -0.117
local terms energy: -63.734844
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -83.043572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.043572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.043572 (E_RNA)
where:
Base-Base interactions energy: -36.781
where: short stacking energy: -27.870
Base-Backbone interact. energy: -0.126
local terms energy: -46.136752
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: 2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -90.253238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.253238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.253238 (E_RNA)
where:
Base-Base interactions energy: -37.871
where: short stacking energy: -25.303
Base-Backbone interact. energy: -0.052
local terms energy: -52.329862
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -74.560110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.560110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.560110 (E_RNA)
where:
Base-Base interactions energy: -27.279
where: short stacking energy: -22.494
Base-Backbone interact. energy: -0.322
local terms energy: -46.959936
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -7.415
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -197.464199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.464199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.464199 (E_RNA)
where:
Base-Base interactions energy: -139.805
where: short stacking energy: -55.566
Base-Backbone interact. energy: -0.499
local terms energy: -57.160779
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -9.795
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.224
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: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -207.763689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.763689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.763689 (E_RNA)
where:
Base-Base interactions energy: -134.889
where: short stacking energy: -62.648
Base-Backbone interact. energy: 0.210
local terms energy: -73.084475
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -168.917705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.917705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.917705 (E_RNA)
where:
Base-Base interactions energy: -104.703
where: short stacking energy: -51.702
Base-Backbone interact. energy: -0.122
local terms energy: -64.092936
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -12.356
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: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -174.999940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.999940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.999940 (E_RNA)
where:
Base-Base interactions energy: -113.186
where: short stacking energy: -64.804
Base-Backbone interact. energy: -0.017
local terms energy: -61.796351
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -171.195382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.195382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.195382 (E_RNA)
where:
Base-Base interactions energy: -105.795
where: short stacking energy: -55.088
Base-Backbone interact. energy: -0.052
local terms energy: -65.348103
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -8.363
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: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -108.241194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.241194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.241194 (E_RNA)
where:
Base-Base interactions energy: -49.584
where: short stacking energy: -36.451
Base-Backbone interact. energy: -0.285
local terms energy: -58.371917
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -8.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -131.559763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.559763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.559763 (E_RNA)
where:
Base-Base interactions energy: -73.865
where: short stacking energy: -40.796
Base-Backbone interact. energy: -0.063
local terms energy: -57.631528
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -99.434255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.434255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.434255 (E_RNA)
where:
Base-Base interactions energy: -48.769
where: short stacking energy: -38.726
Base-Backbone interact. energy: 0.889
local terms energy: -51.553929
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -82.794332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.794332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.794332 (E_RNA)
where:
Base-Base interactions energy: -27.515
where: short stacking energy: -25.322
Base-Backbone interact. energy: -0.225
local terms energy: -55.054054
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -3.972
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: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -80.107757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.107757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.107757 (E_RNA)
where:
Base-Base interactions energy: -35.833
where: short stacking energy: -36.741
Base-Backbone interact. energy: -0.188
local terms energy: -44.086953
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -2.916
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: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -211.347065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.347065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.347065 (E_RNA)
where:
Base-Base interactions energy: -131.946
where: short stacking energy: -73.738
Base-Backbone interact. energy: -0.051
local terms energy: -79.350158
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -206.314642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.314642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.314642 (E_RNA)
where:
Base-Base interactions energy: -140.834
where: short stacking energy: -52.915
Base-Backbone interact. energy: -0.348
local terms energy: -65.132394
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -203.699860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.699860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.699860 (E_RNA)
where:
Base-Base interactions energy: -136.953
where: short stacking energy: -56.058
Base-Backbone interact. energy: -0.024
local terms energy: -66.723282
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -175.663066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.663066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.663066 (E_RNA)
where:
Base-Base interactions energy: -118.934
where: short stacking energy: -53.948
Base-Backbone interact. energy: 1.462
local terms energy: -58.190464
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -11.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -149.453496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.453496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.453496 (E_RNA)
where:
Base-Base interactions energy: -89.404
where: short stacking energy: -49.160
Base-Backbone interact. energy: -0.932
local terms energy: -59.117672
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -11.329
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: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -155.440716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.440716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.440716 (E_RNA)
where:
Base-Base interactions energy: -102.025
where: short stacking energy: -38.855
Base-Backbone interact. energy: -0.100
local terms energy: -53.315554
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -91.027679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.027679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.027679 (E_RNA)
where:
Base-Base interactions energy: -41.394
where: short stacking energy: -41.122
Base-Backbone interact. energy: -0.142
local terms energy: -49.491414
where:
bonds (distance) C4'-P energy: -7.666
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -86.752648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.752648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.752648 (E_RNA)
where:
Base-Base interactions energy: -34.099
where: short stacking energy: -31.214
Base-Backbone interact. energy: -0.016
local terms energy: -52.637783
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -5.407
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: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -80.893218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.893218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.893218 (E_RNA)
where:
Base-Base interactions energy: -27.749
where: short stacking energy: -27.749
Base-Backbone interact. energy: 0.633
local terms energy: -53.777048
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -81.377364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.377364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.377364 (E_RNA)
where:
Base-Base interactions energy: -25.010
where: short stacking energy: -24.678
Base-Backbone interact. energy: -0.077
local terms energy: -56.290257
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -204.745022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.745022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.745022 (E_RNA)
where:
Base-Base interactions energy: -128.203
where: short stacking energy: -72.974
Base-Backbone interact. energy: -0.030
local terms energy: -76.512878
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -21.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -203.038898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.038898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.038898 (E_RNA)
where:
Base-Base interactions energy: -135.472
where: short stacking energy: -56.403
Base-Backbone interact. energy: -1.496
local terms energy: -66.070686
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -189.511715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.511715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.511715 (E_RNA)
where:
Base-Base interactions energy: -122.269
where: short stacking energy: -51.746
Base-Backbone interact. energy: -0.580
local terms energy: -66.662236
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -176.081372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.081372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.081372 (E_RNA)
where:
Base-Base interactions energy: -106.172
where: short stacking energy: -45.511
Base-Backbone interact. energy: -0.003
local terms energy: -69.906227
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -146.787429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.787429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.787429 (E_RNA)
where:
Base-Base interactions energy: -89.991
where: short stacking energy: -50.644
Base-Backbone interact. energy: -0.393
local terms energy: -56.403069
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -168.114034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.114034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.114034 (E_RNA)
where:
Base-Base interactions energy: -104.201
where: short stacking energy: -55.270
Base-Backbone interact. energy: 0.710
local terms energy: -64.622457
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -97.957714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.957714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.957714 (E_RNA)
where:
Base-Base interactions energy: -44.423
where: short stacking energy: -40.015
Base-Backbone interact. energy: -0.035
local terms energy: -53.499933
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -12.301
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: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -83.961486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.961486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.961486 (E_RNA)
where:
Base-Base interactions energy: -31.713
where: short stacking energy: -20.985
Base-Backbone interact. energy: -0.393
local terms energy: -51.855553
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -84.627394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.627394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.627394 (E_RNA)
where:
Base-Base interactions energy: -30.314
where: short stacking energy: -28.902
Base-Backbone interact. energy: -0.085
local terms energy: -54.228369
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -73.238710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.238710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.238710 (E_RNA)
where:
Base-Base interactions energy: -33.361
where: short stacking energy: -24.038
Base-Backbone interact. energy: -0.585
local terms energy: -39.292913
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: 3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -202.470187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.470187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.470187 (E_RNA)
where:
Base-Base interactions energy: -145.852
where: short stacking energy: -65.435
Base-Backbone interact. energy: -0.032
local terms energy: -56.586388
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -12.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -194.625522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.625522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.625522 (E_RNA)
where:
Base-Base interactions energy: -114.473
where: short stacking energy: -67.200
Base-Backbone interact. energy: -0.001
local terms energy: -80.151915
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -198.760891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.760891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.760891 (E_RNA)
where:
Base-Base interactions energy: -130.537
where: short stacking energy: -57.707
Base-Backbone interact. energy: -0.080
local terms energy: -68.144017
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -7.270
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: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -207.314796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.314796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.314796 (E_RNA)
where:
Base-Base interactions energy: -139.045
where: short stacking energy: -54.967
Base-Backbone interact. energy: -0.150
local terms energy: -68.119555
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -162.789214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.789214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.789214 (E_RNA)
where:
Base-Base interactions energy: -105.348
where: short stacking energy: -45.831
Base-Backbone interact. energy: -0.061
local terms energy: -57.380201
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -8.737
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: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -158.394245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.394245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.394245 (E_RNA)
where:
Base-Base interactions energy: -91.854
where: short stacking energy: -54.374
Base-Backbone interact. energy: -0.013
local terms energy: -66.527248
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -10.202
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: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -86.776518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.776518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.776518 (E_RNA)
where:
Base-Base interactions energy: -34.437
where: short stacking energy: -33.475
Base-Backbone interact. energy: -0.257
local terms energy: -52.082638
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -4.337
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: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -91.274851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.274851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.274851 (E_RNA)
where:
Base-Base interactions energy: -38.942
where: short stacking energy: -34.467
Base-Backbone interact. energy: -0.034
local terms energy: -52.299407
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -108.953219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.953219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.953219 (E_RNA)
where:
Base-Base interactions energy: -63.423
where: short stacking energy: -27.647
Base-Backbone interact. energy: -0.879
local terms energy: -44.651101
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: 1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -76.144885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.144885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.144885 (E_RNA)
where:
Base-Base interactions energy: -28.595
where: short stacking energy: -28.595
Base-Backbone interact. energy: -0.242
local terms energy: -47.308232
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -3.206
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -198.347809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.347809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.347809 (E_RNA)
where:
Base-Base interactions energy: -129.632
where: short stacking energy: -58.224
Base-Backbone interact. energy: -0.612
local terms energy: -68.103114
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -10.519
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: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -202.410536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.410536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.410536 (E_RNA)
where:
Base-Base interactions energy: -123.146
where: short stacking energy: -67.625
Base-Backbone interact. energy: -0.004
local terms energy: -79.260339
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -180.597240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.597240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.597240 (E_RNA)
where:
Base-Base interactions energy: -117.030
where: short stacking energy: -50.222
Base-Backbone interact. energy: -0.079
local terms energy: -63.488260
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -11.449
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: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -188.526943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.526943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.526943 (E_RNA)
where:
Base-Base interactions energy: -126.232
where: short stacking energy: -53.419
Base-Backbone interact. energy: -0.046
local terms energy: -62.249135
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -14.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -152.588215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.588215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.588215 (E_RNA)
where:
Base-Base interactions energy: -92.630
where: short stacking energy: -44.811
Base-Backbone interact. energy: -0.076
local terms energy: -59.882899
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -162.717171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.717171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.717171 (E_RNA)
where:
Base-Base interactions energy: -94.298
where: short stacking energy: -47.393
Base-Backbone interact. energy: -0.102
local terms energy: -68.317715
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -9.493
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: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -95.311831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.311831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.311831 (E_RNA)
where:
Base-Base interactions energy: -37.493
where: short stacking energy: -37.493
Base-Backbone interact. energy: -0.080
local terms energy: -57.739109
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -91.680212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.680212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.680212 (E_RNA)
where:
Base-Base interactions energy: -43.660
where: short stacking energy: -29.248
Base-Backbone interact. energy: -0.134
local terms energy: -47.886324
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -3.548
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: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -78.837347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.837347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.837347 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -26.410
Base-Backbone interact. energy: 0.581
local terms energy: -46.049260
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -89.470558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.470558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.470558 (E_RNA)
where:
Base-Base interactions energy: -38.645
where: short stacking energy: -30.713
Base-Backbone interact. energy: 0.126
local terms energy: -50.950878
where:
bonds (distance) C4'-P energy: -7.650
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -2.483
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: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -210.923339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.923339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.923339 (E_RNA)
where:
Base-Base interactions energy: -138.634
where: short stacking energy: -66.319
Base-Backbone interact. energy: -0.101
local terms energy: -72.188658
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -8.812
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: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -215.148922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.148922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.148922 (E_RNA)
where:
Base-Base interactions energy: -152.760
where: short stacking energy: -60.230
Base-Backbone interact. energy: -0.301
local terms energy: -62.087784
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -9.305
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: 3, replica: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -190.068520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.068520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.068520 (E_RNA)
where:
Base-Base interactions energy: -124.717
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.839
local terms energy: -64.512332
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -10.335
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: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -186.749613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.749613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.749613 (E_RNA)
where:
Base-Base interactions energy: -122.156
where: short stacking energy: -47.018
Base-Backbone interact. energy: 0.012
local terms energy: -64.606447
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -9.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -160.176334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.176334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.176334 (E_RNA)
where:
Base-Base interactions energy: -92.314
where: short stacking energy: -49.484
Base-Backbone interact. energy: -0.801
local terms energy: -67.061160
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -150.725273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.725273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.725273 (E_RNA)
where:
Base-Base interactions energy: -98.219
where: short stacking energy: -44.797
Base-Backbone interact. energy: -0.339
local terms energy: -52.166591
where:
bonds (distance) C4'-P energy: -8.182
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -109.669069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.669069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.669069 (E_RNA)
where:
Base-Base interactions energy: -45.709
where: short stacking energy: -44.025
Base-Backbone interact. energy: -0.603
local terms energy: -63.356630
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -13.446
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: 5
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -81.948608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.948608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.948608 (E_RNA)
where:
Base-Base interactions energy: -36.136
where: short stacking energy: -28.843
Base-Backbone interact. energy: 3.078
local terms energy: -48.890389
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: 1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -83.134983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.134983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.134983 (E_RNA)
where:
Base-Base interactions energy: -28.114
where: short stacking energy: -28.114
Base-Backbone interact. energy: -0.025
local terms energy: -54.995057
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -2.918
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -73.999935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.999935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.999935 (E_RNA)
where:
Base-Base interactions energy: -26.210
where: short stacking energy: -23.722
Base-Backbone interact. energy: -1.392
local terms energy: -46.398073
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: 6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -210.374055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.374055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.374055 (E_RNA)
where:
Base-Base interactions energy: -127.471
where: short stacking energy: -71.912
Base-Backbone interact. energy: -0.459
local terms energy: -82.443999
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -207.338428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.338428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.338428 (E_RNA)
where:
Base-Base interactions energy: -137.671
where: short stacking energy: -64.098
Base-Backbone interact. energy: -0.345
local terms energy: -69.322627
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -191.444502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.444502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.444502 (E_RNA)
where:
Base-Base interactions energy: -125.764
where: short stacking energy: -61.260
Base-Backbone interact. energy: -0.023
local terms energy: -65.657132
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.779
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: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -189.915642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.915642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.915642 (E_RNA)
where:
Base-Base interactions energy: -125.162
where: short stacking energy: -64.465
Base-Backbone interact. energy: -0.545
local terms energy: -64.208688
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -135.800031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.800031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.800031 (E_RNA)
where:
Base-Base interactions energy: -75.578
where: short stacking energy: -40.916
Base-Backbone interact. energy: -0.132
local terms energy: -60.089774
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -103.022274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.022274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.022274 (E_RNA)
where:
Base-Base interactions energy: -41.875
where: short stacking energy: -41.875
Base-Backbone interact. energy: 0.073
local terms energy: -61.220350
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -9.762
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: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -133.476598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.476598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.476598 (E_RNA)
where:
Base-Base interactions energy: -82.858
where: short stacking energy: -41.431
Base-Backbone interact. energy: 0.347
local terms energy: -50.965209
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -7.151
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -85.199882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.199882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.199882 (E_RNA)
where:
Base-Base interactions energy: -31.798
where: short stacking energy: -30.409
Base-Backbone interact. energy: 0.410
local terms energy: -53.811798
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -6.170
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: 421
Temperature: 1.300000
Total energy: -80.747097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.747097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.747097 (E_RNA)
where:
Base-Base interactions energy: -37.257
where: short stacking energy: -19.044
Base-Backbone interact. energy: -0.347
local terms energy: -43.142863
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: 0.753
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: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -101.833553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.833553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.833553 (E_RNA)
where:
Base-Base interactions energy: -58.741
where: short stacking energy: -28.633
Base-Backbone interact. energy: -1.124
local terms energy: -41.968796
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -0.825
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -214.855905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.855905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.855905 (E_RNA)
where:
Base-Base interactions energy: -149.466
where: short stacking energy: -53.918
Base-Backbone interact. energy: -0.806
local terms energy: -64.584037
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -9.001
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: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -200.427642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.427642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.427642 (E_RNA)
where:
Base-Base interactions energy: -123.945
where: short stacking energy: -54.951
Base-Backbone interact. energy: -0.106
local terms energy: -76.376838
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -11.074
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: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -204.602007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.602007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.602007 (E_RNA)
where:
Base-Base interactions energy: -132.457
where: short stacking energy: -56.768
Base-Backbone interact. energy: -0.024
local terms energy: -72.121030
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -174.557848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.557848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.557848 (E_RNA)
where:
Base-Base interactions energy: -112.394
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.146
local terms energy: -62.017760
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -168.805959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.805959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.805959 (E_RNA)
where:
Base-Base interactions energy: -99.473
where: short stacking energy: -58.989
Base-Backbone interact. energy: -0.100
local terms energy: -69.232910
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -105.590749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.590749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.590749 (E_RNA)
where:
Base-Base interactions energy: -44.491
where: short stacking energy: -32.263
Base-Backbone interact. energy: -0.137
local terms energy: -60.961927
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -147.865364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.865364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.865364 (E_RNA)
where:
Base-Base interactions energy: -95.668
where: short stacking energy: -47.187
Base-Backbone interact. energy: -0.129
local terms energy: -52.067776
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -97.947165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.947165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.947165 (E_RNA)
where:
Base-Base interactions energy: -41.945
where: short stacking energy: -41.576
Base-Backbone interact. energy: -0.044
local terms energy: -55.957979
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -8.277
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -77.371943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.371943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.371943 (E_RNA)
where:
Base-Base interactions energy: -32.313
where: short stacking energy: -32.313
Base-Backbone interact. energy: -0.189
local terms energy: -44.870121
where:
bonds (distance) C4'-P energy: -7.258
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -8.038
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: 422
Temperature: 1.350000
Total energy: -84.858465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.858465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.858465 (E_RNA)
where:
Base-Base interactions energy: -37.275
where: short stacking energy: -35.042
Base-Backbone interact. energy: -0.173
local terms energy: -47.410465
where:
bonds (distance) C4'-P energy: -5.389
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -208.938672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.938672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.938672 (E_RNA)
where:
Base-Base interactions energy: -145.437
where: short stacking energy: -49.107
Base-Backbone interact. energy: -0.206
local terms energy: -63.295590
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -7.322
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: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -188.543684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.543684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.543684 (E_RNA)
where:
Base-Base interactions energy: -121.026
where: short stacking energy: -55.162
Base-Backbone interact. energy: -0.103
local terms energy: -67.415020
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -10.555
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: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -187.418995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.418995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.418995 (E_RNA)
where:
Base-Base interactions energy: -118.612
where: short stacking energy: -55.676
Base-Backbone interact. energy: -0.151
local terms energy: -68.655618
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -8.235
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: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -177.159865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.159865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.159865 (E_RNA)
where:
Base-Base interactions energy: -103.495
where: short stacking energy: -54.807
Base-Backbone interact. energy: -0.214
local terms energy: -73.450578
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -155.651239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.651239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.651239 (E_RNA)
where:
Base-Base interactions energy: -84.613
where: short stacking energy: -47.829
Base-Backbone interact. energy: -0.026
local terms energy: -71.012639
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -179.224125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.224125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.224125 (E_RNA)
where:
Base-Base interactions energy: -106.352
where: short stacking energy: -61.682
Base-Backbone interact. energy: -0.491
local terms energy: -72.381899
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -12.437
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: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -91.151048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.151048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.151048 (E_RNA)
where:
Base-Base interactions energy: -51.629
where: short stacking energy: -25.083
Base-Backbone interact. energy: -0.234
local terms energy: -39.287919
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: 3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -85.330340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.330340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.330340 (E_RNA)
where:
Base-Base interactions energy: -32.929
where: short stacking energy: -32.929
Base-Backbone interact. energy: -0.100
local terms energy: -52.301725
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -82.970211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.970211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.970211 (E_RNA)
where:
Base-Base interactions energy: -35.299
where: short stacking energy: -34.805
Base-Backbone interact. energy: -0.179
local terms energy: -47.492177
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -8.040
flat angles P-C4'-P energy: -9.437
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: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -79.503347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.503347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.503347 (E_RNA)
where:
Base-Base interactions energy: -34.825
where: short stacking energy: -26.884
Base-Backbone interact. energy: -0.160
local terms energy: -44.518272
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -211.043032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.043032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.043032 (E_RNA)
where:
Base-Base interactions energy: -140.401
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.009
local terms energy: -70.632991
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -202.597184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.597184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.597184 (E_RNA)
where:
Base-Base interactions energy: -141.364
where: short stacking energy: -52.581
Base-Backbone interact. energy: -0.544
local terms energy: -60.689372
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.737
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: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -183.413565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.413565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.413565 (E_RNA)
where:
Base-Base interactions energy: -108.996
where: short stacking energy: -58.317
Base-Backbone interact. energy: -0.147
local terms energy: -74.270649
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -15.828
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: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -175.619641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.619641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.619641 (E_RNA)
where:
Base-Base interactions energy: -112.421
where: short stacking energy: -52.607
Base-Backbone interact. energy: -0.426
local terms energy: -62.772456
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -10.411
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: 424
Temperature: 1.100000
Total energy: -154.904151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.904151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.904151 (E_RNA)
where:
Base-Base interactions energy: -92.286
where: short stacking energy: -49.534
Base-Backbone interact. energy: -0.697
local terms energy: -61.920612
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -158.196969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.196969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.196969 (E_RNA)
where:
Base-Base interactions energy: -92.151
where: short stacking energy: -47.707
Base-Backbone interact. energy: -0.658
local terms energy: -65.388319
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -7.790
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: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -91.384811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.384811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.384811 (E_RNA)
where:
Base-Base interactions energy: -39.699
where: short stacking energy: -30.390
Base-Backbone interact. energy: -0.133
local terms energy: -51.553200
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -86.618654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.618654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.618654 (E_RNA)
where:
Base-Base interactions energy: -31.822
where: short stacking energy: -31.822
Base-Backbone interact. energy: -0.191
local terms energy: -54.605631
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -86.911648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.911648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.911648 (E_RNA)
where:
Base-Base interactions energy: -33.075
where: short stacking energy: -31.369
Base-Backbone interact. energy: 0.255
local terms energy: -54.092009
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -7.640
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: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -83.876577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.876577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.876577 (E_RNA)
where:
Base-Base interactions energy: -36.058
where: short stacking energy: -25.698
Base-Backbone interact. energy: 1.071
local terms energy: -48.889101
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -206.481550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.481550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.481550 (E_RNA)
where:
Base-Base interactions energy: -141.508
where: short stacking energy: -59.266
Base-Backbone interact. energy: -0.316
local terms energy: -64.657296
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -13.914
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -190.376401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.376401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.376401 (E_RNA)
where:
Base-Base interactions energy: -133.469
where: short stacking energy: -53.119
Base-Backbone interact. energy: -0.458
local terms energy: -56.449051
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -11.346
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: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -186.859680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.859680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.859680 (E_RNA)
where:
Base-Base interactions energy: -123.703
where: short stacking energy: -47.194
Base-Backbone interact. energy: -1.448
local terms energy: -61.709280
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -10.302
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: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -177.881278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.881278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.881278 (E_RNA)
where:
Base-Base interactions energy: -116.831
where: short stacking energy: -51.723
Base-Backbone interact. energy: -0.155
local terms energy: -60.895257
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -11.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -153.441446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.441446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.441446 (E_RNA)
where:
Base-Base interactions energy: -93.608
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.114
local terms energy: -59.719942
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -163.770115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.770115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.770115 (E_RNA)
where:
Base-Base interactions energy: -104.758
where: short stacking energy: -43.999
Base-Backbone interact. energy: -1.234
local terms energy: -57.778022
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -7.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -91.061915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.061915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.061915 (E_RNA)
where:
Base-Base interactions energy: -32.567
where: short stacking energy: -22.274
Base-Backbone interact. energy: -0.170
local terms energy: -58.325843
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -12.010
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: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -98.107805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.107805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.107805 (E_RNA)
where:
Base-Base interactions energy: -50.131
where: short stacking energy: -32.878
Base-Backbone interact. energy: -0.093
local terms energy: -47.883999
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -9.000
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -109.854709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.854709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.854709 (E_RNA)
where:
Base-Base interactions energy: -65.073
where: short stacking energy: -34.554
Base-Backbone interact. energy: 0.574
local terms energy: -45.356302
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -0.046
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: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -84.834469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.834469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.834469 (E_RNA)
where:
Base-Base interactions energy: -39.510
where: short stacking energy: -37.554
Base-Backbone interact. energy: 0.842
local terms energy: -46.166386
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -6.593
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -198.360013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.360013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.360013 (E_RNA)
where:
Base-Base interactions energy: -135.522
where: short stacking energy: -63.035
Base-Backbone interact. energy: -0.026
local terms energy: -62.812273
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -203.868582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.868582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.868582 (E_RNA)
where:
Base-Base interactions energy: -128.980
where: short stacking energy: -55.072
Base-Backbone interact. energy: -0.011
local terms energy: -74.877819
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -12.808
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: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -174.567669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.567669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.567669 (E_RNA)
where:
Base-Base interactions energy: -108.210
where: short stacking energy: -61.885
Base-Backbone interact. energy: -0.298
local terms energy: -66.059801
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -16.232
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: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -176.133255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.133255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.133255 (E_RNA)
where:
Base-Base interactions energy: -107.240
where: short stacking energy: -57.633
Base-Backbone interact. energy: -0.241
local terms energy: -68.652559
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -21.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -191.662026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.662026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.662026 (E_RNA)
where:
Base-Base interactions energy: -122.541
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.008
local terms energy: -69.112731
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -159.668058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.668058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.668058 (E_RNA)
where:
Base-Base interactions energy: -101.056
where: short stacking energy: -63.986
Base-Backbone interact. energy: -0.014
local terms energy: -58.597779
where:
bonds (distance) C4'-P energy: -7.566
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -110.643897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.643897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.643897 (E_RNA)
where:
Base-Base interactions energy: -56.725
where: short stacking energy: -31.733
Base-Backbone interact. energy: -0.265
local terms energy: -53.654762
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -88.991456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.991456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.991456 (E_RNA)
where:
Base-Base interactions energy: -36.460
where: short stacking energy: -36.460
Base-Backbone interact. energy: -0.043
local terms energy: -52.488527
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -87.067507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.067507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.067507 (E_RNA)
where:
Base-Base interactions energy: -36.294
where: short stacking energy: -36.294
Base-Backbone interact. energy: -0.141
local terms energy: -50.632136
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -9.433
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -92.163424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.163424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.163424 (E_RNA)
where:
Base-Base interactions energy: -40.814
where: short stacking energy: -40.814
Base-Backbone interact. energy: 0.680
local terms energy: -52.029111
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -7.009
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: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -181.079611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.079611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.079611 (E_RNA)
where:
Base-Base interactions energy: -125.157
where: short stacking energy: -47.003
Base-Backbone interact. energy: -0.288
local terms energy: -55.634383
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -6.506
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: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -193.405535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.405535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.405535 (E_RNA)
where:
Base-Base interactions energy: -122.099
where: short stacking energy: -69.016
Base-Backbone interact. energy: 0.042
local terms energy: -71.348159
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -15.424
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: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -193.414621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.414621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.414621 (E_RNA)
where:
Base-Base interactions energy: -121.740
where: short stacking energy: -58.499
Base-Backbone interact. energy: -0.262
local terms energy: -71.412634
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -176.922594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.922594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.922594 (E_RNA)
where:
Base-Base interactions energy: -104.217
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.502
local terms energy: -72.204097
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -7.386
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: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -180.723377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.723377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.723377 (E_RNA)
where:
Base-Base interactions energy: -108.044
where: short stacking energy: -60.040
Base-Backbone interact. energy: -0.189
local terms energy: -72.490162
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -15.415
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: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -156.199124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.199124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.199124 (E_RNA)
where:
Base-Base interactions energy: -103.460
where: short stacking energy: -48.705
Base-Backbone interact. energy: -0.099
local terms energy: -52.640062
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -10.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -84.340673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.340673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.340673 (E_RNA)
where:
Base-Base interactions energy: -28.648
where: short stacking energy: -26.977
Base-Backbone interact. energy: -1.959
local terms energy: -53.733408
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -90.981824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.981824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.981824 (E_RNA)
where:
Base-Base interactions energy: -36.600
where: short stacking energy: -31.815
Base-Backbone interact. energy: -0.217
local terms energy: -54.165254
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -85.621865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.621865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.621865 (E_RNA)
where:
Base-Base interactions energy: -28.954
where: short stacking energy: -21.953
Base-Backbone interact. energy: -0.008
local terms energy: -56.659971
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -8.863
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: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -75.960521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.960521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.960521 (E_RNA)
where:
Base-Base interactions energy: -26.570
where: short stacking energy: -16.719
Base-Backbone interact. energy: -0.331
local terms energy: -49.059070
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -195.967403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.967403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.967403 (E_RNA)
where:
Base-Base interactions energy: -114.880
where: short stacking energy: -62.753
Base-Backbone interact. energy: -1.087
local terms energy: -80.000119
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -17.558
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: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -168.290927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.290927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.290927 (E_RNA)
where:
Base-Base interactions energy: -101.317
where: short stacking energy: -46.769
Base-Backbone interact. energy: -0.063
local terms energy: -66.910859
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -9.364
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: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -184.505504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.505504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.505504 (E_RNA)
where:
Base-Base interactions energy: -122.764
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.043
local terms energy: -61.699026
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -12.343
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: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -169.943203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.943203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.943203 (E_RNA)
where:
Base-Base interactions energy: -108.485
where: short stacking energy: -50.395
Base-Backbone interact. energy: -0.440
local terms energy: -61.018090
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -160.852925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.852925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.852925 (E_RNA)
where:
Base-Base interactions energy: -101.727
where: short stacking energy: -56.740
Base-Backbone interact. energy: -0.157
local terms energy: -58.969128
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -158.834795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.834795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.834795 (E_RNA)
where:
Base-Base interactions energy: -94.636
where: short stacking energy: -40.563
Base-Backbone interact. energy: -0.130
local terms energy: -64.068252
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -93.962496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.962496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.962496 (E_RNA)
where:
Base-Base interactions energy: -41.781
where: short stacking energy: -31.671
Base-Backbone interact. energy: -1.545
local terms energy: -50.636953
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -90.557488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.557488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.557488 (E_RNA)
where:
Base-Base interactions energy: -37.968
where: short stacking energy: -29.348
Base-Backbone interact. energy: -0.123
local terms energy: -52.466552
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -79.234919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.234919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.234919 (E_RNA)
where:
Base-Base interactions energy: -36.291
where: short stacking energy: -27.729
Base-Backbone interact. energy: -0.260
local terms energy: -42.683276
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -9.505
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: 1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -77.025834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.025834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.025834 (E_RNA)
where:
Base-Base interactions energy: -23.999
where: short stacking energy: -23.752
Base-Backbone interact. energy: -0.075
local terms energy: -52.952047
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -180.321623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.321623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.321623 (E_RNA)
where:
Base-Base interactions energy: -113.980
where: short stacking energy: -63.376
Base-Backbone interact. energy: -0.021
local terms energy: -66.320345
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -11.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -190.385431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.385431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.385431 (E_RNA)
where:
Base-Base interactions energy: -129.091
where: short stacking energy: -51.695
Base-Backbone interact. energy: -0.314
local terms energy: -60.980412
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -189.065172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.065172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.065172 (E_RNA)
where:
Base-Base interactions energy: -130.496
where: short stacking energy: -57.684
Base-Backbone interact. energy: -0.920
local terms energy: -57.648818
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -1.810
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -165.765573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.765573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.765573 (E_RNA)
where:
Base-Base interactions energy: -98.934
where: short stacking energy: -50.892
Base-Backbone interact. energy: -0.066
local terms energy: -66.765664
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -12.059
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: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -161.771948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.771948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.771948 (E_RNA)
where:
Base-Base interactions energy: -90.289
where: short stacking energy: -50.516
Base-Backbone interact. energy: -0.163
local terms energy: -71.319180
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -169.254458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.254458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.254458 (E_RNA)
where:
Base-Base interactions energy: -109.249
where: short stacking energy: -53.207
Base-Backbone interact. energy: -0.254
local terms energy: -59.751413
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -11.078
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: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -95.756008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.756008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.756008 (E_RNA)
where:
Base-Base interactions energy: -39.551
where: short stacking energy: -39.551
Base-Backbone interact. energy: -0.007
local terms energy: -56.198041
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -90.595478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.595478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.595478 (E_RNA)
where:
Base-Base interactions energy: -36.957
where: short stacking energy: -16.764
Base-Backbone interact. energy: -0.103
local terms energy: -53.535746
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -5.455
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: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -92.206454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.206454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.206454 (E_RNA)
where:
Base-Base interactions energy: -31.599
where: short stacking energy: -31.599
Base-Backbone interact. energy: -0.005
local terms energy: -60.602405
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -80.372887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.372887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.372887 (E_RNA)
where:
Base-Base interactions energy: -35.474
where: short stacking energy: -30.148
Base-Backbone interact. energy: -0.476
local terms energy: -44.422756
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -193.727819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.727819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.727819 (E_RNA)
where:
Base-Base interactions energy: -126.747
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.144
local terms energy: -66.836738
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -187.966721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.966721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.966721 (E_RNA)
where:
Base-Base interactions energy: -123.199
where: short stacking energy: -52.511
Base-Backbone interact. energy: -0.059
local terms energy: -64.708564
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -5.886
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: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -187.869247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.869247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.869247 (E_RNA)
where:
Base-Base interactions energy: -122.485
where: short stacking energy: -61.772
Base-Backbone interact. energy: -0.022
local terms energy: -65.362008
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -158.916571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.916571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.916571 (E_RNA)
where:
Base-Base interactions energy: -102.380
where: short stacking energy: -47.143
Base-Backbone interact. energy: -0.085
local terms energy: -56.452306
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -148.184373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.184373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.184373 (E_RNA)
where:
Base-Base interactions energy: -86.531
where: short stacking energy: -39.802
Base-Backbone interact. energy: -0.204
local terms energy: -61.449143
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -167.772790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.772790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.772790 (E_RNA)
where:
Base-Base interactions energy: -104.868
where: short stacking energy: -56.337
Base-Backbone interact. energy: -0.231
local terms energy: -62.674026
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -10.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -97.475276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.475276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.475276 (E_RNA)
where:
Base-Base interactions energy: -38.410
where: short stacking energy: -38.410
Base-Backbone interact. energy: 0.801
local terms energy: -59.866453
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -8.315
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: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -91.640360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.640360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.640360 (E_RNA)
where:
Base-Base interactions energy: -39.860
where: short stacking energy: -28.743
Base-Backbone interact. energy: -0.060
local terms energy: -51.721179
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -85.842686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.842686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.842686 (E_RNA)
where:
Base-Base interactions energy: -30.901
where: short stacking energy: -27.620
Base-Backbone interact. energy: -0.407
local terms energy: -54.535100
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -3.282
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: 430
Temperature: 1.350000
Total energy: -72.381003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.381003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.381003 (E_RNA)
where:
Base-Base interactions energy: -31.581
where: short stacking energy: -19.584
Base-Backbone interact. energy: 0.612
local terms energy: -41.412271
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: 2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -200.743237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.743237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.743237 (E_RNA)
where:
Base-Base interactions energy: -138.746
where: short stacking energy: -64.885
Base-Backbone interact. energy: -0.138
local terms energy: -61.859359
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -192.059574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.059574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.059574 (E_RNA)
where:
Base-Base interactions energy: -125.715
where: short stacking energy: -49.078
Base-Backbone interact. energy: -0.186
local terms energy: -66.157910
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -11.652
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: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -190.441946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.441946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.441946 (E_RNA)
where:
Base-Base interactions energy: -130.335
where: short stacking energy: -56.083
Base-Backbone interact. energy: -0.393
local terms energy: -59.714331
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -189.243590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.243590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.243590 (E_RNA)
where:
Base-Base interactions energy: -117.614
where: short stacking energy: -61.756
Base-Backbone interact. energy: 0.264
local terms energy: -71.893346
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -152.874901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.874901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.874901 (E_RNA)
where:
Base-Base interactions energy: -85.157
where: short stacking energy: -41.642
Base-Backbone interact. energy: -0.119
local terms energy: -67.599000
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -158.532010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.532010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.532010 (E_RNA)
where:
Base-Base interactions energy: -101.309
where: short stacking energy: -51.526
Base-Backbone interact. energy: -0.009
local terms energy: -57.214231
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -96.427965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.427965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.427965 (E_RNA)
where:
Base-Base interactions energy: -43.745
where: short stacking energy: -43.439
Base-Backbone interact. energy: -0.090
local terms energy: -52.592989
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -101.317341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.317341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.317341 (E_RNA)
where:
Base-Base interactions energy: -44.713
where: short stacking energy: -44.713
Base-Backbone interact. energy: 0.947
local terms energy: -57.551301
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -85.158382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.158382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.158382 (E_RNA)
where:
Base-Base interactions energy: -42.554
where: short stacking energy: -28.678
Base-Backbone interact. energy: -0.556
local terms energy: -42.047887
where:
bonds (distance) C4'-P energy: -6.720
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -68.984432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.984432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.984432 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -18.940
Base-Backbone interact. energy: -0.152
local terms energy: -31.929402
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -1.722
tors. eta vs tors. theta energy: 2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -197.710574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.710574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.710574 (E_RNA)
where:
Base-Base interactions energy: -135.200
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.180
local terms energy: -62.330627
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -11.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -194.920572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.920572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.920572 (E_RNA)
where:
Base-Base interactions energy: -128.187
where: short stacking energy: -59.272
Base-Backbone interact. energy: -0.068
local terms energy: -66.665388
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -9.434
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: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -182.316945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.316945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.316945 (E_RNA)
where:
Base-Base interactions energy: -110.990
where: short stacking energy: -51.093
Base-Backbone interact. energy: -0.050
local terms energy: -71.277002
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -9.819
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: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -168.978827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.978827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.978827 (E_RNA)
where:
Base-Base interactions energy: -111.042
where: short stacking energy: -57.735
Base-Backbone interact. energy: -0.218
local terms energy: -57.719246
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -166.882370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.882370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.882370 (E_RNA)
where:
Base-Base interactions energy: -95.032
where: short stacking energy: -52.359
Base-Backbone interact. energy: -0.188
local terms energy: -71.662716
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -16.334
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: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -169.146377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.146377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.146377 (E_RNA)
where:
Base-Base interactions energy: -99.657
where: short stacking energy: -49.216
Base-Backbone interact. energy: -0.009
local terms energy: -69.480638
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -12.167
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: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -93.682096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.682096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.682096 (E_RNA)
where:
Base-Base interactions energy: -43.223
where: short stacking energy: -38.103
Base-Backbone interact. energy: -0.072
local terms energy: -50.386534
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -8.264
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -11.176
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: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -87.168485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168485 (E_RNA)
where:
Base-Base interactions energy: -30.651
where: short stacking energy: -30.651
Base-Backbone interact. energy: 0.461
local terms energy: -56.978711
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -88.977180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.977180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.977180 (E_RNA)
where:
Base-Base interactions energy: -31.943
where: short stacking energy: -24.943
Base-Backbone interact. energy: -0.242
local terms energy: -56.792441
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -81.737963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.737963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.737963 (E_RNA)
where:
Base-Base interactions energy: -31.116
where: short stacking energy: -29.048
Base-Backbone interact. energy: -0.029
local terms energy: -50.593031
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: 2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -202.980791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.980791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.980791 (E_RNA)
where:
Base-Base interactions energy: -127.680
where: short stacking energy: -58.823
Base-Backbone interact. energy: -0.027
local terms energy: -75.274027
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -198.597004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.597004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.597004 (E_RNA)
where:
Base-Base interactions energy: -129.232
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.097
local terms energy: -69.267631
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -10.793
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: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -186.702943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.702943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.702943 (E_RNA)
where:
Base-Base interactions energy: -121.849
where: short stacking energy: -59.846
Base-Backbone interact. energy: -0.119
local terms energy: -64.734651
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -166.176056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.176056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.176056 (E_RNA)
where:
Base-Base interactions energy: -102.595
where: short stacking energy: -51.004
Base-Backbone interact. energy: -0.313
local terms energy: -63.268204
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -13.230
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: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -151.343289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.343289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.343289 (E_RNA)
where:
Base-Base interactions energy: -96.912
where: short stacking energy: -52.892
Base-Backbone interact. energy: -0.638
local terms energy: -53.794160
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -172.786802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.786802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.786802 (E_RNA)
where:
Base-Base interactions energy: -114.521
where: short stacking energy: -53.398
Base-Backbone interact. energy: 0.504
local terms energy: -58.769165
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -100.404580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.404580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.404580 (E_RNA)
where:
Base-Base interactions energy: -48.669
where: short stacking energy: -36.293
Base-Backbone interact. energy: -0.145
local terms energy: -51.590801
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -85.894312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.894312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.894312 (E_RNA)
where:
Base-Base interactions energy: -27.390
where: short stacking energy: -25.562
Base-Backbone interact. energy: -0.012
local terms energy: -58.492410
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -80.684375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.684375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.684375 (E_RNA)
where:
Base-Base interactions energy: -35.792
where: short stacking energy: -27.172
Base-Backbone interact. energy: -0.704
local terms energy: -44.188332
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -7.573
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -4.263
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: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -83.478298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.478298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.478298 (E_RNA)
where:
Base-Base interactions energy: -33.545
where: short stacking energy: -29.780
Base-Backbone interact. energy: -0.062
local terms energy: -49.871535
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -195.993182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.993182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.993182 (E_RNA)
where:
Base-Base interactions energy: -128.094
where: short stacking energy: -68.584
Base-Backbone interact. energy: 0.079
local terms energy: -67.977981
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -2.891
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: 434
Temperature: 0.950000
Total energy: -206.108440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.108440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.108440 (E_RNA)
where:
Base-Base interactions energy: -140.204
where: short stacking energy: -69.988
Base-Backbone interact. energy: -0.342
local terms energy: -65.561465
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -4.722
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: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -171.137602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.137602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.137602 (E_RNA)
where:
Base-Base interactions energy: -110.838
where: short stacking energy: -47.807
Base-Backbone interact. energy: -0.168
local terms energy: -60.131464
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -191.590888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.590888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.590888 (E_RNA)
where:
Base-Base interactions energy: -121.773
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.041
local terms energy: -69.777473
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -13.285
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: 5, replica: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -185.428899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.428899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.428899 (E_RNA)
where:
Base-Base interactions energy: -116.749
where: short stacking energy: -58.557
Base-Backbone interact. energy: -0.116
local terms energy: -68.564005
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -153.156130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.156130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.156130 (E_RNA)
where:
Base-Base interactions energy: -90.950
where: short stacking energy: -50.883
Base-Backbone interact. energy: -0.006
local terms energy: -62.199649
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -85.287353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.287353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.287353 (E_RNA)
where:
Base-Base interactions energy: -33.789
where: short stacking energy: -32.826
Base-Backbone interact. energy: -0.959
local terms energy: -50.539169
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -8.973
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: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -108.939561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.939561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.939561 (E_RNA)
where:
Base-Base interactions energy: -58.407
where: short stacking energy: -44.135
Base-Backbone interact. energy: -1.214
local terms energy: -49.318642
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -11.295
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: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -79.684956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.684956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.684956 (E_RNA)
where:
Base-Base interactions energy: -29.770
where: short stacking energy: -26.972
Base-Backbone interact. energy: -0.128
local terms energy: -49.786890
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -85.800494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.800494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.800494 (E_RNA)
where:
Base-Base interactions energy: -36.288
where: short stacking energy: -29.812
Base-Backbone interact. energy: -0.790
local terms energy: -48.722301
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -3.187
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -204.100839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.100839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.100839 (E_RNA)
where:
Base-Base interactions energy: -132.023
where: short stacking energy: -70.129
Base-Backbone interact. energy: -0.005
local terms energy: -72.073294
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -11.358
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: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -186.257599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.257599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.257599 (E_RNA)
where:
Base-Base interactions energy: -117.919
where: short stacking energy: -52.075
Base-Backbone interact. energy: -0.097
local terms energy: -68.241523
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -11.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -205.738829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.738829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.738829 (E_RNA)
where:
Base-Base interactions energy: -137.170
where: short stacking energy: -55.888
Base-Backbone interact. energy: -1.775
local terms energy: -66.793441
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -176.436887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.436887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.436887 (E_RNA)
where:
Base-Base interactions energy: -106.532
where: short stacking energy: -49.502
Base-Backbone interact. energy: -0.201
local terms energy: -69.703592
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -12.115
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: 435
Temperature: 1.100000
Total energy: -165.066176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.066176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.066176 (E_RNA)
where:
Base-Base interactions energy: -99.883
where: short stacking energy: -38.990
Base-Backbone interact. energy: -0.141
local terms energy: -65.041733
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -8.855
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: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -94.866847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.866847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.866847 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -33.955
Base-Backbone interact. energy: 1.383
local terms energy: -59.200853
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -114.286939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.286939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.286939 (E_RNA)
where:
Base-Base interactions energy: -56.294
where: short stacking energy: -29.101
Base-Backbone interact. energy: -0.530
local terms energy: -57.463559
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -4.083
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: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -96.900575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.900575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.900575 (E_RNA)
where:
Base-Base interactions energy: -37.320
where: short stacking energy: -36.453
Base-Backbone interact. energy: -0.418
local terms energy: -59.163248
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -86.285013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.285013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.285013 (E_RNA)
where:
Base-Base interactions energy: -39.857
where: short stacking energy: -28.502
Base-Backbone interact. energy: -0.001
local terms energy: -46.427006
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -9.004
flat angles C4'-P-C4' energy: -8.630
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -8.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -85.226384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.226384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.226384 (E_RNA)
where:
Base-Base interactions energy: -33.015
where: short stacking energy: -30.994
Base-Backbone interact. energy: -0.197
local terms energy: -52.014027
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -216.363429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.363429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.363429 (E_RNA)
where:
Base-Base interactions energy: -138.743
where: short stacking energy: -72.877
Base-Backbone interact. energy: -0.003
local terms energy: -77.617017
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -19.269
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: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -194.630594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.630594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.630594 (E_RNA)
where:
Base-Base interactions energy: -115.156
where: short stacking energy: -58.742
Base-Backbone interact. energy: -0.002
local terms energy: -79.471836
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -12.074
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: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -195.462047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.462047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.462047 (E_RNA)
where:
Base-Base interactions energy: -130.223
where: short stacking energy: -51.451
Base-Backbone interact. energy: -0.176
local terms energy: -65.063146
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -7.662
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: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -182.010538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.010538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.010538 (E_RNA)
where:
Base-Base interactions energy: -116.158
where: short stacking energy: -48.201
Base-Backbone interact. energy: -0.065
local terms energy: -65.786613
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -157.150564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.150564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.150564 (E_RNA)
where:
Base-Base interactions energy: -94.826
where: short stacking energy: -56.935
Base-Backbone interact. energy: -0.059
local terms energy: -62.265426
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -140.853259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.853259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.853259 (E_RNA)
where:
Base-Base interactions energy: -79.514
where: short stacking energy: -48.290
Base-Backbone interact. energy: -0.004
local terms energy: -61.334658
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -135.540649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.540649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.540649 (E_RNA)
where:
Base-Base interactions energy: -82.769
where: short stacking energy: -47.733
Base-Backbone interact. energy: -0.242
local terms energy: -52.529659
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -7.295
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: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -97.479852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.479852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.479852 (E_RNA)
where:
Base-Base interactions energy: -49.213
where: short stacking energy: -41.742
Base-Backbone interact. energy: -0.152
local terms energy: -48.115638
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -8.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -83.497877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.497877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.497877 (E_RNA)
where:
Base-Base interactions energy: -36.669
where: short stacking energy: -26.400
Base-Backbone interact. energy: 0.510
local terms energy: -47.339192
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -7.779
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -85.620279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.620279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.620279 (E_RNA)
where:
Base-Base interactions energy: -39.006
where: short stacking energy: -31.906
Base-Backbone interact. energy: -0.516
local terms energy: -46.098755
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -7.196
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -215.529151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.529151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.529151 (E_RNA)
where:
Base-Base interactions energy: -143.912
where: short stacking energy: -75.063
Base-Backbone interact. energy: 0.395
local terms energy: -72.011915
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -180.140206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.140206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.140206 (E_RNA)
where:
Base-Base interactions energy: -109.338
where: short stacking energy: -48.352
Base-Backbone interact. energy: -0.141
local terms energy: -70.661443
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -11.987
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: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -179.153615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.153615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.153615 (E_RNA)
where:
Base-Base interactions energy: -117.857
where: short stacking energy: -49.117
Base-Backbone interact. energy: -0.151
local terms energy: -61.146174
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -14.256
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: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -164.346497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.346497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.346497 (E_RNA)
where:
Base-Base interactions energy: -108.536
where: short stacking energy: -45.778
Base-Backbone interact. energy: 1.587
local terms energy: -57.397634
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -8.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -176.458542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.458542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.458542 (E_RNA)
where:
Base-Base interactions energy: -109.089
where: short stacking energy: -51.027
Base-Backbone interact. energy: -0.011
local terms energy: -67.358374
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -152.305510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.305510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.305510 (E_RNA)
where:
Base-Base interactions energy: -90.236
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.208
local terms energy: -61.860837
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -8.294
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: 7, replica: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -141.259937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.259937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.259937 (E_RNA)
where:
Base-Base interactions energy: -80.355
where: short stacking energy: -44.850
Base-Backbone interact. energy: -0.017
local terms energy: -60.887910
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -84.379903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.379903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.379903 (E_RNA)
where:
Base-Base interactions energy: -44.714
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.175
local terms energy: -39.490877
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -5.739
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -83.638569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.638569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.638569 (E_RNA)
where:
Base-Base interactions energy: -27.281
where: short stacking energy: -23.185
Base-Backbone interact. energy: -0.453
local terms energy: -55.903645
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -12.217
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: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -73.127247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.127247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.127247 (E_RNA)
where:
Base-Base interactions energy: -25.728
where: short stacking energy: -25.728
Base-Backbone interact. energy: -1.266
local terms energy: -46.132859
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -214.052661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.052661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.052661 (E_RNA)
where:
Base-Base interactions energy: -142.173
where: short stacking energy: -56.877
Base-Backbone interact. energy: -0.003
local terms energy: -71.876391
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -16.514
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: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -191.583427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.583427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.583427 (E_RNA)
where:
Base-Base interactions energy: -112.681
where: short stacking energy: -64.697
Base-Backbone interact. energy: 0.104
local terms energy: -79.006470
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -19.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -201.010832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.010832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.010832 (E_RNA)
where:
Base-Base interactions energy: -131.376
where: short stacking energy: -58.990
Base-Backbone interact. energy: -1.025
local terms energy: -68.610003
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -14.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -163.462705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.462705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.462705 (E_RNA)
where:
Base-Base interactions energy: -102.830
where: short stacking energy: -45.440
Base-Backbone interact. energy: 0.194
local terms energy: -60.826567
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -7.598
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: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -159.798927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.798927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.798927 (E_RNA)
where:
Base-Base interactions energy: -88.269
where: short stacking energy: -52.289
Base-Backbone interact. energy: -0.011
local terms energy: -71.518928
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -166.582527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.582527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.582527 (E_RNA)
where:
Base-Base interactions energy: -97.842
where: short stacking energy: -50.928
Base-Backbone interact. energy: -0.787
local terms energy: -67.954329
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -86.985529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.985529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.985529 (E_RNA)
where:
Base-Base interactions energy: -36.024
where: short stacking energy: -24.928
Base-Backbone interact. energy: -0.251
local terms energy: -50.710535
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -7.850
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: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -112.777391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.777391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.777391 (E_RNA)
where:
Base-Base interactions energy: -66.274
where: short stacking energy: -32.293
Base-Backbone interact. energy: -0.258
local terms energy: -46.245523
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -7.224
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -3.698
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: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -78.879628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.879628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.879628 (E_RNA)
where:
Base-Base interactions energy: -37.614
where: short stacking energy: -23.373
Base-Backbone interact. energy: 1.309
local terms energy: -42.575028
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: 2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -94.971731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.971731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.971731 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -37.708
Base-Backbone interact. energy: -0.706
local terms energy: -56.557290
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -6.777
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -10.599
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: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -213.113944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.113944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.113944 (E_RNA)
where:
Base-Base interactions energy: -141.374
where: short stacking energy: -56.477
Base-Backbone interact. energy: -0.033
local terms energy: -71.706398
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -208.325672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.325672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.325672 (E_RNA)
where:
Base-Base interactions energy: -144.233
where: short stacking energy: -60.677
Base-Backbone interact. energy: -0.035
local terms energy: -64.057977
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -13.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -174.866809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.866809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.866809 (E_RNA)
where:
Base-Base interactions energy: -107.324
where: short stacking energy: -58.699
Base-Backbone interact. energy: 0.104
local terms energy: -67.646270
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -8.431
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: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -171.620987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.620987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.620987 (E_RNA)
where:
Base-Base interactions energy: -100.602
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.004
local terms energy: -71.015424
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -151.449441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.449441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.449441 (E_RNA)
where:
Base-Base interactions energy: -84.314
where: short stacking energy: -40.682
Base-Backbone interact. energy: 2.476
local terms energy: -69.611288
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -8.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -160.984585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.984585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.984585 (E_RNA)
where:
Base-Base interactions energy: -92.584
where: short stacking energy: -52.847
Base-Backbone interact. energy: -0.029
local terms energy: -68.371270
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -6.437
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: 7, replica: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -94.171160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.171160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.171160 (E_RNA)
where:
Base-Base interactions energy: -38.970
where: short stacking energy: -31.928
Base-Backbone interact. energy: -0.132
local terms energy: -55.069071
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -80.893338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.893338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.893338 (E_RNA)
where:
Base-Base interactions energy: -26.766
where: short stacking energy: -26.766
Base-Backbone interact. energy: -0.204
local terms energy: -53.922712
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -5.881
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -81.827933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.827933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.827933 (E_RNA)
where:
Base-Base interactions energy: -40.176
where: short stacking energy: -30.855
Base-Backbone interact. energy: -0.270
local terms energy: -41.381761
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -73.672958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.672958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.672958 (E_RNA)
where:
Base-Base interactions energy: -24.633
where: short stacking energy: -24.633
Base-Backbone interact. energy: 0.684
local terms energy: -49.724812
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -212.456562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.456562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.456562 (E_RNA)
where:
Base-Base interactions energy: -140.522
where: short stacking energy: -58.517
Base-Backbone interact. energy: -0.006
local terms energy: -71.928835
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -201.434420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.434420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.434420 (E_RNA)
where:
Base-Base interactions energy: -137.342
where: short stacking energy: -55.884
Base-Backbone interact. energy: -0.090
local terms energy: -64.002487
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -177.745340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.745340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.745340 (E_RNA)
where:
Base-Base interactions energy: -105.370
where: short stacking energy: -56.855
Base-Backbone interact. energy: -0.132
local terms energy: -72.243293
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -15.427
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: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -159.652718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.652718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.652718 (E_RNA)
where:
Base-Base interactions energy: -88.502
where: short stacking energy: -51.545
Base-Backbone interact. energy: -0.230
local terms energy: -70.921606
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -188.854670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.854670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.854670 (E_RNA)
where:
Base-Base interactions energy: -117.982
where: short stacking energy: -58.319
Base-Backbone interact. energy: -0.341
local terms energy: -70.531597
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -165.156710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.156710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.156710 (E_RNA)
where:
Base-Base interactions energy: -112.827
where: short stacking energy: -50.437
Base-Backbone interact. energy: -0.009
local terms energy: -52.320343
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -84.533266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.533266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.533266 (E_RNA)
where:
Base-Base interactions energy: -39.568
where: short stacking energy: -35.793
Base-Backbone interact. energy: -0.554
local terms energy: -44.410572
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -103.462124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.462124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.462124 (E_RNA)
where:
Base-Base interactions energy: -45.794
where: short stacking energy: -37.753
Base-Backbone interact. energy: -0.068
local terms energy: -57.599741
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -2.144
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -84.923892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.923892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.923892 (E_RNA)
where:
Base-Base interactions energy: -32.751
where: short stacking energy: -32.020
Base-Backbone interact. energy: -0.173
local terms energy: -51.999994
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -5.926
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: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -83.767362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.767362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.767362 (E_RNA)
where:
Base-Base interactions energy: -35.606
where: short stacking energy: -35.606
Base-Backbone interact. energy: -0.011
local terms energy: -48.150966
where:
bonds (distance) C4'-P energy: -6.832
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -206.247667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.247667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.247667 (E_RNA)
where:
Base-Base interactions energy: -135.621
where: short stacking energy: -61.687
Base-Backbone interact. energy: -0.029
local terms energy: -70.598331
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -12.112
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: 2, replica: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -208.066317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.066317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.066317 (E_RNA)
where:
Base-Base interactions energy: -134.890
where: short stacking energy: -65.538
Base-Backbone interact. energy: -0.899
local terms energy: -72.277179
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -189.019510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.019510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.019510 (E_RNA)
where:
Base-Base interactions energy: -117.638
where: short stacking energy: -63.664
Base-Backbone interact. energy: -0.115
local terms energy: -71.266125
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -165.338851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.338851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.338851 (E_RNA)
where:
Base-Base interactions energy: -102.377
where: short stacking energy: -56.870
Base-Backbone interact. energy: -0.925
local terms energy: -62.037376
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -151.342927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.342927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.342927 (E_RNA)
where:
Base-Base interactions energy: -84.824
where: short stacking energy: -52.473
Base-Backbone interact. energy: -0.073
local terms energy: -66.446123
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -13.465
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: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -171.070206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.070206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.070206 (E_RNA)
where:
Base-Base interactions energy: -113.669
where: short stacking energy: -48.041
Base-Backbone interact. energy: -0.074
local terms energy: -57.327255
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -106.353714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.353714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.353714 (E_RNA)
where:
Base-Base interactions energy: -58.251
where: short stacking energy: -36.970
Base-Backbone interact. energy: -0.099
local terms energy: -48.003758
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -3.843
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: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -89.362458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.362458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.362458 (E_RNA)
where:
Base-Base interactions energy: -30.504
where: short stacking energy: -30.504
Base-Backbone interact. energy: -0.605
local terms energy: -58.253957
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -8.808
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: 441
Temperature: 1.300000
Total energy: -88.936421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.936421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.936421 (E_RNA)
where:
Base-Base interactions energy: -36.258
where: short stacking energy: -35.459
Base-Backbone interact. energy: -0.094
local terms energy: -52.583671
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -5.912
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -8.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -80.841791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.841791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.841791 (E_RNA)
where:
Base-Base interactions energy: -30.029
where: short stacking energy: -25.816
Base-Backbone interact. energy: -0.013
local terms energy: -50.799187
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -8.521
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: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -205.407933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.407933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.407933 (E_RNA)
where:
Base-Base interactions energy: -136.538
where: short stacking energy: -61.018
Base-Backbone interact. energy: -0.603
local terms energy: -68.266662
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -195.413894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.413894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.413894 (E_RNA)
where:
Base-Base interactions energy: -129.529
where: short stacking energy: -52.254
Base-Backbone interact. energy: 1.791
local terms energy: -67.675166
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -196.476417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.476417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.476417 (E_RNA)
where:
Base-Base interactions energy: -121.302
where: short stacking energy: -61.908
Base-Backbone interact. energy: -0.021
local terms energy: -75.153629
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -165.882907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.882907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.882907 (E_RNA)
where:
Base-Base interactions energy: -104.371
where: short stacking energy: -51.295
Base-Backbone interact. energy: 0.327
local terms energy: -61.838372
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -12.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -167.004135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.004135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.004135 (E_RNA)
where:
Base-Base interactions energy: -99.698
where: short stacking energy: -53.833
Base-Backbone interact. energy: -0.039
local terms energy: -67.266717
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -13.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -118.410737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.410737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.410737 (E_RNA)
where:
Base-Base interactions energy: -66.145
where: short stacking energy: -30.528
Base-Backbone interact. energy: -0.480
local terms energy: -51.785759
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -96.423811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.423811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.423811 (E_RNA)
where:
Base-Base interactions energy: -47.338
where: short stacking energy: -41.904
Base-Backbone interact. energy: -0.007
local terms energy: -49.078904
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -2.422
tors. eta vs tors. theta energy: -7.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -102.792308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.792308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.792308 (E_RNA)
where:
Base-Base interactions energy: -39.521
where: short stacking energy: -39.521
Base-Backbone interact. energy: -0.044
local terms energy: -63.227512
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -11.979
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: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -89.617818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.617818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.617818 (E_RNA)
where:
Base-Base interactions energy: -38.640
where: short stacking energy: -38.640
Base-Backbone interact. energy: -0.068
local terms energy: -50.910511
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -4.367
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -74.030756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.030756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.030756 (E_RNA)
where:
Base-Base interactions energy: -30.406
where: short stacking energy: -28.448
Base-Backbone interact. energy: -0.023
local terms energy: -43.601163
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -5.638
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: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -210.254786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.254786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.254786 (E_RNA)
where:
Base-Base interactions energy: -138.807
where: short stacking energy: -63.415
Base-Backbone interact. energy: -0.058
local terms energy: -71.389580
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -191.791143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.791143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.791143 (E_RNA)
where:
Base-Base interactions energy: -120.090
where: short stacking energy: -62.069
Base-Backbone interact. energy: 0.147
local terms energy: -71.848523
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -16.020
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: 443
Temperature: 1.000000
Total energy: -188.509405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.509405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.509405 (E_RNA)
where:
Base-Base interactions energy: -121.121
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.110
local terms energy: -67.278314
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -13.884
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: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -168.889804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.889804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.889804 (E_RNA)
where:
Base-Base interactions energy: -106.787
where: short stacking energy: -39.972
Base-Backbone interact. energy: -0.608
local terms energy: -61.494964
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -8.226
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: 5, replica: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -170.328877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.328877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.328877 (E_RNA)
where:
Base-Base interactions energy: -103.352
where: short stacking energy: -53.621
Base-Backbone interact. energy: 0.462
local terms energy: -67.438386
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -100.419700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.419700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.419700 (E_RNA)
where:
Base-Base interactions energy: -39.340
where: short stacking energy: -37.689
Base-Backbone interact. energy: -1.293
local terms energy: -59.787026
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -11.550
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: 7, replica: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -95.912455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.912455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.912455 (E_RNA)
where:
Base-Base interactions energy: -44.255
where: short stacking energy: -25.186
Base-Backbone interact. energy: -0.228
local terms energy: -51.429575
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: 1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -85.191121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.191121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.191121 (E_RNA)
where:
Base-Base interactions energy: -34.444
where: short stacking energy: -22.248
Base-Backbone interact. energy: -0.992
local terms energy: -49.754476
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -9.181
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: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -77.757818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.757818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.757818 (E_RNA)
where:
Base-Base interactions energy: -40.054
where: short stacking energy: -24.148
Base-Backbone interact. energy: 1.478
local terms energy: -39.181490
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -5.986
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -81.466961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.466961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.466961 (E_RNA)
where:
Base-Base interactions energy: -34.471
where: short stacking energy: -34.471
Base-Backbone interact. energy: 0.053
local terms energy: -47.049036
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -203.284398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.284398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.284398 (E_RNA)
where:
Base-Base interactions energy: -123.136
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.025
local terms energy: -80.123450
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -209.959899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.959899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.959899 (E_RNA)
where:
Base-Base interactions energy: -135.750
where: short stacking energy: -57.988
Base-Backbone interact. energy: -0.012
local terms energy: -74.197344
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -16.016
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: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -174.467268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.467268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.467268 (E_RNA)
where:
Base-Base interactions energy: -112.916
where: short stacking energy: -60.251
Base-Backbone interact. energy: -0.040
local terms energy: -61.511024
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -10.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -167.857763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.857763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.857763 (E_RNA)
where:
Base-Base interactions energy: -99.128
where: short stacking energy: -52.823
Base-Backbone interact. energy: -0.241
local terms energy: -68.489481
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -157.308419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.308419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.308419 (E_RNA)
where:
Base-Base interactions energy: -92.527
where: short stacking energy: -48.931
Base-Backbone interact. energy: -0.007
local terms energy: -64.774258
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -10.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -97.511446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.511446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.511446 (E_RNA)
where:
Base-Base interactions energy: -42.520
where: short stacking energy: -42.520
Base-Backbone interact. energy: -0.130
local terms energy: -54.861873
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -99.614719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.614719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.614719 (E_RNA)
where:
Base-Base interactions energy: -39.112
where: short stacking energy: -36.922
Base-Backbone interact. energy: 0.026
local terms energy: -60.528311
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -8.187
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: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -101.114515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.114515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.114515 (E_RNA)
where:
Base-Base interactions energy: -46.404
where: short stacking energy: -30.108
Base-Backbone interact. energy: -1.049
local terms energy: -53.661419
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -89.449111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.449111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.449111 (E_RNA)
where:
Base-Base interactions energy: -41.058
where: short stacking energy: -38.913
Base-Backbone interact. energy: -0.116
local terms energy: -48.274887
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -5.754
flat angles P-C4'-P energy: -8.693
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: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -78.102888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.102888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.102888 (E_RNA)
where:
Base-Base interactions energy: -33.625
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.766
local terms energy: -43.711639
where:
bonds (distance) C4'-P energy: -6.879
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -186.486735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.486735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.486735 (E_RNA)
where:
Base-Base interactions energy: -109.422
where: short stacking energy: -60.415
Base-Backbone interact. energy: -0.346
local terms energy: -76.719305
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -207.171877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.171877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.171877 (E_RNA)
where:
Base-Base interactions energy: -139.525
where: short stacking energy: -55.520
Base-Backbone interact. energy: 2.249
local terms energy: -69.895964
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -193.108983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.108983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.108983 (E_RNA)
where:
Base-Base interactions energy: -124.138
where: short stacking energy: -67.347
Base-Backbone interact. energy: -0.003
local terms energy: -68.967692
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -13.536
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: 445
Temperature: 1.050000
Total energy: -172.518805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.518805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.518805 (E_RNA)
where:
Base-Base interactions energy: -109.500
where: short stacking energy: -54.552
Base-Backbone interact. energy: -0.002
local terms energy: -63.017244
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -13.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -168.018848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.018848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.018848 (E_RNA)
where:
Base-Base interactions energy: -103.192
where: short stacking energy: -51.434
Base-Backbone interact. energy: -0.006
local terms energy: -64.820844
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -159.881512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.881512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.881512 (E_RNA)
where:
Base-Base interactions energy: -102.185
where: short stacking energy: -52.577
Base-Backbone interact. energy: -0.455
local terms energy: -57.241701
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -8.789
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: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -91.467864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.467864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.467864 (E_RNA)
where:
Base-Base interactions energy: -28.028
where: short stacking energy: -28.028
Base-Backbone interact. energy: -0.168
local terms energy: -63.272468
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -6.640
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: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -88.824766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.824766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.824766 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -32.220
Base-Backbone interact. energy: -0.111
local terms energy: -55.853917
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -79.312076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.312076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.312076 (E_RNA)
where:
Base-Base interactions energy: -33.018
where: short stacking energy: -33.018
Base-Backbone interact. energy: -0.007
local terms energy: -46.286920
where:
bonds (distance) C4'-P energy: -6.410
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -85.062511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.062511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.062511 (E_RNA)
where:
Base-Base interactions energy: -47.529
where: short stacking energy: -21.447
Base-Backbone interact. energy: -0.086
local terms energy: -37.447284
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -6.336
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: 3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -182.609189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.609189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.609189 (E_RNA)
where:
Base-Base interactions energy: -111.166
where: short stacking energy: -53.391
Base-Backbone interact. energy: 0.065
local terms energy: -71.508231
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.827
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: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -205.409071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.409071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.409071 (E_RNA)
where:
Base-Base interactions energy: -130.303
where: short stacking energy: -66.644
Base-Backbone interact. energy: -0.021
local terms energy: -75.084674
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -12.709
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: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -196.442700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.442700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.442700 (E_RNA)
where:
Base-Base interactions energy: -124.188
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.018
local terms energy: -72.236860
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -13.768
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: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -157.426901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.426901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.426901 (E_RNA)
where:
Base-Base interactions energy: -98.102
where: short stacking energy: -45.735
Base-Backbone interact. energy: -0.074
local terms energy: -59.251327
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -8.126
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: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -165.138488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.138488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.138488 (E_RNA)
where:
Base-Base interactions energy: -93.361
where: short stacking energy: -52.022
Base-Backbone interact. energy: -0.058
local terms energy: -71.718890
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -10.907
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: 446
Temperature: 1.150000
Total energy: -147.562453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.562453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.562453 (E_RNA)
where:
Base-Base interactions energy: -84.129
where: short stacking energy: -44.882
Base-Backbone interact. energy: -0.113
local terms energy: -63.319751
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -8.513
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: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -102.158589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.158589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.158589 (E_RNA)
where:
Base-Base interactions energy: -46.592
where: short stacking energy: -29.180
Base-Backbone interact. energy: -0.073
local terms energy: -55.494074
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -99.117333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.117333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.117333 (E_RNA)
where:
Base-Base interactions energy: -46.818
where: short stacking energy: -37.962
Base-Backbone interact. energy: -0.233
local terms energy: -52.066788
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -108.043019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.043019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.043019 (E_RNA)
where:
Base-Base interactions energy: -51.705
where: short stacking energy: -43.210
Base-Backbone interact. energy: -0.204
local terms energy: -56.134036
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -8.043
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -9.210
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: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -70.648082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.648082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.648082 (E_RNA)
where:
Base-Base interactions energy: -25.543
where: short stacking energy: -25.543
Base-Backbone interact. energy: -0.441
local terms energy: -44.663781
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -0.449
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -205.611384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.611384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.611384 (E_RNA)
where:
Base-Base interactions energy: -129.332
where: short stacking energy: -58.187
Base-Backbone interact. energy: -0.018
local terms energy: -76.261373
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -203.958091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.958091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.958091 (E_RNA)
where:
Base-Base interactions energy: -129.121
where: short stacking energy: -54.361
Base-Backbone interact. energy: -0.458
local terms energy: -74.378544
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -192.714752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.714752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.714752 (E_RNA)
where:
Base-Base interactions energy: -117.645
where: short stacking energy: -60.103
Base-Backbone interact. energy: -0.004
local terms energy: -75.066581
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -17.015
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: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -167.381585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.381585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.381585 (E_RNA)
where:
Base-Base interactions energy: -109.473
where: short stacking energy: -54.777
Base-Backbone interact. energy: -0.120
local terms energy: -57.788065
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -168.707322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.707322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.707322 (E_RNA)
where:
Base-Base interactions energy: -105.571
where: short stacking energy: -64.807
Base-Backbone interact. energy: -0.418
local terms energy: -62.719092
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -158.905241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.905241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.905241 (E_RNA)
where:
Base-Base interactions energy: -92.132
where: short stacking energy: -53.164
Base-Backbone interact. energy: -0.520
local terms energy: -66.253236
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -13.478
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: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -102.719283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.719283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.719283 (E_RNA)
where:
Base-Base interactions energy: -38.835
where: short stacking energy: -34.639
Base-Backbone interact. energy: -0.001
local terms energy: -63.883710
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -8.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -107.278075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.278075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.278075 (E_RNA)
where:
Base-Base interactions energy: -49.183
where: short stacking energy: -31.437
Base-Backbone interact. energy: -0.290
local terms energy: -57.805246
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -78.942859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.942859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.942859 (E_RNA)
where:
Base-Base interactions energy: -33.482
where: short stacking energy: -32.522
Base-Backbone interact. energy: -0.044
local terms energy: -45.417478
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -6.282
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -84.950231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.950231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.950231 (E_RNA)
where:
Base-Base interactions energy: -33.355
where: short stacking energy: -31.471
Base-Backbone interact. energy: -1.686
local terms energy: -49.909424
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -7.267
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: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -215.138084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.138084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.138084 (E_RNA)
where:
Base-Base interactions energy: -139.816
where: short stacking energy: -55.591
Base-Backbone interact. energy: -0.020
local terms energy: -75.302133
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -201.910276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.910276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.910276 (E_RNA)
where:
Base-Base interactions energy: -132.625
where: short stacking energy: -51.487
Base-Backbone interact. energy: -0.024
local terms energy: -69.261388
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -12.767
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: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -180.003159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.003159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.003159 (E_RNA)
where:
Base-Base interactions energy: -114.487
where: short stacking energy: -65.186
Base-Backbone interact. energy: -0.010
local terms energy: -65.506932
where:
bonds (distance) C4'-P energy: -8.282
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -16.048
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: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -178.783293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.783293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.783293 (E_RNA)
where:
Base-Base interactions energy: -116.592
where: short stacking energy: -49.065
Base-Backbone interact. energy: -0.038
local terms energy: -62.152951
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -11.476
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: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -165.459904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.459904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.459904 (E_RNA)
where:
Base-Base interactions energy: -102.499
where: short stacking energy: -51.663
Base-Backbone interact. energy: -0.213
local terms energy: -62.748058
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -9.991
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: 6, replica: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -154.997003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.997003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.997003 (E_RNA)
where:
Base-Base interactions energy: -98.404
where: short stacking energy: -42.784
Base-Backbone interact. energy: -0.235
local terms energy: -56.358839
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -110.412826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.412826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.412826 (E_RNA)
where:
Base-Base interactions energy: -53.937
where: short stacking energy: -51.516
Base-Backbone interact. energy: -0.301
local terms energy: -56.174393
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -13.900
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: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -84.711819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.711819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.711819 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -22.375
Base-Backbone interact. energy: -0.174
local terms energy: -49.728433
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -83.022848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.022848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.022848 (E_RNA)
where:
Base-Base interactions energy: -35.151
where: short stacking energy: -29.281
Base-Backbone interact. energy: 0.941
local terms energy: -48.812768
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -7.914
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -4.583
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: 448
Temperature: 1.350000
Total energy: -71.394932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.394932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.394932 (E_RNA)
where:
Base-Base interactions energy: -20.927
where: short stacking energy: -20.927
Base-Backbone interact. energy: -0.108
local terms energy: -50.360299
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: 0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -212.796379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.796379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.796379 (E_RNA)
where:
Base-Base interactions energy: -146.118
where: short stacking energy: -61.096
Base-Backbone interact. energy: -0.040
local terms energy: -66.637474
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -168.591384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.591384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.591384 (E_RNA)
where:
Base-Base interactions energy: -100.084
where: short stacking energy: -64.019
Base-Backbone interact. energy: 0.419
local terms energy: -68.926007
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -192.527296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.527296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.527296 (E_RNA)
where:
Base-Base interactions energy: -121.451
where: short stacking energy: -61.939
Base-Backbone interact. energy: -0.354
local terms energy: -70.722217
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -187.780679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.780679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.780679 (E_RNA)
where:
Base-Base interactions energy: -120.028
where: short stacking energy: -67.153
Base-Backbone interact. energy: -0.050
local terms energy: -67.702425
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -156.113768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.113768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.113768 (E_RNA)
where:
Base-Base interactions energy: -94.189
where: short stacking energy: -44.841
Base-Backbone interact. energy: -0.043
local terms energy: -61.881192
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -162.097806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.097806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.097806 (E_RNA)
where:
Base-Base interactions energy: -100.921
where: short stacking energy: -45.311
Base-Backbone interact. energy: -0.310
local terms energy: -60.866404
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -112.677467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.677467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.677467 (E_RNA)
where:
Base-Base interactions energy: -52.317
where: short stacking energy: -52.232
Base-Backbone interact. energy: -0.021
local terms energy: -60.338949
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.554
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: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -89.581611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.581611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.581611 (E_RNA)
where:
Base-Base interactions energy: -30.598
where: short stacking energy: -29.743
Base-Backbone interact. energy: -0.828
local terms energy: -58.155555
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -74.533447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.533447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.533447 (E_RNA)
where:
Base-Base interactions energy: -36.727
where: short stacking energy: -31.717
Base-Backbone interact. energy: -0.145
local terms energy: -37.661106
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -85.145843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.145843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.145843 (E_RNA)
where:
Base-Base interactions energy: -48.434
where: short stacking energy: -36.794
Base-Backbone interact. energy: -0.338
local terms energy: -36.373799
where:
bonds (distance) C4'-P energy: -7.714
bonds (distance) P-C4' energy: -9.943
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: 0.059
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: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -184.429185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.429185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.429185 (E_RNA)
where:
Base-Base interactions energy: -119.755
where: short stacking energy: -53.021
Base-Backbone interact. energy: 1.693
local terms energy: -66.367055
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -215.077351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.077351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.077351 (E_RNA)
where:
Base-Base interactions energy: -146.273
where: short stacking energy: -62.567
Base-Backbone interact. energy: -0.010
local terms energy: -68.794434
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -198.916691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.916691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.916691 (E_RNA)
where:
Base-Base interactions energy: -131.386
where: short stacking energy: -65.274
Base-Backbone interact. energy: -0.472
local terms energy: -67.058073
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -10.578
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: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -165.569111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.569111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.569111 (E_RNA)
where:
Base-Base interactions energy: -98.442
where: short stacking energy: -56.642
Base-Backbone interact. energy: -0.101
local terms energy: -67.026024
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -7.995
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: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -158.474737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.474737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.474737 (E_RNA)
where:
Base-Base interactions energy: -94.298
where: short stacking energy: -45.776
Base-Backbone interact. energy: -0.253
local terms energy: -63.923574
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -10.217
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: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -152.943242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.943242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.943242 (E_RNA)
where:
Base-Base interactions energy: -92.124
where: short stacking energy: -47.351
Base-Backbone interact. energy: -0.151
local terms energy: -60.669100
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -11.487
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: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -115.576335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.576335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.576335 (E_RNA)
where:
Base-Base interactions energy: -62.997
where: short stacking energy: -38.873
Base-Backbone interact. energy: -0.019
local terms energy: -52.560644
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -89.509324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.509324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.509324 (E_RNA)
where:
Base-Base interactions energy: -27.837
where: short stacking energy: -27.610
Base-Backbone interact. energy: -0.345
local terms energy: -61.327005
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -81.117946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.117946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.117946 (E_RNA)
where:
Base-Base interactions energy: -42.007
where: short stacking energy: -29.834
Base-Backbone interact. energy: 0.269
local terms energy: -39.380435
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -9.375
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -7.886
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: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -79.985246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.985246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.985246 (E_RNA)
where:
Base-Base interactions energy: -29.785
where: short stacking energy: -27.438
Base-Backbone interact. energy: -1.059
local terms energy: -49.140959
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -1.943
tors. eta vs tors. theta energy: -2.766
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: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -195.173435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.173435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.173435 (E_RNA)
where:
Base-Base interactions energy: -115.836
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.123
local terms energy: -79.214086
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -11.094
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: 2, replica: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -204.365798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.365798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.365798 (E_RNA)
where:
Base-Base interactions energy: -130.917
where: short stacking energy: -61.361
Base-Backbone interact. energy: -0.004
local terms energy: -73.444892
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -14.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -176.686154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.686154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.686154 (E_RNA)
where:
Base-Base interactions energy: -113.202
where: short stacking energy: -40.000
Base-Backbone interact. energy: -0.140
local terms energy: -63.343573
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -9.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -164.912250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.912250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.912250 (E_RNA)
where:
Base-Base interactions energy: -108.206
where: short stacking energy: -52.079
Base-Backbone interact. energy: -0.653
local terms energy: -56.053776
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -1.906
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -176.417839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.417839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.417839 (E_RNA)
where:
Base-Base interactions energy: -104.223
where: short stacking energy: -52.353
Base-Backbone interact. energy: 0.580
local terms energy: -72.774942
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -14.036
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: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -142.448125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.448125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.448125 (E_RNA)
where:
Base-Base interactions energy: -86.436
where: short stacking energy: -43.079
Base-Backbone interact. energy: -0.828
local terms energy: -55.184665
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -9.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -98.673825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.673825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.673825 (E_RNA)
where:
Base-Base interactions energy: -38.181
where: short stacking energy: -34.921
Base-Backbone interact. energy: -0.255
local terms energy: -60.238003
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -97.939837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.939837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.939837 (E_RNA)
where:
Base-Base interactions energy: -46.652
where: short stacking energy: -35.435
Base-Backbone interact. energy: -0.077
local terms energy: -51.211087
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -82.411572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.411572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.411572 (E_RNA)
where:
Base-Base interactions energy: -32.846
where: short stacking energy: -31.460
Base-Backbone interact. energy: -0.017
local terms energy: -49.548586
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -9.005
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -84.243647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.243647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.243647 (E_RNA)
where:
Base-Base interactions energy: -40.214
where: short stacking energy: -37.631
Base-Backbone interact. energy: -0.138
local terms energy: -43.891657
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -7.602
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.433
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: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -209.737231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.737231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.737231 (E_RNA)
where:
Base-Base interactions energy: -135.070
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.035
local terms energy: -74.632185
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -19.177
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: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -184.593788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.593788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.593788 (E_RNA)
where:
Base-Base interactions energy: -115.154
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.263
local terms energy: -69.176821
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -166.817990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.817990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.817990 (E_RNA)
where:
Base-Base interactions energy: -94.099
where: short stacking energy: -53.385
Base-Backbone interact. energy: -0.011
local terms energy: -72.708266
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -176.001002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.001002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.001002 (E_RNA)
where:
Base-Base interactions energy: -112.971
where: short stacking energy: -43.912
Base-Backbone interact. energy: -0.180
local terms energy: -62.850405
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -169.967607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.967607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.967607 (E_RNA)
where:
Base-Base interactions energy: -111.494
where: short stacking energy: -42.016
Base-Backbone interact. energy: -0.061
local terms energy: -58.412517
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -10.445
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: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -148.877074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.877074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.877074 (E_RNA)
where:
Base-Base interactions energy: -92.377
where: short stacking energy: -53.352
Base-Backbone interact. energy: 0.378
local terms energy: -56.878397
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -10.561
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -112.547024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.547024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.547024 (E_RNA)
where:
Base-Base interactions energy: -49.939
where: short stacking energy: -49.939
Base-Backbone interact. energy: -0.022
local terms energy: -62.585772
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -89.630689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.630689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.630689 (E_RNA)
where:
Base-Base interactions energy: -32.228
where: short stacking energy: -29.081
Base-Backbone interact. energy: -0.419
local terms energy: -56.982847
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -85.806564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.806564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.806564 (E_RNA)
where:
Base-Base interactions energy: -31.860
where: short stacking energy: -31.388
Base-Backbone interact. energy: -0.625
local terms energy: -53.321619
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -80.201302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.201302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.201302 (E_RNA)
where:
Base-Base interactions energy: -31.900
where: short stacking energy: -23.708
Base-Backbone interact. energy: -0.839
local terms energy: -47.462039
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -200.101929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.101929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.101929 (E_RNA)
where:
Base-Base interactions energy: -126.495
where: short stacking energy: -68.115
Base-Backbone interact. energy: 0.729
local terms energy: -74.336458
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -17.671
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: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -179.165946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.165946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.165946 (E_RNA)
where:
Base-Base interactions energy: -112.188
where: short stacking energy: -51.966
Base-Backbone interact. energy: -0.309
local terms energy: -66.668208
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -166.307441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.307441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.307441 (E_RNA)
where:
Base-Base interactions energy: -100.293
where: short stacking energy: -57.252
Base-Backbone interact. energy: -0.715
local terms energy: -65.299830
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -12.959
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: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -168.554660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.554660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.554660 (E_RNA)
where:
Base-Base interactions energy: -104.087
where: short stacking energy: -42.732
Base-Backbone interact. energy: -0.725
local terms energy: -63.742283
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -8.477
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: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -170.231329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.231329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.231329 (E_RNA)
where:
Base-Base interactions energy: -110.483
where: short stacking energy: -52.547
Base-Backbone interact. energy: -0.074
local terms energy: -59.675143
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -153.627940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.627940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.627940 (E_RNA)
where:
Base-Base interactions energy: -90.733
where: short stacking energy: -37.073
Base-Backbone interact. energy: 1.343
local terms energy: -64.237768
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -101.778785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.778785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.778785 (E_RNA)
where:
Base-Base interactions energy: -39.366
where: short stacking energy: -35.038
Base-Backbone interact. energy: -0.008
local terms energy: -62.405364
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -6.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -87.808158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.808158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.808158 (E_RNA)
where:
Base-Base interactions energy: -28.336
where: short stacking energy: -28.197
Base-Backbone interact. energy: 0.910
local terms energy: -60.381695
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -85.509462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.509462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.509462 (E_RNA)
where:
Base-Base interactions energy: -38.205
where: short stacking energy: -32.484
Base-Backbone interact. energy: 0.873
local terms energy: -48.176859
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.966
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: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -77.085572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.085572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.085572 (E_RNA)
where:
Base-Base interactions energy: -24.675
where: short stacking energy: -24.675
Base-Backbone interact. energy: -0.036
local terms energy: -52.374802
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -7.662
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: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -212.300323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.300323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.300323 (E_RNA)
where:
Base-Base interactions energy: -138.438
where: short stacking energy: -65.281
Base-Backbone interact. energy: -0.347
local terms energy: -73.515395
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -198.868164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.868164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.868164 (E_RNA)
where:
Base-Base interactions energy: -126.502
where: short stacking energy: -58.905
Base-Backbone interact. energy: -0.054
local terms energy: -72.311994
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -14.489
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: 454
Temperature: 1.000000
Total energy: -180.168511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.168511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.168511 (E_RNA)
where:
Base-Base interactions energy: -108.249
where: short stacking energy: -61.971
Base-Backbone interact. energy: -0.100
local terms energy: -71.819727
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -166.471776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.471776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.471776 (E_RNA)
where:
Base-Base interactions energy: -103.208
where: short stacking energy: -40.782
Base-Backbone interact. energy: -0.746
local terms energy: -62.518011
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -156.848052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.848052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.848052 (E_RNA)
where:
Base-Base interactions energy: -90.922
where: short stacking energy: -37.645
Base-Backbone interact. energy: -0.001
local terms energy: -65.925168
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -13.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -160.553826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.553826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.553826 (E_RNA)
where:
Base-Base interactions energy: -93.965
where: short stacking energy: -37.487
Base-Backbone interact. energy: -0.202
local terms energy: -66.386492
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -89.002971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.002971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.002971 (E_RNA)
where:
Base-Base interactions energy: -43.211
where: short stacking energy: -30.831
Base-Backbone interact. energy: -0.116
local terms energy: -45.675289
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -99.075563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.075563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.075563 (E_RNA)
where:
Base-Base interactions energy: -46.575
where: short stacking energy: -35.009
Base-Backbone interact. energy: -0.159
local terms energy: -52.342210
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -7.197
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: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -76.525133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.525133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.525133 (E_RNA)
where:
Base-Base interactions energy: -35.398
where: short stacking energy: -35.398
Base-Backbone interact. energy: -0.063
local terms energy: -41.064701
where:
bonds (distance) C4'-P energy: -8.384
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: 0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -89.917510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.917510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.917510 (E_RNA)
where:
Base-Base interactions energy: -33.909
where: short stacking energy: -31.083
Base-Backbone interact. energy: 0.983
local terms energy: -56.990845
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -215.553149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.553149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.553149 (E_RNA)
where:
Base-Base interactions energy: -136.519
where: short stacking energy: -72.052
Base-Backbone interact. energy: -0.102
local terms energy: -78.932818
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -201.038360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.038360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.038360 (E_RNA)
where:
Base-Base interactions energy: -128.423
where: short stacking energy: -60.351
Base-Backbone interact. energy: -0.271
local terms energy: -72.344182
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -9.656
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: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -180.655768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.655768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.655768 (E_RNA)
where:
Base-Base interactions energy: -110.316
where: short stacking energy: -66.722
Base-Backbone interact. energy: -0.011
local terms energy: -70.329049
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -170.657162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.657162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.657162 (E_RNA)
where:
Base-Base interactions energy: -113.803
where: short stacking energy: -46.301
Base-Backbone interact. energy: -0.828
local terms energy: -56.025881
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -191.350350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.350350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.350350 (E_RNA)
where:
Base-Base interactions energy: -121.390
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.313
local terms energy: -69.646614
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -158.320759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.320759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.320759 (E_RNA)
where:
Base-Base interactions energy: -104.698
where: short stacking energy: -41.526
Base-Backbone interact. energy: -0.438
local terms energy: -53.184421
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -96.968021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.968021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.968021 (E_RNA)
where:
Base-Base interactions energy: -42.689
where: short stacking energy: -42.689
Base-Backbone interact. energy: -0.099
local terms energy: -54.179480
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -10.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -102.059848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.059848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.059848 (E_RNA)
where:
Base-Base interactions energy: -50.332
where: short stacking energy: -26.023
Base-Backbone interact. energy: -0.145
local terms energy: -51.582892
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -3.978
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: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -90.309611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.309611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.309611 (E_RNA)
where:
Base-Base interactions energy: -35.780
where: short stacking energy: -29.801
Base-Backbone interact. energy: 0.771
local terms energy: -55.300330
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -90.803596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.803596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.803596 (E_RNA)
where:
Base-Base interactions energy: -37.894
where: short stacking energy: -37.530
Base-Backbone interact. energy: -0.053
local terms energy: -52.856295
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -205.022979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.022979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.022979 (E_RNA)
where:
Base-Base interactions energy: -139.554
where: short stacking energy: -53.162
Base-Backbone interact. energy: -0.105
local terms energy: -65.363895
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -11.498
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: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -196.532211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.532211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.532211 (E_RNA)
where:
Base-Base interactions energy: -130.125
where: short stacking energy: -55.696
Base-Backbone interact. energy: -0.086
local terms energy: -66.320697
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -8.381
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: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -175.433739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.433739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.433739 (E_RNA)
where:
Base-Base interactions energy: -104.217
where: short stacking energy: -64.438
Base-Backbone interact. energy: -0.291
local terms energy: -70.925813
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -10.390
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: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -196.568775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.568775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.568775 (E_RNA)
where:
Base-Base interactions energy: -135.210
where: short stacking energy: -58.513
Base-Backbone interact. energy: -0.238
local terms energy: -61.120976
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -163.209587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.209587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.209587 (E_RNA)
where:
Base-Base interactions energy: -100.687
where: short stacking energy: -54.945
Base-Backbone interact. energy: -0.002
local terms energy: -62.520475
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -176.140026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.140026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.140026 (E_RNA)
where:
Base-Base interactions energy: -127.594
where: short stacking energy: -54.243
Base-Backbone interact. energy: -0.105
local terms energy: -48.441862
where:
bonds (distance) C4'-P energy: -6.227
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -99.999587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.999587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.999587 (E_RNA)
where:
Base-Base interactions energy: -51.519
where: short stacking energy: -30.489
Base-Backbone interact. energy: -0.162
local terms energy: -48.318753
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -94.316221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.316221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.316221 (E_RNA)
where:
Base-Base interactions energy: -37.804
where: short stacking energy: -32.964
Base-Backbone interact. energy: -0.176
local terms energy: -56.336168
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -95.604083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.604083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.604083 (E_RNA)
where:
Base-Base interactions energy: -50.939
where: short stacking energy: -39.450
Base-Backbone interact. energy: -0.012
local terms energy: -44.652869
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -7.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -86.893880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.893880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.893880 (E_RNA)
where:
Base-Base interactions energy: -34.712
where: short stacking energy: -23.469
Base-Backbone interact. energy: -0.022
local terms energy: -52.159972
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -201.913633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.913633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.913633 (E_RNA)
where:
Base-Base interactions energy: -128.463
where: short stacking energy: -56.823
Base-Backbone interact. energy: -0.004
local terms energy: -73.446852
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -203.556718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.556718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.556718 (E_RNA)
where:
Base-Base interactions energy: -127.327
where: short stacking energy: -60.107
Base-Backbone interact. energy: 0.269
local terms energy: -76.498911
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -11.972
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: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -176.854277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.854277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.854277 (E_RNA)
where:
Base-Base interactions energy: -106.098
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.126
local terms energy: -70.630163
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -168.651682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.651682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.651682 (E_RNA)
where:
Base-Base interactions energy: -107.306
where: short stacking energy: -52.271
Base-Backbone interact. energy: -1.225
local terms energy: -60.121407
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -179.819856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.819856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.819856 (E_RNA)
where:
Base-Base interactions energy: -127.094
where: short stacking energy: -49.914
Base-Backbone interact. energy: -1.683
local terms energy: -51.042780
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -2.201
tors. eta vs tors. theta energy: -8.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -160.661813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.661813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.661813 (E_RNA)
where:
Base-Base interactions energy: -97.568
where: short stacking energy: -47.113
Base-Backbone interact. energy: -0.116
local terms energy: -62.978445
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -11.662
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: 7, replica: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -96.151715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.151715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.151715 (E_RNA)
where:
Base-Base interactions energy: -46.096
where: short stacking energy: -37.689
Base-Backbone interact. energy: -0.146
local terms energy: -49.909663
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -3.963
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: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -86.834513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.834513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.834513 (E_RNA)
where:
Base-Base interactions energy: -38.573
where: short stacking energy: -23.869
Base-Backbone interact. energy: -0.788
local terms energy: -47.473263
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -87.001084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.001084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.001084 (E_RNA)
where:
Base-Base interactions energy: -30.594
where: short stacking energy: -27.352
Base-Backbone interact. energy: -0.682
local terms energy: -55.725286
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -80.978625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.978625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.978625 (E_RNA)
where:
Base-Base interactions energy: -30.779
where: short stacking energy: -30.304
Base-Backbone interact. energy: -0.094
local terms energy: -50.105628
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -206.895011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.895011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.895011 (E_RNA)
where:
Base-Base interactions energy: -132.997
where: short stacking energy: -53.347
Base-Backbone interact. energy: -0.413
local terms energy: -73.484578
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -191.276364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.276364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.276364 (E_RNA)
where:
Base-Base interactions energy: -126.581
where: short stacking energy: -63.280
Base-Backbone interact. energy: -1.239
local terms energy: -63.456117
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -181.358965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.358965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.358965 (E_RNA)
where:
Base-Base interactions energy: -116.283
where: short stacking energy: -56.553
Base-Backbone interact. energy: -0.004
local terms energy: -65.072611
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -166.971740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.971740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.971740 (E_RNA)
where:
Base-Base interactions energy: -110.365
where: short stacking energy: -55.967
Base-Backbone interact. energy: 0.374
local terms energy: -56.981220
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -6.756
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -171.359278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.359278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.359278 (E_RNA)
where:
Base-Base interactions energy: -107.565
where: short stacking energy: -51.587
Base-Backbone interact. energy: -0.147
local terms energy: -63.647611
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -148.623929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.623929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.623929 (E_RNA)
where:
Base-Base interactions energy: -93.453
where: short stacking energy: -40.623
Base-Backbone interact. energy: -0.403
local terms energy: -54.767458
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -9.364
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: 7, replica: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -100.480868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.480868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.480868 (E_RNA)
where:
Base-Base interactions energy: -53.778
where: short stacking energy: -35.163
Base-Backbone interact. energy: -0.041
local terms energy: -46.662200
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -5.757
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: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -89.084771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.084771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.084771 (E_RNA)
where:
Base-Base interactions energy: -37.155
where: short stacking energy: -30.787
Base-Backbone interact. energy: -0.094
local terms energy: -51.835719
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -82.870421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.870421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.870421 (E_RNA)
where:
Base-Base interactions energy: -28.983
where: short stacking energy: -28.983
Base-Backbone interact. energy: -0.169
local terms energy: -53.718264
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -75.863662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.863662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.863662 (E_RNA)
where:
Base-Base interactions energy: -27.672
where: short stacking energy: -26.973
Base-Backbone interact. energy: -0.774
local terms energy: -47.417699
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: 1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -206.838086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.838086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.838086 (E_RNA)
where:
Base-Base interactions energy: -134.549
where: short stacking energy: -64.291
Base-Backbone interact. energy: -0.089
local terms energy: -72.200198
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -17.543
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: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -182.546129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.546129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.546129 (E_RNA)
where:
Base-Base interactions energy: -112.171
where: short stacking energy: -49.416
Base-Backbone interact. energy: -0.546
local terms energy: -69.829982
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -213.200281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.200281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.200281 (E_RNA)
where:
Base-Base interactions energy: -133.195
where: short stacking energy: -70.330
Base-Backbone interact. energy: -0.104
local terms energy: -79.901494
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -21.348
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: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -201.295512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.295512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.295512 (E_RNA)
where:
Base-Base interactions energy: -124.364
where: short stacking energy: -54.992
Base-Backbone interact. energy: 0.588
local terms energy: -77.518604
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -12.684
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: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -109.428545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.428545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.428545 (E_RNA)
where:
Base-Base interactions energy: -49.970
where: short stacking energy: -37.602
Base-Backbone interact. energy: -0.499
local terms energy: -58.959776
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -153.256340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.256340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.256340 (E_RNA)
where:
Base-Base interactions energy: -108.362
where: short stacking energy: -37.608
Base-Backbone interact. energy: -0.399
local terms energy: -44.495692
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -3.394
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -98.683090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.683090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.683090 (E_RNA)
where:
Base-Base interactions energy: -37.176
where: short stacking energy: -29.563
Base-Backbone interact. energy: -0.666
local terms energy: -60.840571
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -83.239258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.239258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.239258 (E_RNA)
where:
Base-Base interactions energy: -42.980
where: short stacking energy: -32.609
Base-Backbone interact. energy: -0.181
local terms energy: -40.077558
where:
bonds (distance) C4'-P energy: -1.120
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -1.542
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: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -90.509781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.509781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.509781 (E_RNA)
where:
Base-Base interactions energy: -40.718
where: short stacking energy: -37.017
Base-Backbone interact. energy: -0.299
local terms energy: -49.492254
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -79.502311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.502311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.502311 (E_RNA)
where:
Base-Base interactions energy: -33.772
where: short stacking energy: -26.634
Base-Backbone interact. energy: -0.226
local terms energy: -45.504370
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -2.702
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: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -185.215199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.215199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.215199 (E_RNA)
where:
Base-Base interactions energy: -111.796
where: short stacking energy: -56.665
Base-Backbone interact. energy: -0.059
local terms energy: -73.360587
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -205.376832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.376832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.376832 (E_RNA)
where:
Base-Base interactions energy: -136.941
where: short stacking energy: -65.205
Base-Backbone interact. energy: -0.005
local terms energy: -68.430835
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -191.391090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.391090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.391090 (E_RNA)
where:
Base-Base interactions energy: -122.546
where: short stacking energy: -56.995
Base-Backbone interact. energy: -0.150
local terms energy: -68.695045
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -175.624450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.624450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.624450 (E_RNA)
where:
Base-Base interactions energy: -109.704
where: short stacking energy: -46.834
Base-Backbone interact. energy: -0.048
local terms energy: -65.872924
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -152.161417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.161417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.161417 (E_RNA)
where:
Base-Base interactions energy: -93.245
where: short stacking energy: -45.311
Base-Backbone interact. energy: -0.304
local terms energy: -58.611972
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -6.135
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: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -100.115492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.115492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.115492 (E_RNA)
where:
Base-Base interactions energy: -49.650
where: short stacking energy: -37.363
Base-Backbone interact. energy: -0.650
local terms energy: -49.815615
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -0.732
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: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -89.859908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.859908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.859908 (E_RNA)
where:
Base-Base interactions energy: -39.767
where: short stacking energy: -39.767
Base-Backbone interact. energy: -0.008
local terms energy: -50.085132
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -5.875
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: 8, replica: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -87.951394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.951394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.951394 (E_RNA)
where:
Base-Base interactions energy: -29.448
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.966
local terms energy: -57.536977
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -75.306978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.306978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.306978 (E_RNA)
where:
Base-Base interactions energy: -25.050
where: short stacking energy: -21.291
Base-Backbone interact. energy: -0.350
local terms energy: -49.907294
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: 2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -82.984197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.984197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.984197 (E_RNA)
where:
Base-Base interactions energy: -37.026
where: short stacking energy: -29.379
Base-Backbone interact. energy: -0.126
local terms energy: -45.831580
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -199.492417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.492417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.492417 (E_RNA)
where:
Base-Base interactions energy: -127.499
where: short stacking energy: -59.077
Base-Backbone interact. energy: -0.932
local terms energy: -71.061201
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -189.366188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.366188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.366188 (E_RNA)
where:
Base-Base interactions energy: -120.175
where: short stacking energy: -52.878
Base-Backbone interact. energy: -0.258
local terms energy: -68.933246
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -189.588910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.588910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.588910 (E_RNA)
where:
Base-Base interactions energy: -120.308
where: short stacking energy: -53.452
Base-Backbone interact. energy: -0.023
local terms energy: -69.257670
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -13.927
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: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -165.814245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.814245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.814245 (E_RNA)
where:
Base-Base interactions energy: -99.543
where: short stacking energy: -49.209
Base-Backbone interact. energy: -0.073
local terms energy: -66.199056
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -10.234
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: 5, replica: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -172.205235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.205235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.205235 (E_RNA)
where:
Base-Base interactions energy: -112.190
where: short stacking energy: -59.534
Base-Backbone interact. energy: 0.118
local terms energy: -60.132910
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -5.004
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: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -98.748859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.748859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.748859 (E_RNA)
where:
Base-Base interactions energy: -44.741
where: short stacking energy: -35.926
Base-Backbone interact. energy: -0.041
local terms energy: -53.966730
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -92.291642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.291642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.291642 (E_RNA)
where:
Base-Base interactions energy: -30.051
where: short stacking energy: -30.951
Base-Backbone interact. energy: -0.269
local terms energy: -61.971291
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -82.768032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.768032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.768032 (E_RNA)
where:
Base-Base interactions energy: -30.489
where: short stacking energy: -30.159
Base-Backbone interact. energy: -0.133
local terms energy: -52.146405
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -80.698704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.698704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.698704 (E_RNA)
where:
Base-Base interactions energy: -35.569
where: short stacking energy: -31.366
Base-Backbone interact. energy: -0.643
local terms energy: -44.486530
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -7.023
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -4.648
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: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -79.642564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.642564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.642564 (E_RNA)
where:
Base-Base interactions energy: -27.673
where: short stacking energy: -23.067
Base-Backbone interact. energy: -0.689
local terms energy: -51.281391
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -205.178448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.178448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.178448 (E_RNA)
where:
Base-Base interactions energy: -130.057
where: short stacking energy: -64.332
Base-Backbone interact. energy: -0.582
local terms energy: -74.538935
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -200.462496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.462496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.462496 (E_RNA)
where:
Base-Base interactions energy: -131.367
where: short stacking energy: -60.565
Base-Backbone interact. energy: -0.046
local terms energy: -69.050284
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -12.547
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: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -201.818682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.818682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.818682 (E_RNA)
where:
Base-Base interactions energy: -136.630
where: short stacking energy: -56.419
Base-Backbone interact. energy: -0.168
local terms energy: -65.020257
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -11.136
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: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -160.337757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.337757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.337757 (E_RNA)
where:
Base-Base interactions energy: -95.423
where: short stacking energy: -42.650
Base-Backbone interact. energy: -0.674
local terms energy: -64.240347
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -176.311221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.311221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.311221 (E_RNA)
where:
Base-Base interactions energy: -111.430
where: short stacking energy: -52.103
Base-Backbone interact. energy: -0.056
local terms energy: -64.824673
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -11.659
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: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -101.553561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.553561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.553561 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -37.574
Base-Backbone interact. energy: -0.099
local terms energy: -63.880134
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -7.531
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: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -93.224440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.224440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.224440 (E_RNA)
where:
Base-Base interactions energy: -37.948
where: short stacking energy: -37.640
Base-Backbone interact. energy: -0.031
local terms energy: -55.245409
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -93.657586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.657586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.657586 (E_RNA)
where:
Base-Base interactions energy: -48.935
where: short stacking energy: -31.112
Base-Backbone interact. energy: -0.042
local terms energy: -44.680554
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -82.855174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.855174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.855174 (E_RNA)
where:
Base-Base interactions energy: -32.741
where: short stacking energy: -19.235
Base-Backbone interact. energy: -0.105
local terms energy: -50.009190
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -99.770329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.770329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.770329 (E_RNA)
where:
Base-Base interactions energy: -50.073
where: short stacking energy: -22.910
Base-Backbone interact. energy: 2.891
local terms energy: -52.587907
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -3.310
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: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -197.556664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.556664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.556664 (E_RNA)
where:
Base-Base interactions energy: -134.899
where: short stacking energy: -61.391
Base-Backbone interact. energy: -0.045
local terms energy: -62.612141
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -11.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -202.523936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.523936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.523936 (E_RNA)
where:
Base-Base interactions energy: -135.827
where: short stacking energy: -51.202
Base-Backbone interact. energy: -0.007
local terms energy: -66.689628
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -199.583888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.583888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.583888 (E_RNA)
where:
Base-Base interactions energy: -132.569
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.061
local terms energy: -66.954505
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -178.495032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.495032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.495032 (E_RNA)
where:
Base-Base interactions energy: -116.643
where: short stacking energy: -61.540
Base-Backbone interact. energy: -0.099
local terms energy: -61.753211
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -170.799131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.799131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.799131 (E_RNA)
where:
Base-Base interactions energy: -102.970
where: short stacking energy: -55.181
Base-Backbone interact. energy: -0.122
local terms energy: -67.707454
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -98.434269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.434269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.434269 (E_RNA)
where:
Base-Base interactions energy: -38.975
where: short stacking energy: -25.898
Base-Backbone interact. energy: -0.094
local terms energy: -59.365527
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -93.641642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.641642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.641642 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -33.545
Base-Backbone interact. energy: -0.092
local terms energy: -57.016758
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -89.862670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.862670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.862670 (E_RNA)
where:
Base-Base interactions energy: -39.892
where: short stacking energy: -39.146
Base-Backbone interact. energy: 1.260
local terms energy: -51.230567
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -8.444
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -95.519437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.519437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.519437 (E_RNA)
where:
Base-Base interactions energy: -39.304
where: short stacking energy: -34.997
Base-Backbone interact. energy: -0.096
local terms energy: -56.119487
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -102.948264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.948264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.948264 (E_RNA)
where:
Base-Base interactions energy: -56.112
where: short stacking energy: -29.293
Base-Backbone interact. energy: 0.922
local terms energy: -47.758955
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -208.967948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.967948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.967948 (E_RNA)
where:
Base-Base interactions energy: -137.714
where: short stacking energy: -62.688
Base-Backbone interact. energy: -0.101
local terms energy: -71.152302
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -15.875
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: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -201.764105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.764105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.764105 (E_RNA)
where:
Base-Base interactions energy: -129.777
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.244
local terms energy: -71.743231
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -177.362475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.362475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.362475 (E_RNA)
where:
Base-Base interactions energy: -106.803
where: short stacking energy: -56.982
Base-Backbone interact. energy: 0.556
local terms energy: -71.115024
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -185.319317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.319317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.319317 (E_RNA)
where:
Base-Base interactions energy: -117.511
where: short stacking energy: -52.859
Base-Backbone interact. energy: 0.032
local terms energy: -67.840157
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -13.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -143.783830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.783830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.783830 (E_RNA)
where:
Base-Base interactions energy: -79.766
where: short stacking energy: -47.653
Base-Backbone interact. energy: -0.106
local terms energy: -63.912457
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -181.984320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.984320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.984320 (E_RNA)
where:
Base-Base interactions energy: -111.836
where: short stacking energy: -58.503
Base-Backbone interact. energy: -0.097
local terms energy: -70.050997
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -89.353926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.353926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.353926 (E_RNA)
where:
Base-Base interactions energy: -34.315
where: short stacking energy: -30.477
Base-Backbone interact. energy: 0.698
local terms energy: -55.737085
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -99.502375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.502375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.502375 (E_RNA)
where:
Base-Base interactions energy: -55.229
where: short stacking energy: -34.423
Base-Backbone interact. energy: 1.110
local terms energy: -45.383365
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -7.315
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -85.695520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.695520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.695520 (E_RNA)
where:
Base-Base interactions energy: -40.848
where: short stacking energy: -35.647
Base-Backbone interact. energy: -0.334
local terms energy: -44.514008
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -2.769
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: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -83.794083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.794083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.794083 (E_RNA)
where:
Base-Base interactions energy: -45.896
where: short stacking energy: -33.878
Base-Backbone interact. energy: -0.046
local terms energy: -37.852551
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: 1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -211.910356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.910356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.910356 (E_RNA)
where:
Base-Base interactions energy: -143.851
where: short stacking energy: -58.487
Base-Backbone interact. energy: 0.897
local terms energy: -68.956474
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -13.802
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: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -174.511006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.511006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.511006 (E_RNA)
where:
Base-Base interactions energy: -112.466
where: short stacking energy: -52.092
Base-Backbone interact. energy: 1.481
local terms energy: -63.525554
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -10.176
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: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -189.984169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.984169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.984169 (E_RNA)
where:
Base-Base interactions energy: -125.494
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.409
local terms energy: -64.080256
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -153.910414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.910414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.910414 (E_RNA)
where:
Base-Base interactions energy: -98.735
where: short stacking energy: -44.837
Base-Backbone interact. energy: -0.354
local terms energy: -54.821132
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -9.016
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: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -181.189496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.189496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.189496 (E_RNA)
where:
Base-Base interactions energy: -112.940
where: short stacking energy: -60.312
Base-Backbone interact. energy: -0.203
local terms energy: -68.047335
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -7.425
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -14.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -151.186857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.186857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.186857 (E_RNA)
where:
Base-Base interactions energy: -87.872
where: short stacking energy: -42.944
Base-Backbone interact. energy: -1.081
local terms energy: -62.233775
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -7.871
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: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -95.620232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.620232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.620232 (E_RNA)
where:
Base-Base interactions energy: -42.206
where: short stacking energy: -41.267
Base-Backbone interact. energy: -0.219
local terms energy: -53.195379
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -7.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -85.038632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.038632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.038632 (E_RNA)
where:
Base-Base interactions energy: -36.285
where: short stacking energy: -36.285
Base-Backbone interact. energy: -0.107
local terms energy: -48.646148
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.519
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: 9, replica: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -89.766587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.766587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.766587 (E_RNA)
where:
Base-Base interactions energy: -36.273
where: short stacking energy: -33.854
Base-Backbone interact. energy: -0.208
local terms energy: -53.285206
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -100.257014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.257014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.257014 (E_RNA)
where:
Base-Base interactions energy: -35.295
where: short stacking energy: -35.295
Base-Backbone interact. energy: -0.003
local terms energy: -64.958849
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -204.912285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.912285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.912285 (E_RNA)
where:
Base-Base interactions energy: -141.652
where: short stacking energy: -54.037
Base-Backbone interact. energy: 0.126
local terms energy: -63.387047
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -168.216834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.216834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.216834 (E_RNA)
where:
Base-Base interactions energy: -97.096
where: short stacking energy: -48.566
Base-Backbone interact. energy: -0.035
local terms energy: -71.085680
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -9.719
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: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -161.754323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.754323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.754323 (E_RNA)
where:
Base-Base interactions energy: -98.990
where: short stacking energy: -51.277
Base-Backbone interact. energy: -0.965
local terms energy: -61.799617
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -6.757
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: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -184.193072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.193072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.193072 (E_RNA)
where:
Base-Base interactions energy: -117.201
where: short stacking energy: -47.926
Base-Backbone interact. energy: -0.044
local terms energy: -66.947480
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -155.597932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.597932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.597932 (E_RNA)
where:
Base-Base interactions energy: -93.815
where: short stacking energy: -47.773
Base-Backbone interact. energy: -0.734
local terms energy: -61.048302
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -158.837786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.837786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.837786 (E_RNA)
where:
Base-Base interactions energy: -97.470
where: short stacking energy: -53.722
Base-Backbone interact. energy: -0.077
local terms energy: -61.290533
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -96.556275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.556275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.556275 (E_RNA)
where:
Base-Base interactions energy: -38.134
where: short stacking energy: -38.134
Base-Backbone interact. energy: -0.287
local terms energy: -58.135705
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -5.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -87.191720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.191720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.191720 (E_RNA)
where:
Base-Base interactions energy: -40.986
where: short stacking energy: -24.667
Base-Backbone interact. energy: 0.333
local terms energy: -46.538622
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: 0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -84.088295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.088295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.088295 (E_RNA)
where:
Base-Base interactions energy: -37.178
where: short stacking energy: -37.178
Base-Backbone interact. energy: -0.103
local terms energy: -46.806621
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -6.596
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -88.165109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.165109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.165109 (E_RNA)
where:
Base-Base interactions energy: -34.886
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.187
local terms energy: -53.092109
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -7.049
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: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -202.713033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.713033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.713033 (E_RNA)
where:
Base-Base interactions energy: -133.955
where: short stacking energy: -69.850
Base-Backbone interact. energy: -0.011
local terms energy: -68.746342
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -196.607581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.607581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.607581 (E_RNA)
where:
Base-Base interactions energy: -133.148
where: short stacking energy: -66.327
Base-Backbone interact. energy: -0.127
local terms energy: -63.332388
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -11.062
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: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -181.130911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.130911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.130911 (E_RNA)
where:
Base-Base interactions energy: -114.145
where: short stacking energy: -54.683
Base-Backbone interact. energy: -0.152
local terms energy: -66.833392
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -168.282602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.282602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.282602 (E_RNA)
where:
Base-Base interactions energy: -99.982
where: short stacking energy: -62.799
Base-Backbone interact. energy: -0.007
local terms energy: -68.293743
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -175.637817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.637817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.637817 (E_RNA)
where:
Base-Base interactions energy: -119.147
where: short stacking energy: -46.256
Base-Backbone interact. energy: -0.010
local terms energy: -56.481258
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -155.415027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.415027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.415027 (E_RNA)
where:
Base-Base interactions energy: -97.652
where: short stacking energy: -47.007
Base-Backbone interact. energy: -0.009
local terms energy: -57.754324
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -116.320319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.320319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.320319 (E_RNA)
where:
Base-Base interactions energy: -73.065
where: short stacking energy: -36.355
Base-Backbone interact. energy: 0.381
local terms energy: -43.636360
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -82.587410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.587410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.587410 (E_RNA)
where:
Base-Base interactions energy: -29.872
where: short stacking energy: -21.627
Base-Backbone interact. energy: -0.601
local terms energy: -52.114552
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -9.020
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: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -87.759385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.759385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.759385 (E_RNA)
where:
Base-Base interactions energy: -36.818
where: short stacking energy: -32.576
Base-Backbone interact. energy: -0.473
local terms energy: -50.468695
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -12.043
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: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -79.633555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.633555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.633555 (E_RNA)
where:
Base-Base interactions energy: -30.275
where: short stacking energy: -18.882
Base-Backbone interact. energy: -1.651
local terms energy: -47.706884
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -205.161419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.161419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.161419 (E_RNA)
where:
Base-Base interactions energy: -142.943
where: short stacking energy: -62.321
Base-Backbone interact. energy: -0.003
local terms energy: -62.216382
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -208.441321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.441321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.441321 (E_RNA)
where:
Base-Base interactions energy: -134.393
where: short stacking energy: -62.568
Base-Backbone interact. energy: -0.022
local terms energy: -74.025997
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -169.174158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.174158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.174158 (E_RNA)
where:
Base-Base interactions energy: -97.382
where: short stacking energy: -60.899
Base-Backbone interact. energy: 0.002
local terms energy: -71.793940
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -16.754
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: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -182.520980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.520980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.520980 (E_RNA)
where:
Base-Base interactions energy: -108.385
where: short stacking energy: -47.060
Base-Backbone interact. energy: -0.438
local terms energy: -73.697471
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -164.769248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.769248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.769248 (E_RNA)
where:
Base-Base interactions energy: -91.923
where: short stacking energy: -51.570
Base-Backbone interact. energy: -0.324
local terms energy: -72.522352
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -128.478073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.478073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.478073 (E_RNA)
where:
Base-Base interactions energy: -74.317
where: short stacking energy: -36.693
Base-Backbone interact. energy: -1.644
local terms energy: -52.517355
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -9.142
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: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -102.209817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.209817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.209817 (E_RNA)
where:
Base-Base interactions energy: -48.244
where: short stacking energy: -28.698
Base-Backbone interact. energy: 0.047
local terms energy: -54.012434
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -8.099
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: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -89.481441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.481441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.481441 (E_RNA)
where:
Base-Base interactions energy: -36.532
where: short stacking energy: -33.488
Base-Backbone interact. energy: -0.289
local terms energy: -52.660854
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -95.247195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.247195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.247195 (E_RNA)
where:
Base-Base interactions energy: -56.149
where: short stacking energy: -37.455
Base-Backbone interact. energy: 0.782
local terms energy: -39.879722
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -90.972844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.972844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.972844 (E_RNA)
where:
Base-Base interactions energy: -36.969
where: short stacking energy: -33.146
Base-Backbone interact. energy: -0.281
local terms energy: -53.723009
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -204.513418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.513418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.513418 (E_RNA)
where:
Base-Base interactions energy: -132.101
where: short stacking energy: -52.380
Base-Backbone interact. energy: 0.276
local terms energy: -72.688387
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -19.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -205.514494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.514494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.514494 (E_RNA)
where:
Base-Base interactions energy: -129.402
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.602
local terms energy: -75.510537
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -199.787742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.787742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.787742 (E_RNA)
where:
Base-Base interactions energy: -133.372
where: short stacking energy: -53.831
Base-Backbone interact. energy: -0.385
local terms energy: -66.030226
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -8.656
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: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -169.868171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.868171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.868171 (E_RNA)
where:
Base-Base interactions energy: -107.012
where: short stacking energy: -47.572
Base-Backbone interact. energy: -0.955
local terms energy: -61.901376
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -156.015536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.015536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.015536 (E_RNA)
where:
Base-Base interactions energy: -86.445
where: short stacking energy: -56.158
Base-Backbone interact. energy: -0.704
local terms energy: -68.866508
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -10.735
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: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -166.508753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.508753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.508753 (E_RNA)
where:
Base-Base interactions energy: -94.930
where: short stacking energy: -56.465
Base-Backbone interact. energy: -0.091
local terms energy: -71.487802
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -113.400772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.400772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.400772 (E_RNA)
where:
Base-Base interactions energy: -57.047
where: short stacking energy: -48.140
Base-Backbone interact. energy: 1.137
local terms energy: -57.491169
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -13.224
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: 2
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -88.402727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.402727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.402727 (E_RNA)
where:
Base-Base interactions energy: -35.941
where: short stacking energy: -31.411
Base-Backbone interact. energy: -0.210
local terms energy: -52.251421
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -93.729711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.729711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.729711 (E_RNA)
where:
Base-Base interactions energy: -44.707
where: short stacking energy: -28.583
Base-Backbone interact. energy: -0.146
local terms energy: -48.876925
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -4.845
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -76.248605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.248605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.248605 (E_RNA)
where:
Base-Base interactions energy: -32.942
where: short stacking energy: -26.626
Base-Backbone interact. energy: -0.027
local terms energy: -43.280210
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -8.139
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -209.281303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.281303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.281303 (E_RNA)
where:
Base-Base interactions energy: -129.302
where: short stacking energy: -58.191
Base-Backbone interact. energy: -1.103
local terms energy: -78.875522
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -200.022159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.022159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.022159 (E_RNA)
where:
Base-Base interactions energy: -130.155
where: short stacking energy: -67.686
Base-Backbone interact. energy: -0.088
local terms energy: -69.779619
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -9.835
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -192.194081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.194081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.194081 (E_RNA)
where:
Base-Base interactions energy: -125.561
where: short stacking energy: -52.697
Base-Backbone interact. energy: -0.151
local terms energy: -66.481924
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -153.018051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.018051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.018051 (E_RNA)
where:
Base-Base interactions energy: -90.340
where: short stacking energy: -41.050
Base-Backbone interact. energy: -0.177
local terms energy: -62.501062
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -176.107317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.107317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.107317 (E_RNA)
where:
Base-Base interactions energy: -111.325
where: short stacking energy: -53.970
Base-Backbone interact. energy: -0.020
local terms energy: -64.762104
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -11.754
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: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -163.116959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.116959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.116959 (E_RNA)
where:
Base-Base interactions energy: -95.499
where: short stacking energy: -48.742
Base-Backbone interact. energy: -0.010
local terms energy: -67.607395
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -104.245060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.245060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.245060 (E_RNA)
where:
Base-Base interactions energy: -51.945
where: short stacking energy: -30.313
Base-Backbone interact. energy: -0.181
local terms energy: -52.118316
where:
bonds (distance) C4'-P energy: -6.691
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -91.453391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.453391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.453391 (E_RNA)
where:
Base-Base interactions energy: -42.448
where: short stacking energy: -37.491
Base-Backbone interact. energy: -0.727
local terms energy: -48.278715
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -8.296
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -8.512
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: 470
Temperature: 1.300000
Total energy: -85.820210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.820210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.820210 (E_RNA)
where:
Base-Base interactions energy: -38.998
where: short stacking energy: -22.217
Base-Backbone interact. energy: 1.639
local terms energy: -48.461945
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -78.667231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.667231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.667231 (E_RNA)
where:
Base-Base interactions energy: -29.544
where: short stacking energy: -21.804
Base-Backbone interact. energy: 1.671
local terms energy: -50.794373
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -199.047585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.047585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.047585 (E_RNA)
where:
Base-Base interactions energy: -120.080
where: short stacking energy: -58.279
Base-Backbone interact. energy: -1.227
local terms energy: -77.740707
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -9.052
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: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -204.509958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.509958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.509958 (E_RNA)
where:
Base-Base interactions energy: -135.375
where: short stacking energy: -61.673
Base-Backbone interact. energy: 0.250
local terms energy: -69.384510
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -13.597
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: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -190.109253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.109253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.109253 (E_RNA)
where:
Base-Base interactions energy: -124.837
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.102
local terms energy: -65.170274
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -166.681078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.681078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.681078 (E_RNA)
where:
Base-Base interactions energy: -101.204
where: short stacking energy: -50.371
Base-Backbone interact. energy: -0.036
local terms energy: -65.441968
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -161.213108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.213108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.213108 (E_RNA)
where:
Base-Base interactions energy: -102.464
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.052
local terms energy: -58.696470
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -161.156933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.156933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.156933 (E_RNA)
where:
Base-Base interactions energy: -94.712
where: short stacking energy: -52.213
Base-Backbone interact. energy: -0.180
local terms energy: -66.265633
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -17.116
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: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -97.057324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.057324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.057324 (E_RNA)
where:
Base-Base interactions energy: -39.554
where: short stacking energy: -38.181
Base-Backbone interact. energy: -0.155
local terms energy: -57.348040
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -79.846216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.846216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.846216 (E_RNA)
where:
Base-Base interactions energy: -27.055
where: short stacking energy: -15.977
Base-Backbone interact. energy: -0.162
local terms energy: -52.629701
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -10.375
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: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -87.084304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.084304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.084304 (E_RNA)
where:
Base-Base interactions energy: -45.505
where: short stacking energy: -43.439
Base-Backbone interact. energy: -0.434
local terms energy: -41.144649
where:
bonds (distance) C4'-P energy: -6.315
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -3.780
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -74.371624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.371624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.371624 (E_RNA)
where:
Base-Base interactions energy: -28.850
where: short stacking energy: -21.621
Base-Backbone interact. energy: -0.506
local terms energy: -45.015140
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -194.283652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.283652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.283652 (E_RNA)
where:
Base-Base interactions energy: -121.778
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.279
local terms energy: -72.226604
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -204.119160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.119160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.119160 (E_RNA)
where:
Base-Base interactions energy: -123.448
where: short stacking energy: -63.198
Base-Backbone interact. energy: -0.004
local terms energy: -80.667430
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -16.973
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: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -184.860714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.860714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.860714 (E_RNA)
where:
Base-Base interactions energy: -115.869
where: short stacking energy: -53.523
Base-Backbone interact. energy: -0.864
local terms energy: -68.128135
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -160.732072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.732072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.732072 (E_RNA)
where:
Base-Base interactions energy: -102.153
where: short stacking energy: -45.919
Base-Backbone interact. energy: 1.988
local terms energy: -60.567244
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -154.083162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.083162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.083162 (E_RNA)
where:
Base-Base interactions energy: -84.210
where: short stacking energy: -52.242
Base-Backbone interact. energy: -0.001
local terms energy: -69.872824
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -161.948795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.948795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.948795 (E_RNA)
where:
Base-Base interactions energy: -101.297
where: short stacking energy: -48.171
Base-Backbone interact. energy: -0.094
local terms energy: -60.557170
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -9.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -99.500974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.500974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.500974 (E_RNA)
where:
Base-Base interactions energy: -41.164
where: short stacking energy: -32.677
Base-Backbone interact. energy: -0.246
local terms energy: -58.090750
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -7.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -84.565866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.565866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.565866 (E_RNA)
where:
Base-Base interactions energy: -28.310
where: short stacking energy: -28.310
Base-Backbone interact. energy: -0.054
local terms energy: -56.201764
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -89.216125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.216125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.216125 (E_RNA)
where:
Base-Base interactions energy: -41.246
where: short stacking energy: -26.544
Base-Backbone interact. energy: -0.186
local terms energy: -47.784145
where:
bonds (distance) C4'-P energy: -8.266
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -86.189953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.189953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.189953 (E_RNA)
where:
Base-Base interactions energy: -37.842
where: short stacking energy: -31.124
Base-Backbone interact. energy: 0.938
local terms energy: -49.285657
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -197.429326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.429326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.429326 (E_RNA)
where:
Base-Base interactions energy: -121.404
where: short stacking energy: -71.014
Base-Backbone interact. energy: -1.540
local terms energy: -74.485967
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -196.536773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.536773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.536773 (E_RNA)
where:
Base-Base interactions energy: -130.573
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.271
local terms energy: -65.693350
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -203.049065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.049065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.049065 (E_RNA)
where:
Base-Base interactions energy: -128.132
where: short stacking energy: -67.971
Base-Backbone interact. energy: -0.210
local terms energy: -74.706870
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -172.141625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.141625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.141625 (E_RNA)
where:
Base-Base interactions energy: -106.521
where: short stacking energy: -53.882
Base-Backbone interact. energy: 0.515
local terms energy: -66.135463
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -12.528
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: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -146.066402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.066402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.066402 (E_RNA)
where:
Base-Base interactions energy: -90.582
where: short stacking energy: -49.129
Base-Backbone interact. energy: -0.078
local terms energy: -55.406482
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -6.843
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: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -169.805707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.805707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.805707 (E_RNA)
where:
Base-Base interactions energy: -113.383
where: short stacking energy: -52.643
Base-Backbone interact. energy: -0.026
local terms energy: -56.396518
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -7.373
flat angles C4'-P-C4' energy: -7.956
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -98.925465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.925465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.925465 (E_RNA)
where:
Base-Base interactions energy: -50.807
where: short stacking energy: -40.723
Base-Backbone interact. energy: -0.326
local terms energy: -47.793219
where:
bonds (distance) C4'-P energy: -9.053
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -86.955473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.955473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.955473 (E_RNA)
where:
Base-Base interactions energy: -39.871
where: short stacking energy: -35.455
Base-Backbone interact. energy: -0.420
local terms energy: -46.664688
where:
bonds (distance) C4'-P energy: -4.530
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -93.336734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.336734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.336734 (E_RNA)
where:
Base-Base interactions energy: -46.676
where: short stacking energy: -42.576
Base-Backbone interact. energy: -0.667
local terms energy: -45.994503
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -1.890
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: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -85.815825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.815825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.815825 (E_RNA)
where:
Base-Base interactions energy: -37.101
where: short stacking energy: -24.423
Base-Backbone interact. energy: -1.283
local terms energy: -47.432202
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -214.446731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.446731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.446731 (E_RNA)
where:
Base-Base interactions energy: -140.226
where: short stacking energy: -58.238
Base-Backbone interact. energy: -0.009
local terms energy: -74.212381
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -183.320211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.320211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.320211 (E_RNA)
where:
Base-Base interactions energy: -119.742
where: short stacking energy: -54.716
Base-Backbone interact. energy: -0.300
local terms energy: -63.278216
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -9.954
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: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -188.044541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.044541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.044541 (E_RNA)
where:
Base-Base interactions energy: -130.899
where: short stacking energy: -50.716
Base-Backbone interact. energy: -0.691
local terms energy: -56.455142
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -5.730
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: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -155.559805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.559805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.559805 (E_RNA)
where:
Base-Base interactions energy: -93.411
where: short stacking energy: -47.336
Base-Backbone interact. energy: -0.092
local terms energy: -62.056969
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -173.008192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.008192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.008192 (E_RNA)
where:
Base-Base interactions energy: -111.082
where: short stacking energy: -57.962
Base-Backbone interact. energy: -0.108
local terms energy: -61.818289
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -10.945
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: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -128.185042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.185042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.185042 (E_RNA)
where:
Base-Base interactions energy: -72.390
where: short stacking energy: -34.539
Base-Backbone interact. energy: -0.122
local terms energy: -55.673763
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -5.039
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: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -93.763716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.763716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.763716 (E_RNA)
where:
Base-Base interactions energy: -46.430
where: short stacking energy: -36.757
Base-Backbone interact. energy: -0.127
local terms energy: -47.206709
where:
bonds (distance) C4'-P energy: -8.013
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -97.381806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.381806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.381806 (E_RNA)
where:
Base-Base interactions energy: -46.539
where: short stacking energy: -46.539
Base-Backbone interact. energy: -0.100
local terms energy: -50.742753
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -8.501
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -82.657150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.657150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.657150 (E_RNA)
where:
Base-Base interactions energy: -36.345
where: short stacking energy: -25.772
Base-Backbone interact. energy: -1.232
local terms energy: -45.080519
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -0.760
tors. eta vs tors. theta energy: 0.322
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: 2
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -78.841877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.841877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.841877 (E_RNA)
where:
Base-Base interactions energy: -28.189
where: short stacking energy: -28.189
Base-Backbone interact. energy: -0.021
local terms energy: -50.631857
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: 0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -206.224223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.224223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.224223 (E_RNA)
where:
Base-Base interactions energy: -138.387
where: short stacking energy: -56.875
Base-Backbone interact. energy: -0.007
local terms energy: -67.830089
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -193.842894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.842894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.842894 (E_RNA)
where:
Base-Base interactions energy: -124.467
where: short stacking energy: -42.667
Base-Backbone interact. energy: -0.108
local terms energy: -69.268352
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -194.729623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.729623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.729623 (E_RNA)
where:
Base-Base interactions energy: -127.506
where: short stacking energy: -60.496
Base-Backbone interact. energy: -0.010
local terms energy: -67.213861
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -183.052720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.052720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.052720 (E_RNA)
where:
Base-Base interactions energy: -115.753
where: short stacking energy: -57.428
Base-Backbone interact. energy: -0.317
local terms energy: -66.982457
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -163.967625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.967625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.967625 (E_RNA)
where:
Base-Base interactions energy: -98.271
where: short stacking energy: -52.187
Base-Backbone interact. energy: 0.087
local terms energy: -65.783380
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -10.777
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: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -135.384729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.384729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.384729 (E_RNA)
where:
Base-Base interactions energy: -76.188
where: short stacking energy: -45.718
Base-Backbone interact. energy: -0.807
local terms energy: -58.389999
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -101.647928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.647928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.647928 (E_RNA)
where:
Base-Base interactions energy: -42.161
where: short stacking energy: -40.999
Base-Backbone interact. energy: -0.210
local terms energy: -59.277253
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -9.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -95.840846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.840846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.840846 (E_RNA)
where:
Base-Base interactions energy: -39.007
where: short stacking energy: -33.545
Base-Backbone interact. energy: -0.040
local terms energy: -56.793850
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -8.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -85.909271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.909271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.909271 (E_RNA)
where:
Base-Base interactions energy: -31.567
where: short stacking energy: -28.859
Base-Backbone interact. energy: -0.080
local terms energy: -54.262757
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -80.495578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.495578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.495578 (E_RNA)
where:
Base-Base interactions energy: -31.173
where: short stacking energy: -18.786
Base-Backbone interact. energy: -0.197
local terms energy: -49.125991
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -209.487989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.487989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.487989 (E_RNA)
where:
Base-Base interactions energy: -131.734
where: short stacking energy: -66.062
Base-Backbone interact. energy: -0.005
local terms energy: -77.749548
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -196.524546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.524546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.524546 (E_RNA)
where:
Base-Base interactions energy: -121.566
where: short stacking energy: -63.231
Base-Backbone interact. energy: -0.004
local terms energy: -74.954943
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -21.029
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: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -194.044157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.044157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.044157 (E_RNA)
where:
Base-Base interactions energy: -125.614
where: short stacking energy: -52.754
Base-Backbone interact. energy: -0.584
local terms energy: -67.845610
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.365
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: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -180.746995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.746995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.746995 (E_RNA)
where:
Base-Base interactions energy: -115.665
where: short stacking energy: -59.539
Base-Backbone interact. energy: -0.006
local terms energy: -65.075904
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -160.057660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.057660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.057660 (E_RNA)
where:
Base-Base interactions energy: -91.528
where: short stacking energy: -52.686
Base-Backbone interact. energy: -0.043
local terms energy: -68.485853
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -11.103
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: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -101.194555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.194555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.194555 (E_RNA)
where:
Base-Base interactions energy: -53.506
where: short stacking energy: -22.990
Base-Backbone interact. energy: 3.891
local terms energy: -51.580090
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -95.923268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.923268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.923268 (E_RNA)
where:
Base-Base interactions energy: -39.741
where: short stacking energy: -34.815
Base-Backbone interact. energy: -0.111
local terms energy: -56.071418
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -83.469524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.469524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.469524 (E_RNA)
where:
Base-Base interactions energy: -40.454
where: short stacking energy: -34.275
Base-Backbone interact. energy: -0.055
local terms energy: -42.960746
where:
bonds (distance) C4'-P energy: -7.529
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -6.091
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: 2
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -87.712851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.712851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.712851 (E_RNA)
where:
Base-Base interactions energy: -38.892
where: short stacking energy: -30.118
Base-Backbone interact. energy: -0.456
local terms energy: -48.365008
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -8.240
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -79.078886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.078886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.078886 (E_RNA)
where:
Base-Base interactions energy: -25.562
where: short stacking energy: -24.969
Base-Backbone interact. energy: -0.360
local terms energy: -53.156472
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -9.124
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: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -209.762586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.762586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.762586 (E_RNA)
where:
Base-Base interactions energy: -137.619
where: short stacking energy: -63.634
Base-Backbone interact. energy: -0.100
local terms energy: -72.044301
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -200.970965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.970965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.970965 (E_RNA)
where:
Base-Base interactions energy: -136.437
where: short stacking energy: -62.393
Base-Backbone interact. energy: 0.191
local terms energy: -64.725526
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -12.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -185.703924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.703924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.703924 (E_RNA)
where:
Base-Base interactions energy: -120.132
where: short stacking energy: -57.424
Base-Backbone interact. energy: 0.388
local terms energy: -65.959514
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -11.969
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: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -164.866251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.866251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.866251 (E_RNA)
where:
Base-Base interactions energy: -97.191
where: short stacking energy: -56.330
Base-Backbone interact. energy: -0.050
local terms energy: -67.625924
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -11.843
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: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -173.698684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.698684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.698684 (E_RNA)
where:
Base-Base interactions energy: -107.990
where: short stacking energy: -56.545
Base-Backbone interact. energy: -0.001
local terms energy: -65.707779
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -13.003
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: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -104.329321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.329321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.329321 (E_RNA)
where:
Base-Base interactions energy: -42.107
where: short stacking energy: -41.308
Base-Backbone interact. energy: -0.005
local terms energy: -62.216936
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -10.936
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: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -95.322303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.322303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.322303 (E_RNA)
where:
Base-Base interactions energy: -41.728
where: short stacking energy: -31.498
Base-Backbone interact. energy: -0.218
local terms energy: -53.375622
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -11.461
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: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -89.826559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.826559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.826559 (E_RNA)
where:
Base-Base interactions energy: -39.080
where: short stacking energy: -32.283
Base-Backbone interact. energy: -0.097
local terms energy: -50.648891
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -2.033
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: 477
Temperature: 1.300000
Total energy: -79.729823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.729823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.729823 (E_RNA)
where:
Base-Base interactions energy: -30.495
where: short stacking energy: -30.495
Base-Backbone interact. energy: -0.200
local terms energy: -49.034769
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -79.945918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.945918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.945918 (E_RNA)
where:
Base-Base interactions energy: -30.881
where: short stacking energy: -30.881
Base-Backbone interact. energy: -1.048
local terms energy: -48.016061
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: 0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -211.401955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.401955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.401955 (E_RNA)
where:
Base-Base interactions energy: -150.006
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.222
local terms energy: -61.174619
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -9.963
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: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -210.647782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.647782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.647782 (E_RNA)
where:
Base-Base interactions energy: -146.066
where: short stacking energy: -59.561
Base-Backbone interact. energy: 1.237
local terms energy: -65.819244
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -203.410026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.410026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.410026 (E_RNA)
where:
Base-Base interactions energy: -135.314
where: short stacking energy: -60.829
Base-Backbone interact. energy: -0.006
local terms energy: -68.089562
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -15.828
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: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -154.884173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.884173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.884173 (E_RNA)
where:
Base-Base interactions energy: -90.692
where: short stacking energy: -42.055
Base-Backbone interact. energy: -0.968
local terms energy: -63.224298
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -9.246
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: 5, replica: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -132.386872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.386872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.386872 (E_RNA)
where:
Base-Base interactions energy: -78.775
where: short stacking energy: -32.569
Base-Backbone interact. energy: -0.435
local terms energy: -53.176996
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: 0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -160.926905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.926905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.926905 (E_RNA)
where:
Base-Base interactions energy: -106.702
where: short stacking energy: -53.865
Base-Backbone interact. energy: -0.317
local terms energy: -53.907070
where:
bonds (distance) C4'-P energy: -7.101
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -12.789
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: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -96.529890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.529890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.529890 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -36.147
Base-Backbone interact. energy: -0.148
local terms energy: -60.025660
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -86.027506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.027506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.027506 (E_RNA)
where:
Base-Base interactions energy: -34.499
where: short stacking energy: -27.687
Base-Backbone interact. energy: -0.360
local terms energy: -51.169035
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -8.884
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -83.136594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.136594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.136594 (E_RNA)
where:
Base-Base interactions energy: -34.133
where: short stacking energy: -34.133
Base-Backbone interact. energy: -0.024
local terms energy: -48.979845
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -76.837920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.837920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.837920 (E_RNA)
where:
Base-Base interactions energy: -30.843
where: short stacking energy: -27.645
Base-Backbone interact. energy: -0.139
local terms energy: -45.856318
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -211.329743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.329743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.329743 (E_RNA)
where:
Base-Base interactions energy: -143.619
where: short stacking energy: -58.119
Base-Backbone interact. energy: 0.233
local terms energy: -67.943196
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -12.361
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: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -197.537063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.537063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.537063 (E_RNA)
where:
Base-Base interactions energy: -127.331
where: short stacking energy: -66.954
Base-Backbone interact. energy: -0.344
local terms energy: -69.862099
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -15.026
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: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -187.140025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.140025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.140025 (E_RNA)
where:
Base-Base interactions energy: -119.472
where: short stacking energy: -59.350
Base-Backbone interact. energy: -0.604
local terms energy: -67.063657
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -158.165460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.165460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.165460 (E_RNA)
where:
Base-Base interactions energy: -94.273
where: short stacking energy: -50.928
Base-Backbone interact. energy: -0.138
local terms energy: -63.754318
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -122.843158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.843158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.843158 (E_RNA)
where:
Base-Base interactions energy: -66.615
where: short stacking energy: -43.024
Base-Backbone interact. energy: -0.237
local terms energy: -55.991030
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -6.949
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: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -149.417706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.417706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.417706 (E_RNA)
where:
Base-Base interactions energy: -91.943
where: short stacking energy: -47.592
Base-Backbone interact. energy: -0.011
local terms energy: -57.463559
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -2.131
tors. eta vs tors. theta energy: -11.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -111.769292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.769292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.769292 (E_RNA)
where:
Base-Base interactions energy: -45.384
where: short stacking energy: -44.879
Base-Backbone interact. energy: -0.139
local terms energy: -66.246957
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -92.284455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.284455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.284455 (E_RNA)
where:
Base-Base interactions energy: -48.860
where: short stacking energy: -35.176
Base-Backbone interact. energy: -0.254
local terms energy: -43.170275
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -3.948
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -89.701763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.701763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.701763 (E_RNA)
where:
Base-Base interactions energy: -33.295
where: short stacking energy: -29.026
Base-Backbone interact. energy: 0.927
local terms energy: -57.333955
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -8.508
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: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -82.865633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.865633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.865633 (E_RNA)
where:
Base-Base interactions energy: -43.860
where: short stacking energy: -35.909
Base-Backbone interact. energy: -0.152
local terms energy: -38.854203
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -210.115537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.115537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.115537 (E_RNA)
where:
Base-Base interactions energy: -143.785
where: short stacking energy: -55.606
Base-Backbone interact. energy: -0.401
local terms energy: -65.930073
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -12.506
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: 480
Temperature: 0.950000
Total energy: -186.334189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.334189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.334189 (E_RNA)
where:
Base-Base interactions energy: -114.142
where: short stacking energy: -60.956
Base-Backbone interact. energy: -0.008
local terms energy: -72.183668
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -16.345
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: 480
Temperature: 1.000000
Total energy: -180.598187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.598187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.598187 (E_RNA)
where:
Base-Base interactions energy: -115.771
where: short stacking energy: -64.417
Base-Backbone interact. energy: 0.040
local terms energy: -64.867585
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -186.698680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.698680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.698680 (E_RNA)
where:
Base-Base interactions energy: -124.128
where: short stacking energy: -68.142
Base-Backbone interact. energy: -0.001
local terms energy: -62.570166
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -14.131
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: 480
Temperature: 1.100000
Total energy: -165.325936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.325936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.325936 (E_RNA)
where:
Base-Base interactions energy: -100.738
where: short stacking energy: -45.642
Base-Backbone interact. energy: -0.095
local terms energy: -64.493590
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -10.502
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: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -133.272444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.272444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.272444 (E_RNA)
where:
Base-Base interactions energy: -62.736
where: short stacking energy: -51.194
Base-Backbone interact. energy: -1.245
local terms energy: -69.291243
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -9.339
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: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -89.159244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.159244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.159244 (E_RNA)
where:
Base-Base interactions energy: -34.509
where: short stacking energy: -27.344
Base-Backbone interact. energy: -0.151
local terms energy: -54.499072
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -10.807
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: 8, replica: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -91.171046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.171046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.171046 (E_RNA)
where:
Base-Base interactions energy: -28.833
where: short stacking energy: -28.833
Base-Backbone interact. energy: -0.168
local terms energy: -62.170172
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -71.564030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.564030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.564030 (E_RNA)
where:
Base-Base interactions energy: -28.054
where: short stacking energy: -26.507
Base-Backbone interact. energy: -0.227
local terms energy: -43.282159
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: 0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -70.190549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.190549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.190549 (E_RNA)
where:
Base-Base interactions energy: -23.157
where: short stacking energy: -19.503
Base-Backbone interact. energy: 1.220
local terms energy: -48.253780
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: 1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -210.805116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.805116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.805116 (E_RNA)
where:
Base-Base interactions energy: -141.294
where: short stacking energy: -62.328
Base-Backbone interact. energy: -0.064
local terms energy: -69.447204
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.417
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: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -199.421549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.421549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.421549 (E_RNA)
where:
Base-Base interactions energy: -132.806
where: short stacking energy: -51.220
Base-Backbone interact. energy: -0.509
local terms energy: -66.106074
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -183.316181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.316181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.316181 (E_RNA)
where:
Base-Base interactions energy: -118.769
where: short stacking energy: -53.445
Base-Backbone interact. energy: -0.473
local terms energy: -64.074186
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -180.284222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.284222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.284222 (E_RNA)
where:
Base-Base interactions energy: -116.773
where: short stacking energy: -57.939
Base-Backbone interact. energy: -0.059
local terms energy: -63.452711
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -171.270454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.270454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.270454 (E_RNA)
where:
Base-Base interactions energy: -100.101
where: short stacking energy: -42.095
Base-Backbone interact. energy: -0.009
local terms energy: -71.159720
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -115.570631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.570631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.570631 (E_RNA)
where:
Base-Base interactions energy: -62.140
where: short stacking energy: -41.700
Base-Backbone interact. energy: 0.049
local terms energy: -53.479561
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -8.193
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: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -110.824475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.824475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.824475 (E_RNA)
where:
Base-Base interactions energy: -63.691
where: short stacking energy: -31.704
Base-Backbone interact. energy: 3.728
local terms energy: -50.860842
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -107.489352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.489352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.489352 (E_RNA)
where:
Base-Base interactions energy: -43.990
where: short stacking energy: -43.990
Base-Backbone interact. energy: -0.809
local terms energy: -62.689817
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.501
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: 9, replica: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -90.359771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.359771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.359771 (E_RNA)
where:
Base-Base interactions energy: -36.532
where: short stacking energy: -34.520
Base-Backbone interact. energy: -0.198
local terms energy: -53.630093
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -76.655066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.655066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.655066 (E_RNA)
where:
Base-Base interactions energy: -32.106
where: short stacking energy: -16.951
Base-Backbone interact. energy: 0.921
local terms energy: -45.470030
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: 5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -201.922143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.922143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.922143 (E_RNA)
where:
Base-Base interactions energy: -133.249
where: short stacking energy: -65.667
Base-Backbone interact. energy: -0.021
local terms energy: -68.652121
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -9.196
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: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -195.872236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.872236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.872236 (E_RNA)
where:
Base-Base interactions energy: -137.643
where: short stacking energy: -60.561
Base-Backbone interact. energy: 0.994
local terms energy: -59.223214
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -10.079
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: 3, replica: 9
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -193.556213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.556213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.556213 (E_RNA)
where:
Base-Base interactions energy: -122.501
where: short stacking energy: -57.137
Base-Backbone interact. energy: -0.015
local terms energy: -71.040291
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -10.941
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: 4, replica: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -186.358488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.358488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.358488 (E_RNA)
where:
Base-Base interactions energy: -123.859
where: short stacking energy: -61.739
Base-Backbone interact. energy: -0.235
local terms energy: -62.263592
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -168.904468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.904468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.904468 (E_RNA)
where:
Base-Base interactions energy: -105.105
where: short stacking energy: -45.493
Base-Backbone interact. energy: 0.001
local terms energy: -63.800733
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -99.848648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.848648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.848648 (E_RNA)
where:
Base-Base interactions energy: -42.841
where: short stacking energy: -36.767
Base-Backbone interact. energy: -0.063
local terms energy: -56.944874
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -124.080902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.080902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.080902 (E_RNA)
where:
Base-Base interactions energy: -70.793
where: short stacking energy: -40.844
Base-Backbone interact. energy: -0.328
local terms energy: -52.960608
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -3.734
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: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -90.220666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.220666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.220666 (E_RNA)
where:
Base-Base interactions energy: -40.760
where: short stacking energy: -30.368
Base-Backbone interact. energy: -1.180
local terms energy: -48.280868
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -75.272481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.272481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.272481 (E_RNA)
where:
Base-Base interactions energy: -27.599
where: short stacking energy: -27.599
Base-Backbone interact. energy: 1.956
local terms energy: -49.628755
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -79.323868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.323868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.323868 (E_RNA)
where:
Base-Base interactions energy: -36.222
where: short stacking energy: -36.222
Base-Backbone interact. energy: -0.080
local terms energy: -43.021944
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -7.503
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -207.752008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.752008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.752008 (E_RNA)
where:
Base-Base interactions energy: -135.896
where: short stacking energy: -67.694
Base-Backbone interact. energy: -0.023
local terms energy: -71.832541
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -16.304
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: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -202.913640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.913640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.913640 (E_RNA)
where:
Base-Base interactions energy: -130.360
where: short stacking energy: -68.890
Base-Backbone interact. energy: -0.003
local terms energy: -72.550540
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -195.318910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.318910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.318910 (E_RNA)
where:
Base-Base interactions energy: -129.733
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.088
local terms energy: -65.498061
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -7.969
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: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -176.950397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.950397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.950397 (E_RNA)
where:
Base-Base interactions energy: -105.428
where: short stacking energy: -56.063
Base-Backbone interact. energy: -0.163
local terms energy: -71.359369
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -179.450000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.450000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.450000 (E_RNA)
where:
Base-Base interactions energy: -116.605
where: short stacking energy: -62.431
Base-Backbone interact. energy: -0.006
local terms energy: -62.839068
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -8.421
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: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -138.482398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.482398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.482398 (E_RNA)
where:
Base-Base interactions energy: -85.113
where: short stacking energy: -39.181
Base-Backbone interact. energy: 0.750
local terms energy: -54.118572
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -92.565015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.565015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.565015 (E_RNA)
where:
Base-Base interactions energy: -40.182
where: short stacking energy: -29.425
Base-Backbone interact. energy: -0.345
local terms energy: -52.038589
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -8.717
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: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -82.396872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.396872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.396872 (E_RNA)
where:
Base-Base interactions energy: -33.280
where: short stacking energy: -33.280
Base-Backbone interact. energy: -0.876
local terms energy: -48.240906
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: 1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -87.102736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.102736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.102736 (E_RNA)
where:
Base-Base interactions energy: -38.649
where: short stacking energy: -38.649
Base-Backbone interact. energy: 0.278
local terms energy: -48.731623
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -91.504807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.504807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.504807 (E_RNA)
where:
Base-Base interactions energy: -34.819
where: short stacking energy: -31.160
Base-Backbone interact. energy: -0.204
local terms energy: -56.482554
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -197.005952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.005952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.005952 (E_RNA)
where:
Base-Base interactions energy: -131.166
where: short stacking energy: -68.355
Base-Backbone interact. energy: 0.093
local terms energy: -65.933907
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -12.075
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: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -202.248604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.248604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.248604 (E_RNA)
where:
Base-Base interactions energy: -129.376
where: short stacking energy: -57.662
Base-Backbone interact. energy: -0.514
local terms energy: -72.358278
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -185.412413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.412413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.412413 (E_RNA)
where:
Base-Base interactions energy: -122.849
where: short stacking energy: -59.381
Base-Backbone interact. energy: -0.004
local terms energy: -62.559294
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -15.244
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: 484
Temperature: 1.050000
Total energy: -176.611273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.611273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.611273 (E_RNA)
where:
Base-Base interactions energy: -113.927
where: short stacking energy: -55.003
Base-Backbone interact. energy: -0.972
local terms energy: -61.712520
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -9.300
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: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -179.537021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.537021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.537021 (E_RNA)
where:
Base-Base interactions energy: -117.851
where: short stacking energy: -41.510
Base-Backbone interact. energy: -0.123
local terms energy: -61.563368
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -114.469180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.469180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.469180 (E_RNA)
where:
Base-Base interactions energy: -55.757
where: short stacking energy: -36.350
Base-Backbone interact. energy: -0.071
local terms energy: -58.641571
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -87.843340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.843340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.843340 (E_RNA)
where:
Base-Base interactions energy: -34.091
where: short stacking energy: -32.185
Base-Backbone interact. energy: 0.241
local terms energy: -53.993019
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: 0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -85.567081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.567081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.567081 (E_RNA)
where:
Base-Base interactions energy: -39.389
where: short stacking energy: -24.748
Base-Backbone interact. energy: -0.618
local terms energy: -45.559628
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -3.157
tors. eta vs tors. theta energy: 1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -101.749498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.749498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.749498 (E_RNA)
where:
Base-Base interactions energy: -57.489
where: short stacking energy: -24.868
Base-Backbone interact. energy: -0.050
local terms energy: -44.210442
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -5.420
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: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -81.982395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.982395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.982395 (E_RNA)
where:
Base-Base interactions energy: -32.537
where: short stacking energy: -21.011
Base-Backbone interact. energy: -0.174
local terms energy: -49.271872
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -194.618221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.618221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.618221 (E_RNA)
where:
Base-Base interactions energy: -120.045
where: short stacking energy: -63.898
Base-Backbone interact. energy: -0.046
local terms energy: -74.527233
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -14.475
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: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -192.486115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.486115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.486115 (E_RNA)
where:
Base-Base interactions energy: -128.662
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.238
local terms energy: -63.585900
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -202.423135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.423135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.423135 (E_RNA)
where:
Base-Base interactions energy: -131.289
where: short stacking energy: -62.616
Base-Backbone interact. energy: 1.448
local terms energy: -72.582909
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -14.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -179.389075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.389075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.389075 (E_RNA)
where:
Base-Base interactions energy: -114.524
where: short stacking energy: -55.101
Base-Backbone interact. energy: -0.294
local terms energy: -64.570735
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -10.268
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: 8
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -171.266927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.266927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.266927 (E_RNA)
where:
Base-Base interactions energy: -107.548
where: short stacking energy: -49.082
Base-Backbone interact. energy: 1.246
local terms energy: -64.965439
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -11.537
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: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -93.325731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.325731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.325731 (E_RNA)
where:
Base-Base interactions energy: -37.903
where: short stacking energy: -38.303
Base-Backbone interact. energy: -0.372
local terms energy: -55.050532
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -4.078
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -101.659586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.659586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.659586 (E_RNA)
where:
Base-Base interactions energy: -42.269
where: short stacking energy: -33.802
Base-Backbone interact. energy: 1.408
local terms energy: -60.798604
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -92.822919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.822919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.822919 (E_RNA)
where:
Base-Base interactions energy: -36.170
where: short stacking energy: -32.132
Base-Backbone interact. energy: -0.115
local terms energy: -56.537813
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -8.082
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: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -79.685901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.685901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.685901 (E_RNA)
where:
Base-Base interactions energy: -26.517
where: short stacking energy: -23.706
Base-Backbone interact. energy: -0.622
local terms energy: -52.547176
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -9.421
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: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -79.676133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.676133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.676133 (E_RNA)
where:
Base-Base interactions energy: -28.161
where: short stacking energy: -22.229
Base-Backbone interact. energy: -0.208
local terms energy: -51.306616
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -198.529839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.529839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.529839 (E_RNA)
where:
Base-Base interactions energy: -131.215
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.006
local terms energy: -67.309514
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -12.843
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: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -196.983291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.983291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.983291 (E_RNA)
where:
Base-Base interactions energy: -127.362
where: short stacking energy: -67.717
Base-Backbone interact. energy: -0.138
local terms energy: -69.482485
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -195.059526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.059526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.059526 (E_RNA)
where:
Base-Base interactions energy: -128.482
where: short stacking energy: -59.959
Base-Backbone interact. energy: -0.043
local terms energy: -66.535086
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -7.335
flat angles P-C4'-P energy: -9.988
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: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -154.858223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.858223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.858223 (E_RNA)
where:
Base-Base interactions energy: -100.503
where: short stacking energy: -52.231
Base-Backbone interact. energy: -0.172
local terms energy: -54.183048
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -9.780
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: 5, replica: 8
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -178.421344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.421344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.421344 (E_RNA)
where:
Base-Base interactions energy: -120.953
where: short stacking energy: -52.306
Base-Backbone interact. energy: 0.559
local terms energy: -58.027689
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -6.346
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: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -105.728802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.728802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.728802 (E_RNA)
where:
Base-Base interactions energy: -45.651
where: short stacking energy: -45.651
Base-Backbone interact. energy: -0.365
local terms energy: -59.712620
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -95.491145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.491145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.491145 (E_RNA)
where:
Base-Base interactions energy: -44.141
where: short stacking energy: -30.810
Base-Backbone interact. energy: -0.298
local terms energy: -51.052646
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -96.125040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.125040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.125040 (E_RNA)
where:
Base-Base interactions energy: -41.639
where: short stacking energy: -30.816
Base-Backbone interact. energy: -0.070
local terms energy: -54.416734
where:
bonds (distance) C4'-P energy: -7.936
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -5.464
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: 486
Temperature: 1.300000
Total energy: -77.939020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.939020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.939020 (E_RNA)
where:
Base-Base interactions energy: -31.044
where: short stacking energy: -22.422
Base-Backbone interact. energy: -0.067
local terms energy: -46.827763
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -13.431
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: 10, replica: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -84.993700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.993700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.993700 (E_RNA)
where:
Base-Base interactions energy: -37.737
where: short stacking energy: -27.274
Base-Backbone interact. energy: -0.319
local terms energy: -46.938235
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: -7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -205.758783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.758783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.758783 (E_RNA)
where:
Base-Base interactions energy: -135.110
where: short stacking energy: -70.192
Base-Backbone interact. energy: -0.016
local terms energy: -70.632884
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -188.952965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.952965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.952965 (E_RNA)
where:
Base-Base interactions energy: -112.342
where: short stacking energy: -64.067
Base-Backbone interact. energy: -0.008
local terms energy: -76.602584
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -185.131802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.131802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.131802 (E_RNA)
where:
Base-Base interactions energy: -113.913
where: short stacking energy: -55.899
Base-Backbone interact. energy: -0.739
local terms energy: -70.479287
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -8.833
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: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -175.300254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.300254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.300254 (E_RNA)
where:
Base-Base interactions energy: -106.004
where: short stacking energy: -56.672
Base-Backbone interact. energy: -0.156
local terms energy: -69.140703
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -12.483
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: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -152.840435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.840435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.840435 (E_RNA)
where:
Base-Base interactions energy: -88.353
where: short stacking energy: -45.125
Base-Backbone interact. energy: -0.545
local terms energy: -63.942583
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -12.263
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: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -102.232283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.232283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.232283 (E_RNA)
where:
Base-Base interactions energy: -44.174
where: short stacking energy: -44.174
Base-Backbone interact. energy: -0.040
local terms energy: -58.018000
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -84.725163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.725163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.725163 (E_RNA)
where:
Base-Base interactions energy: -22.093
where: short stacking energy: -22.093
Base-Backbone interact. energy: -0.047
local terms energy: -62.585100
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -5.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -85.664877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.664877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.664877 (E_RNA)
where:
Base-Base interactions energy: -29.142
where: short stacking energy: -29.142
Base-Backbone interact. energy: -0.205
local terms energy: -56.318220
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -86.131827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.131827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.131827 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -40.827
Base-Backbone interact. energy: -0.076
local terms energy: -45.180184
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: 0.858
tors. eta vs tors. theta energy: -8.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -81.989018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.989018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.989018 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -19.743
Base-Backbone interact. energy: -0.500
local terms energy: -50.705017
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -201.137505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.137505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.137505 (E_RNA)
where:
Base-Base interactions energy: -125.011
where: short stacking energy: -70.764
Base-Backbone interact. energy: -0.026
local terms energy: -76.101081
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -18.571
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: 488
Temperature: 0.950000
Total energy: -194.186764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.186764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.186764 (E_RNA)
where:
Base-Base interactions energy: -131.047
where: short stacking energy: -59.392
Base-Backbone interact. energy: 0.384
local terms energy: -63.523517
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -181.143085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.143085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.143085 (E_RNA)
where:
Base-Base interactions energy: -113.968
where: short stacking energy: -43.716
Base-Backbone interact. energy: -0.043
local terms energy: -67.131979
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -179.155367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.155367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.155367 (E_RNA)
where:
Base-Base interactions energy: -115.527
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.183
local terms energy: -63.445820
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -157.254696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.254696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.254696 (E_RNA)
where:
Base-Base interactions energy: -102.693
where: short stacking energy: -47.042
Base-Backbone interact. energy: -0.481
local terms energy: -54.080684
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -103.802763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.802763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.802763 (E_RNA)
where:
Base-Base interactions energy: -46.487
where: short stacking energy: -41.837
Base-Backbone interact. energy: -0.192
local terms energy: -57.123627
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -98.966995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.966995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.966995 (E_RNA)
where:
Base-Base interactions energy: -49.944
where: short stacking energy: -49.944
Base-Backbone interact. energy: -0.008
local terms energy: -49.014822
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -6.787
flat angles P-C4'-P energy: -9.208
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: 8, replica: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -85.717655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.717655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.717655 (E_RNA)
where:
Base-Base interactions energy: -33.615
where: short stacking energy: -32.383
Base-Backbone interact. energy: 0.077
local terms energy: -52.179447
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -91.128201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.128201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.128201 (E_RNA)
where:
Base-Base interactions energy: -40.137
where: short stacking energy: -40.137
Base-Backbone interact. energy: -0.605
local terms energy: -50.386978
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -73.808148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.808148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.808148 (E_RNA)
where:
Base-Base interactions energy: -19.963
where: short stacking energy: -19.963
Base-Backbone interact. energy: -0.046
local terms energy: -53.799781
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -205.806963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.806963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.806963 (E_RNA)
where:
Base-Base interactions energy: -133.745
where: short stacking energy: -64.591
Base-Backbone interact. energy: -0.311
local terms energy: -71.750827
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -10.004
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: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -210.354531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.354531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.354531 (E_RNA)
where:
Base-Base interactions energy: -136.796
where: short stacking energy: -60.896
Base-Backbone interact. energy: -0.054
local terms energy: -73.504730
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -204.091164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.091164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.091164 (E_RNA)
where:
Base-Base interactions energy: -131.368
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.411
local terms energy: -72.312336
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.005
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: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -174.134146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.134146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.134146 (E_RNA)
where:
Base-Base interactions energy: -113.351
where: short stacking energy: -60.590
Base-Backbone interact. energy: -0.003
local terms energy: -60.779956
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -9.269
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -164.873694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.873694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.873694 (E_RNA)
where:
Base-Base interactions energy: -100.274
where: short stacking energy: -47.483
Base-Backbone interact. energy: -0.286
local terms energy: -64.313784
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -11.062
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: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -104.478591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.478591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.478591 (E_RNA)
where:
Base-Base interactions energy: -50.409
where: short stacking energy: -44.788
Base-Backbone interact. energy: -0.010
local terms energy: -54.059668
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -92.956365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.956365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.956365 (E_RNA)
where:
Base-Base interactions energy: -42.081
where: short stacking energy: -37.096
Base-Backbone interact. energy: -0.576
local terms energy: -50.299462
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -6.238
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: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -99.009282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.009282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.009282 (E_RNA)
where:
Base-Base interactions energy: -39.227
where: short stacking energy: -35.634
Base-Backbone interact. energy: -0.075
local terms energy: -59.707298
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -8.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -95.571371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.571371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.571371 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -36.201
Base-Backbone interact. energy: -0.532
local terms energy: -58.701614
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -68.940681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.940681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.940681 (E_RNA)
where:
Base-Base interactions energy: -25.511
where: short stacking energy: -21.184
Base-Backbone interact. energy: -0.276
local terms energy: -43.153511
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: 3.875
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: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -212.206276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.206276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.206276 (E_RNA)
where:
Base-Base interactions energy: -150.366
where: short stacking energy: -64.200
Base-Backbone interact. energy: -0.065
local terms energy: -61.775232
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -196.778673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.778673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.778673 (E_RNA)
where:
Base-Base interactions energy: -127.232
where: short stacking energy: -64.740
Base-Backbone interact. energy: 1.153
local terms energy: -70.699914
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -198.158590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.158590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.158590 (E_RNA)
where:
Base-Base interactions energy: -128.476
where: short stacking energy: -63.134
Base-Backbone interact. energy: -0.089
local terms energy: -69.593427
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -181.475703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.475703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.475703 (E_RNA)
where:
Base-Base interactions energy: -118.544
where: short stacking energy: -47.820
Base-Backbone interact. energy: -0.088
local terms energy: -62.843087
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -10.502
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: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -171.955996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.955996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.955996 (E_RNA)
where:
Base-Base interactions energy: -100.479
where: short stacking energy: -61.567
Base-Backbone interact. energy: -0.011
local terms energy: -71.465989
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -93.512473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.512473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.512473 (E_RNA)
where:
Base-Base interactions energy: -37.358
where: short stacking energy: -24.783
Base-Backbone interact. energy: -0.756
local terms energy: -55.398805
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -3.133
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: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -87.114723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.114723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.114723 (E_RNA)
where:
Base-Base interactions energy: -34.214
where: short stacking energy: -34.214
Base-Backbone interact. energy: 0.406
local terms energy: -53.306787
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -99.697730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.697730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.697730 (E_RNA)
where:
Base-Base interactions energy: -38.456
where: short stacking energy: -38.456
Base-Backbone interact. energy: -0.084
local terms energy: -61.158334
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -85.976495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.976495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.976495 (E_RNA)
where:
Base-Base interactions energy: -34.517
where: short stacking energy: -29.414
Base-Backbone interact. energy: -0.151
local terms energy: -51.309154
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -92.453050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.453050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.453050 (E_RNA)
where:
Base-Base interactions energy: -40.796
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.056
local terms energy: -51.601008
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -3.054
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -209.402441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.402441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.402441 (E_RNA)
where:
Base-Base interactions energy: -141.164
where: short stacking energy: -62.392
Base-Backbone interact. energy: -0.043
local terms energy: -68.195129
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -191.192884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.192884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.192884 (E_RNA)
where:
Base-Base interactions energy: -130.727
where: short stacking energy: -51.860
Base-Backbone interact. energy: -0.065
local terms energy: -60.400462
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -6.434
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: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -191.719014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.719014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.719014 (E_RNA)
where:
Base-Base interactions energy: -121.234
where: short stacking energy: -62.100
Base-Backbone interact. energy: -0.317
local terms energy: -70.168450
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -11.159
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: 4, replica: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -147.503907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.503907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.503907 (E_RNA)
where:
Base-Base interactions energy: -99.847
where: short stacking energy: -35.744
Base-Backbone interact. energy: -0.792
local terms energy: -46.864804
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -8.276
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: 491
Temperature: 1.100000
Total energy: -161.213314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.213314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.213314 (E_RNA)
where:
Base-Base interactions energy: -91.054
where: short stacking energy: -45.844
Base-Backbone interact. energy: -0.356
local terms energy: -69.802740
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -112.800468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.800468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.800468 (E_RNA)
where:
Base-Base interactions energy: -48.991
where: short stacking energy: -48.991
Base-Backbone interact. energy: 1.803
local terms energy: -65.611784
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -93.006215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.006215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.006215 (E_RNA)
where:
Base-Base interactions energy: -38.898
where: short stacking energy: -34.427
Base-Backbone interact. energy: -1.294
local terms energy: -52.815134
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -79.574979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.574979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.574979 (E_RNA)
where:
Base-Base interactions energy: -30.151
where: short stacking energy: -28.140
Base-Backbone interact. energy: -0.307
local terms energy: -49.116657
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -79.518116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.518116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.518116 (E_RNA)
where:
Base-Base interactions energy: -35.664
where: short stacking energy: -29.025
Base-Backbone interact. energy: -0.144
local terms energy: -43.710587
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -76.028988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.028988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.028988 (E_RNA)
where:
Base-Base interactions energy: -20.659
where: short stacking energy: -20.659
Base-Backbone interact. energy: -0.002
local terms energy: -55.367145
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -215.312215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.312215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.312215 (E_RNA)
where:
Base-Base interactions energy: -154.586
where: short stacking energy: -64.381
Base-Backbone interact. energy: 0.127
local terms energy: -60.852653
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -198.391894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.391894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.391894 (E_RNA)
where:
Base-Base interactions energy: -127.367
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.004
local terms energy: -71.021500
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -11.014
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: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -172.964414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.964414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.964414 (E_RNA)
where:
Base-Base interactions energy: -100.193
where: short stacking energy: -55.458
Base-Backbone interact. energy: 0.008
local terms energy: -72.779098
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -164.804504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.804504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.804504 (E_RNA)
where:
Base-Base interactions energy: -103.835
where: short stacking energy: -48.288
Base-Backbone interact. energy: 0.569
local terms energy: -61.538083
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -179.042669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.042669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.042669 (E_RNA)
where:
Base-Base interactions energy: -118.102
where: short stacking energy: -51.838
Base-Backbone interact. energy: -0.032
local terms energy: -60.908717
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -103.887913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.887913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.887913 (E_RNA)
where:
Base-Base interactions energy: -42.919
where: short stacking energy: -36.309
Base-Backbone interact. energy: 0.496
local terms energy: -61.464279
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -11.845
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: 492
Temperature: 1.200000
Total energy: -100.927447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.927447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.927447 (E_RNA)
where:
Base-Base interactions energy: -58.012
where: short stacking energy: -35.184
Base-Backbone interact. energy: -0.354
local terms energy: -42.561098
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -3.669
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: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -97.315121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.315121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.315121 (E_RNA)
where:
Base-Base interactions energy: -49.576
where: short stacking energy: -28.281
Base-Backbone interact. energy: -0.198
local terms energy: -47.540536
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -90.560179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.560179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.560179 (E_RNA)
where:
Base-Base interactions energy: -32.678
where: short stacking energy: -32.678
Base-Backbone interact. energy: -0.031
local terms energy: -57.851646
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -11.678
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: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -76.448960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.448960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.448960 (E_RNA)
where:
Base-Base interactions energy: -28.895
where: short stacking energy: -23.121
Base-Backbone interact. energy: -0.872
local terms energy: -46.681737
where:
bonds (distance) C4'-P energy: -5.888
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -214.389451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.389451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.389451 (E_RNA)
where:
Base-Base interactions energy: -148.461
where: short stacking energy: -59.902
Base-Backbone interact. energy: -0.329
local terms energy: -65.598804
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -188.584658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.584658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.584658 (E_RNA)
where:
Base-Base interactions energy: -120.414
where: short stacking energy: -64.240
Base-Backbone interact. energy: -0.760
local terms energy: -67.410040
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -15.925
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: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -196.792182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.792182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.792182 (E_RNA)
where:
Base-Base interactions energy: -130.654
where: short stacking energy: -62.312
Base-Backbone interact. energy: -0.218
local terms energy: -65.920213
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -12.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -174.278187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.278187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.278187 (E_RNA)
where:
Base-Base interactions energy: -110.400
where: short stacking energy: -59.039
Base-Backbone interact. energy: -0.026
local terms energy: -63.852680
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -169.505060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.505060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.505060 (E_RNA)
where:
Base-Base interactions energy: -104.660
where: short stacking energy: -60.031
Base-Backbone interact. energy: -0.666
local terms energy: -64.179985
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -12.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -101.325180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.325180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.325180 (E_RNA)
where:
Base-Base interactions energy: -48.547
where: short stacking energy: -26.028
Base-Backbone interact. energy: -0.026
local terms energy: -52.752768
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -7.919
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -92.778848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.778848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.778848 (E_RNA)
where:
Base-Base interactions energy: -37.535
where: short stacking energy: -34.090
Base-Backbone interact. energy: -0.961
local terms energy: -54.282776
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -6.563
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: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -95.737535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.737535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.737535 (E_RNA)
where:
Base-Base interactions energy: -44.327
where: short stacking energy: -35.652
Base-Backbone interact. energy: -0.067
local terms energy: -51.344207
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -7.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -83.644408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.644408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.644408 (E_RNA)
where:
Base-Base interactions energy: -29.418
where: short stacking energy: -28.899
Base-Backbone interact. energy: 1.193
local terms energy: -55.419480
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -105.093220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.093220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.093220 (E_RNA)
where:
Base-Base interactions energy: -51.196
where: short stacking energy: -31.265
Base-Backbone interact. energy: -0.053
local terms energy: -53.844728
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -221.971482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.971482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.971482 (E_RNA)
where:
Base-Base interactions energy: -152.284
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.069
local terms energy: -69.618694
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -175.036736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.036736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.036736 (E_RNA)
where:
Base-Base interactions energy: -104.033
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.003
local terms energy: -71.000992
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -171.620966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.620966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.620966 (E_RNA)
where:
Base-Base interactions energy: -111.469
where: short stacking energy: -61.346
Base-Backbone interact. energy: 0.126
local terms energy: -60.278320
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -188.447284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.447284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.447284 (E_RNA)
where:
Base-Base interactions energy: -138.177
where: short stacking energy: -64.048
Base-Backbone interact. energy: -0.455
local terms energy: -49.815173
where:
bonds (distance) C4'-P energy: -6.504
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -8.231
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: 5, replica: 9
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -173.974675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.974675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.974675 (E_RNA)
where:
Base-Base interactions energy: -107.566
where: short stacking energy: -59.525
Base-Backbone interact. energy: 0.655
local terms energy: -67.063872
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -103.520834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.520834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.520834 (E_RNA)
where:
Base-Base interactions energy: -50.027
where: short stacking energy: -40.283
Base-Backbone interact. energy: -0.143
local terms energy: -53.351033
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -4.392
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: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -86.740765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.740765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.740765 (E_RNA)
where:
Base-Base interactions energy: -29.002
where: short stacking energy: -28.904
Base-Backbone interact. energy: -0.014
local terms energy: -57.724148
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -90.828524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.828524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.828524 (E_RNA)
where:
Base-Base interactions energy: -33.584
where: short stacking energy: -33.584
Base-Backbone interact. energy: -0.176
local terms energy: -57.068333
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -100.045390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.045390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.045390 (E_RNA)
where:
Base-Base interactions energy: -50.296
where: short stacking energy: -41.899
Base-Backbone interact. energy: 0.090
local terms energy: -49.839180
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -7.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -76.730876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.730876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.730876 (E_RNA)
where:
Base-Base interactions energy: -34.481
where: short stacking energy: -17.116
Base-Backbone interact. energy: -0.318
local terms energy: -41.931694
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -4.648
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: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -209.541756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.541756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.541756 (E_RNA)
where:
Base-Base interactions energy: -136.801
where: short stacking energy: -63.291
Base-Backbone interact. energy: -0.068
local terms energy: -72.672937
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -16.899
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: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -208.526702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.526702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.526702 (E_RNA)
where:
Base-Base interactions energy: -142.106
where: short stacking energy: -60.144
Base-Backbone interact. energy: 2.072
local terms energy: -68.492834
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -172.589148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.589148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.589148 (E_RNA)
where:
Base-Base interactions energy: -106.079
where: short stacking energy: -56.852
Base-Backbone interact. energy: -0.012
local terms energy: -66.498131
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -11.017
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: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -190.593690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.593690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.593690 (E_RNA)
where:
Base-Base interactions energy: -124.031
where: short stacking energy: -48.220
Base-Backbone interact. energy: -1.153
local terms energy: -65.409023
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.698
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: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -164.406941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.406941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.406941 (E_RNA)
where:
Base-Base interactions energy: -96.709
where: short stacking energy: -52.649
Base-Backbone interact. energy: -0.048
local terms energy: -67.649925
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -104.815769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.815769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.815769 (E_RNA)
where:
Base-Base interactions energy: -44.753
where: short stacking energy: -26.053
Base-Backbone interact. energy: -1.162
local terms energy: -58.901521
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -9.039
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: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -89.314616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.314616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.314616 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -39.615
Base-Backbone interact. energy: -0.335
local terms energy: -49.364090
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -91.755736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.755736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.755736 (E_RNA)
where:
Base-Base interactions energy: -35.789
where: short stacking energy: -35.369
Base-Backbone interact. energy: -0.013
local terms energy: -55.953264
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -78.463640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.463640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.463640 (E_RNA)
where:
Base-Base interactions energy: -37.617
where: short stacking energy: -28.978
Base-Backbone interact. energy: 0.462
local terms energy: -41.307937
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -84.760611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.760611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.760611 (E_RNA)
where:
Base-Base interactions energy: -39.916
where: short stacking energy: -26.917
Base-Backbone interact. energy: -0.024
local terms energy: -44.820638
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -206.866416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.866416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.866416 (E_RNA)
where:
Base-Base interactions energy: -131.209
where: short stacking energy: -67.620
Base-Backbone interact. energy: -0.070
local terms energy: -75.587368
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -22.166
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: 2, replica: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -198.406387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.406387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.406387 (E_RNA)
where:
Base-Base interactions energy: -127.299
where: short stacking energy: -60.084
Base-Backbone interact. energy: -1.163
local terms energy: -69.944873
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -189.273792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.273792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.273792 (E_RNA)
where:
Base-Base interactions energy: -116.176
where: short stacking energy: -61.566
Base-Backbone interact. energy: -0.062
local terms energy: -73.035754
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -18.791
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: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -167.169569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.169569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.169569 (E_RNA)
where:
Base-Base interactions energy: -96.936
where: short stacking energy: -39.861
Base-Backbone interact. energy: -0.460
local terms energy: -69.773473
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -13.559
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: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -171.359972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.359972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.359972 (E_RNA)
where:
Base-Base interactions energy: -100.430
where: short stacking energy: -53.731
Base-Backbone interact. energy: -0.055
local terms energy: -70.874502
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.112
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: 6, replica: 2
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -102.257656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.257656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.257656 (E_RNA)
where:
Base-Base interactions energy: -37.090
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.027
local terms energy: -65.141088
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -99.577372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.577372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.577372 (E_RNA)
where:
Base-Base interactions energy: -45.279
where: short stacking energy: -37.055
Base-Backbone interact. energy: -0.540
local terms energy: -53.758390
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -9.978
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: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -105.799029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.799029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.799029 (E_RNA)
where:
Base-Base interactions energy: -50.223
where: short stacking energy: -37.229
Base-Backbone interact. energy: -0.076
local terms energy: -55.500416
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -84.962780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.962780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.962780 (E_RNA)
where:
Base-Base interactions energy: -40.776
where: short stacking energy: -36.574
Base-Backbone interact. energy: -0.212
local terms energy: -43.974006
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -82.922356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.922356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.922356 (E_RNA)
where:
Base-Base interactions energy: -35.918
where: short stacking energy: -33.243
Base-Backbone interact. energy: -0.096
local terms energy: -46.909161
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -6.651
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: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -210.989152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.989152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.989152 (E_RNA)
where:
Base-Base interactions energy: -135.100
where: short stacking energy: -80.207
Base-Backbone interact. energy: 0.333
local terms energy: -76.221719
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -22.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -189.783436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.783436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.783436 (E_RNA)
where:
Base-Base interactions energy: -129.575
where: short stacking energy: -64.301
Base-Backbone interact. energy: -0.060
local terms energy: -60.147801
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -6.756
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -5.989
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: 3, replica: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -192.015528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.015528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.015528 (E_RNA)
where:
Base-Base interactions energy: -127.892
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.006
local terms energy: -64.117584
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -11.514
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: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -161.558288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.558288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.558288 (E_RNA)
where:
Base-Base interactions energy: -98.006
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.076
local terms energy: -63.476665
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -162.725202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.725202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.725202 (E_RNA)
where:
Base-Base interactions energy: -91.226
where: short stacking energy: -51.021
Base-Backbone interact. energy: -0.005
local terms energy: -71.494260
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -99.927385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.927385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.927385 (E_RNA)
where:
Base-Base interactions energy: -40.696
where: short stacking energy: -31.598
Base-Backbone interact. energy: -0.024
local terms energy: -59.206981
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -102.838765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.838765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.838765 (E_RNA)
where:
Base-Base interactions energy: -57.223
where: short stacking energy: -42.665
Base-Backbone interact. energy: -0.126
local terms energy: -45.489756
where:
bonds (distance) C4'-P energy: -8.796
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -87.069550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.069550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.069550 (E_RNA)
where:
Base-Base interactions energy: -33.924
where: short stacking energy: -33.924
Base-Backbone interact. energy: -0.009
local terms energy: -53.136381
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -81.647217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.647217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.647217 (E_RNA)
where:
Base-Base interactions energy: -30.181
where: short stacking energy: -30.362
Base-Backbone interact. energy: -0.288
local terms energy: -51.178584
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -77.053875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.053875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.053875 (E_RNA)
where:
Base-Base interactions energy: -24.253
where: short stacking energy: -24.253
Base-Backbone interact. energy: -0.342
local terms energy: -52.459177
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -206.607353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.607353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.607353 (E_RNA)
where:
Base-Base interactions energy: -133.348
where: short stacking energy: -67.186
Base-Backbone interact. energy: 0.518
local terms energy: -73.777098
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -20.160
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: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -198.925495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.925495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.925495 (E_RNA)
where:
Base-Base interactions energy: -122.072
where: short stacking energy: -68.035
Base-Backbone interact. energy: -0.003
local terms energy: -76.850587
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -19.245
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: 3, replica: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -191.670770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.670770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.670770 (E_RNA)
where:
Base-Base interactions energy: -117.345
where: short stacking energy: -62.458
Base-Backbone interact. energy: 0.518
local terms energy: -74.843802
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -153.816473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.816473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.816473 (E_RNA)
where:
Base-Base interactions energy: -95.714
where: short stacking energy: -39.457
Base-Backbone interact. energy: -0.012
local terms energy: -58.090011
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -159.303060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.303060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.303060 (E_RNA)
where:
Base-Base interactions energy: -101.542
where: short stacking energy: -52.222
Base-Backbone interact. energy: -0.403
local terms energy: -57.358354
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -111.182628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.182628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.182628 (E_RNA)
where:
Base-Base interactions energy: -51.620
where: short stacking energy: -51.620
Base-Backbone interact. energy: -0.005
local terms energy: -59.558512
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -13.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -84.762528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.762528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.762528 (E_RNA)
where:
Base-Base interactions energy: -33.005
where: short stacking energy: -27.309
Base-Backbone interact. energy: -0.178
local terms energy: -51.580025
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -86.415495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.415495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.415495 (E_RNA)
where:
Base-Base interactions energy: -38.188
where: short stacking energy: -38.188
Base-Backbone interact. energy: -0.052
local terms energy: -48.175679
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -3.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -94.829539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.829539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.829539 (E_RNA)
where:
Base-Base interactions energy: -47.110
where: short stacking energy: -28.551
Base-Backbone interact. energy: -0.108
local terms energy: -47.611940
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -9.722
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: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -81.644462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.644462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.644462 (E_RNA)
where:
Base-Base interactions energy: -24.978
where: short stacking energy: -23.573
Base-Backbone interact. energy: -0.349
local terms energy: -56.316942
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -211.163081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.163081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.163081 (E_RNA)
where:
Base-Base interactions energy: -133.623
where: short stacking energy: -69.758
Base-Backbone interact. energy: -0.001
local terms energy: -77.538546
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -199.586006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.586006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.586006 (E_RNA)
where:
Base-Base interactions energy: -126.845
where: short stacking energy: -62.594
Base-Backbone interact. energy: -0.073
local terms energy: -72.667318
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -14.401
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: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -190.843532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.843532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.843532 (E_RNA)
where:
Base-Base interactions energy: -128.183
where: short stacking energy: -52.579
Base-Backbone interact. energy: -0.324
local terms energy: -62.337226
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -154.579722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.579722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.579722 (E_RNA)
where:
Base-Base interactions energy: -85.824
where: short stacking energy: -44.994
Base-Backbone interact. energy: -1.498
local terms energy: -67.258176
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -9.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -160.738253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.738253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.738253 (E_RNA)
where:
Base-Base interactions energy: -101.181
where: short stacking energy: -45.833
Base-Backbone interact. energy: -0.064
local terms energy: -59.493175
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -10.065
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -9.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -91.820449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.820449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.820449 (E_RNA)
where:
Base-Base interactions energy: -39.737
where: short stacking energy: -29.738
Base-Backbone interact. energy: -0.126
local terms energy: -51.956640
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -6.611
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: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -93.636107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.636107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.636107 (E_RNA)
where:
Base-Base interactions energy: -38.242
where: short stacking energy: -38.184
Base-Backbone interact. energy: -0.435
local terms energy: -54.958972
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -92.758489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.758489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.758489 (E_RNA)
where:
Base-Base interactions energy: -40.184
where: short stacking energy: -21.842
Base-Backbone interact. energy: -0.346
local terms energy: -52.228913
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: 0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -82.743623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.743623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.743623 (E_RNA)
where:
Base-Base interactions energy: -39.143
where: short stacking energy: -35.758
Base-Backbone interact. energy: 1.084
local terms energy: -44.685003
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -74.234528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.234528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.234528 (E_RNA)
where:
Base-Base interactions energy: -21.694
where: short stacking energy: -21.694
Base-Backbone interact. energy: -0.342
local terms energy: -52.198381
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -11.183
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: 1, replica: 10
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -198.205161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.205161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.205161 (E_RNA)
where:
Base-Base interactions energy: -125.383
where: short stacking energy: -65.505
Base-Backbone interact. energy: -0.411
local terms energy: -72.410387
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -16.124
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: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -208.119022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.119022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.119022 (E_RNA)
where:
Base-Base interactions energy: -139.110
where: short stacking energy: -65.914
Base-Backbone interact. energy: -0.047
local terms energy: -68.961301
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -11.110
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: 3, replica: 9
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -181.284518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.284518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.284518 (E_RNA)
where:
Base-Base interactions energy: -118.319
where: short stacking energy: -63.035
Base-Backbone interact. energy: -0.039
local terms energy: -62.926338
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -153.204018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.204018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.204018 (E_RNA)
where:
Base-Base interactions energy: -99.645
where: short stacking energy: -48.007
Base-Backbone interact. energy: 0.123
local terms energy: -53.681974
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -169.406006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.406006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.406006 (E_RNA)
where:
Base-Base interactions energy: -108.364
where: short stacking energy: -59.343
Base-Backbone interact. energy: -0.023
local terms energy: -61.018787
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -13.067
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: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -99.237133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.237133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.237133 (E_RNA)
where:
Base-Base interactions energy: -43.418
where: short stacking energy: -41.479
Base-Backbone interact. energy: -0.017
local terms energy: -55.802316
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -84.312868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.312868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.312868 (E_RNA)
where:
Base-Base interactions energy: -32.933
where: short stacking energy: -32.062
Base-Backbone interact. energy: -0.794
local terms energy: -50.585523
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -3.697
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -84.564280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.564280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.564280 (E_RNA)
where:
Base-Base interactions energy: -39.728
where: short stacking energy: -29.584
Base-Backbone interact. energy: -0.213
local terms energy: -44.623079
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -4.398
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: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -87.156625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.156625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.156625 (E_RNA)
where:
Base-Base interactions energy: -36.832
where: short stacking energy: -31.252
Base-Backbone interact. energy: -0.100
local terms energy: -50.224826
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -81.110491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.110491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.110491 (E_RNA)
where:
Base-Base interactions energy: -37.051
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.047
local terms energy: -44.013001
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -2.163
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -210.853724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.853724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.853724 (E_RNA)
where:
Base-Base interactions energy: -141.371
where: short stacking energy: -67.459
Base-Backbone interact. energy: -0.142
local terms energy: -69.340429
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -198.889275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.889275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.889275 (E_RNA)
where:
Base-Base interactions energy: -127.908
where: short stacking energy: -64.302
Base-Backbone interact. energy: -0.119
local terms energy: -70.862741
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -179.908349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.908349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.908349 (E_RNA)
where:
Base-Base interactions energy: -110.469
where: short stacking energy: -55.569
Base-Backbone interact. energy: -0.275
local terms energy: -69.165080
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -180.396808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.396808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.396808 (E_RNA)
where:
Base-Base interactions energy: -114.149
where: short stacking energy: -47.844
Base-Backbone interact. energy: -0.670
local terms energy: -65.578261
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -8.511
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: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -152.903394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.903394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.903394 (E_RNA)
where:
Base-Base interactions energy: -98.551
where: short stacking energy: -56.396
Base-Backbone interact. energy: -0.158
local terms energy: -54.194582
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -98.354894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.354894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.354894 (E_RNA)
where:
Base-Base interactions energy: -41.373
where: short stacking energy: -38.743
Base-Backbone interact. energy: -0.087
local terms energy: -56.895764
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -10.379
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: 7, replica: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -79.235522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235522 (E_RNA)
where:
Base-Base interactions energy: -33.001
where: short stacking energy: -15.135
Base-Backbone interact. energy: -0.633
local terms energy: -45.601280
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: 1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -88.182049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.182049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.182049 (E_RNA)
where:
Base-Base interactions energy: -47.737
where: short stacking energy: -26.325
Base-Backbone interact. energy: -0.305
local terms energy: -40.140239
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -5.498
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -1.772
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: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -84.069974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.069974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.069974 (E_RNA)
where:
Base-Base interactions energy: -32.232
where: short stacking energy: -30.453
Base-Backbone interact. energy: -0.359
local terms energy: -51.479471
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -80.876536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.876536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.876536 (E_RNA)
where:
Base-Base interactions energy: -40.380
where: short stacking energy: -28.320
Base-Backbone interact. energy: -0.464
local terms energy: -40.031891
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -6.717
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: 0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 8 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 17223672
moves confirmed later: 20140585
all moves confirmed: 37364257
percent of confirmed moves: 4.670532
current total energy: -180.241514
recalc. total energy: -180.241514
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 20578292
moves confirmed later: 24635155
all moves confirmed: 45213447
percent of confirmed moves: 5.651681
current total energy: -173.305968
recalc. total energy: -173.305968
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 19307770
moves confirmed later: 22962638
all moves confirmed: 42270408
percent of confirmed moves: 5.283801
current total energy: -130.890988
recalc. total energy: -130.890988
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 16685772
moves confirmed later: 19473302
all moves confirmed: 36159074
percent of confirmed moves: 4.519884
current total energy: -126.167758
recalc. total energy: -126.167758
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 21846117
moves confirmed later: 26306893
all moves confirmed: 48153010
percent of confirmed moves: 6.019126
current total energy: -33.954343
recalc. total energy: -33.954343
replica 4 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 17452487
moves confirmed later: 20462355
all moves confirmed: 37914842
percent of confirmed moves: 4.739355
current total energy: -90.939985
recalc. total energy: -90.939985
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 19223056
moves confirmed later: 22803348
all moves confirmed: 42026404
percent of confirmed moves: 5.253300
current total energy: -46.493837
recalc. total energy: -46.493837
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 17092284
moves confirmed later: 20010686
all moves confirmed: 37102970
percent of confirmed moves: 4.637871
current total energy: -26.216026
recalc. total energy: -26.216026
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 18728430
moves confirmed later: 22237201
all moves confirmed: 40965631
percent of confirmed moves: 5.120704
current total energy: -40.769322
recalc. total energy: -40.769322
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 24200715
moves confirmed later: 29489424
all moves confirmed: 53690139
percent of confirmed moves: 6.711267
current total energy: -28.816667
recalc. total energy: -28.816667
out arg RESULTS//1/D1-6cd97745_01
Time of doing 8000000 iterations: 2612.926 seconds