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/ttt-8e71d6a1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ttt-8e71d6a1/inputs/seq.fa: 1
curr_seq: _uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/ttt-8e71d6a1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ttt-8e71d6a1/inputs/seq.fa: 1
curr_seq: _uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/ttt-8e71d6a1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ttt-8e71d6a1/inputs/seq.fa: 1
curr_seq: _uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/ttt-8e71d6a1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ttt-8e71d6a1/inputs/seq.fa: 1
curr_seq: _uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/ttt-8e71d6a1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ttt-8e71d6a1/inputs/seq.fa: 1
curr_seq: _uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/ttt-8e71d6a1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ttt-8e71d6a1/inputs/seq.fa: 1
curr_seq: _uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/ttt-8e71d6a1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ttt-8e71d6a1/inputs/seq.fa: 1
curr_seq: _uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/ttt-8e71d6a1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ttt-8e71d6a1/inputs/seq.fa: 1
curr_seq: _uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/ttt-8e71d6a1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ttt-8e71d6a1/inputs/seq.fa: 1
curr_seq: _uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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/ttt-8e71d6a1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ttt-8e71d6a1/inputs/seq.fa: 1
curr_seq: _uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: uaaUUCUAGGCGACUAGUaaacaaacaaaGCUCGUAGCGGGAGCCGGACCCUCCGCCUCACGGUGGUCAAAACUCCGCCUGACGAGACCCUUUGCGGCAGGGGUUGAAACGAGCaaaaagaaaaauaaaaaGCGGCCGCUGGCCGC
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 146 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: 735
n_atoms_counter: 735
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 146.000000 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: -583.596137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.596137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.596137 (E_RNA)
where:
Base-Base interactions energy: -15.209
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -583.596137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.596137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.596137 (E_RNA)
where:
Base-Base interactions energy: -15.209
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -583.596137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.596137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.596137 (E_RNA)
where:
Base-Base interactions energy: -15.209
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -583.596137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.596137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.596137 (E_RNA)
where:
Base-Base interactions energy: -15.209
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -583.596137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.596137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.596137 (E_RNA)
where:
Base-Base interactions energy: -15.209
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -583.596137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.596137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.596137 (E_RNA)
where:
Base-Base interactions energy: -15.209
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -583.596137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.596137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.596137 (E_RNA)
where:
Base-Base interactions energy: -15.209
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -583.596137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.596137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.596137 (E_RNA)
where:
Base-Base interactions energy: -15.209
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -583.596137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.596137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.596137 (E_RNA)
where:
Base-Base interactions energy: -15.209
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -583.596137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.596137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.596137 (E_RNA)
where:
Base-Base interactions energy: -15.209
where: short stacking energy: -15.209
Base-Backbone interact. energy: -0.000
local terms energy: -568.387063
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -122.622
tors. eta vs tors. theta energy: -65.204
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -753.152138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.152138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.152138 (E_RNA)
where:
Base-Base interactions energy: -330.698
where: short stacking energy: -330.192
Base-Backbone interact. energy: 0.167
local terms energy: -422.620963
where:
bonds (distance) C4'-P energy: -91.210
bonds (distance) P-C4' energy: -96.444
flat angles C4'-P-C4' energy: -88.895
flat angles P-C4'-P energy: -56.573
tors. eta vs tors. theta energy: -89.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -738.101412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.101412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.101412 (E_RNA)
where:
Base-Base interactions energy: -313.441
where: short stacking energy: -304.497
Base-Backbone interact. energy: -0.173
local terms energy: -424.487889
where:
bonds (distance) C4'-P energy: -99.230
bonds (distance) P-C4' energy: -83.425
flat angles C4'-P-C4' energy: -94.523
flat angles P-C4'-P energy: -66.680
tors. eta vs tors. theta energy: -80.630
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -665.610446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.610446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.610446 (E_RNA)
where:
Base-Base interactions energy: -268.409
where: short stacking energy: -268.409
Base-Backbone interact. energy: 0.284
local terms energy: -397.485651
where:
bonds (distance) C4'-P energy: -89.346
bonds (distance) P-C4' energy: -82.048
flat angles C4'-P-C4' energy: -99.386
flat angles P-C4'-P energy: -61.986
tors. eta vs tors. theta energy: -64.720
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -599.886514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.886514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.886514 (E_RNA)
where:
Base-Base interactions energy: -188.454
where: short stacking energy: -188.454
Base-Backbone interact. energy: -0.001
local terms energy: -411.431383
where:
bonds (distance) C4'-P energy: -82.089
bonds (distance) P-C4' energy: -96.230
flat angles C4'-P-C4' energy: -99.234
flat angles P-C4'-P energy: -81.257
tors. eta vs tors. theta energy: -52.622
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -589.181556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.181556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.181556 (E_RNA)
where:
Base-Base interactions energy: -59.606
where: short stacking energy: -59.606
Base-Backbone interact. energy: -0.000
local terms energy: -529.575596
where:
bonds (distance) C4'-P energy: -118.127
bonds (distance) P-C4' energy: -118.263
flat angles C4'-P-C4' energy: -107.230
flat angles P-C4'-P energy: -115.546
tors. eta vs tors. theta energy: -70.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -587.125718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.125718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.125718 (E_RNA)
where:
Base-Base interactions energy: -22.301
where: short stacking energy: -22.301
Base-Backbone interact. energy: -0.000
local terms energy: -564.825032
where:
bonds (distance) C4'-P energy: -140.352
bonds (distance) P-C4' energy: -129.260
flat angles C4'-P-C4' energy: -107.006
flat angles P-C4'-P energy: -122.164
tors. eta vs tors. theta energy: -66.043
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -587.185191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.185191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.185191 (E_RNA)
where:
Base-Base interactions energy: -22.290
where: short stacking energy: -22.290
Base-Backbone interact. energy: -0.000
local terms energy: -564.895203
where:
bonds (distance) C4'-P energy: -140.352
bonds (distance) P-C4' energy: -129.260
flat angles C4'-P-C4' energy: -107.006
flat angles P-C4'-P energy: -122.201
tors. eta vs tors. theta energy: -66.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -587.545320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.545320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.545320 (E_RNA)
where:
Base-Base interactions energy: -21.995
where: short stacking energy: -21.995
Base-Backbone interact. energy: -0.000
local terms energy: -565.550589
where:
bonds (distance) C4'-P energy: -140.878
bonds (distance) P-C4' energy: -129.500
flat angles C4'-P-C4' energy: -106.900
flat angles P-C4'-P energy: -122.144
tors. eta vs tors. theta energy: -66.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -586.819786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.819786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.819786 (E_RNA)
where:
Base-Base interactions energy: -21.554
where: short stacking energy: -21.554
Base-Backbone interact. energy: -0.000
local terms energy: -565.265459
where:
bonds (distance) C4'-P energy: -140.878
bonds (distance) P-C4' energy: -129.500
flat angles C4'-P-C4' energy: -106.900
flat angles P-C4'-P energy: -122.144
tors. eta vs tors. theta energy: -65.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -586.809048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.809048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.809048 (E_RNA)
where:
Base-Base interactions energy: -21.543
where: short stacking energy: -21.543
Base-Backbone interact. energy: -0.000
local terms energy: -565.265459
where:
bonds (distance) C4'-P energy: -140.878
bonds (distance) P-C4' energy: -129.500
flat angles C4'-P-C4' energy: -106.900
flat angles P-C4'-P energy: -122.144
tors. eta vs tors. theta energy: -65.844
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -777.517590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.517590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.517590 (E_RNA)
where:
Base-Base interactions energy: -342.970
where: short stacking energy: -341.742
Base-Backbone interact. energy: 0.065
local terms energy: -434.613149
where:
bonds (distance) C4'-P energy: -88.056
bonds (distance) P-C4' energy: -100.283
flat angles C4'-P-C4' energy: -102.245
flat angles P-C4'-P energy: -63.493
tors. eta vs tors. theta energy: -80.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -754.724989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.724989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.724989 (E_RNA)
where:
Base-Base interactions energy: -349.767
where: short stacking energy: -324.111
Base-Backbone interact. energy: -0.265
local terms energy: -404.693041
where:
bonds (distance) C4'-P energy: -83.576
bonds (distance) P-C4' energy: -103.319
flat angles C4'-P-C4' energy: -83.714
flat angles P-C4'-P energy: -48.917
tors. eta vs tors. theta energy: -85.167
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: 3
Temperature: 1.000000
Total energy: -704.079223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.079223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.079223 (E_RNA)
where:
Base-Base interactions energy: -340.797
where: short stacking energy: -268.002
Base-Backbone interact. energy: -0.507
local terms energy: -362.774559
where:
bonds (distance) C4'-P energy: -81.804
bonds (distance) P-C4' energy: -86.788
flat angles C4'-P-C4' energy: -82.100
flat angles P-C4'-P energy: -63.586
tors. eta vs tors. theta energy: -48.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -619.372727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.372727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.372727 (E_RNA)
where:
Base-Base interactions energy: -264.037
where: short stacking energy: -247.354
Base-Backbone interact. energy: -1.573
local terms energy: -353.762284
where:
bonds (distance) C4'-P energy: -75.374
bonds (distance) P-C4' energy: -85.050
flat angles C4'-P-C4' energy: -84.882
flat angles P-C4'-P energy: -61.482
tors. eta vs tors. theta energy: -46.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -619.147201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.147201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.147201 (E_RNA)
where:
Base-Base interactions energy: -267.932
where: short stacking energy: -241.282
Base-Backbone interact. energy: 0.185
local terms energy: -351.399748
where:
bonds (distance) C4'-P energy: -85.306
bonds (distance) P-C4' energy: -91.057
flat angles C4'-P-C4' energy: -74.731
flat angles P-C4'-P energy: -49.408
tors. eta vs tors. theta energy: -50.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -559.789382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.789382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.789382 (E_RNA)
where:
Base-Base interactions energy: -240.148
where: short stacking energy: -173.019
Base-Backbone interact. energy: -1.084
local terms energy: -318.558297
where:
bonds (distance) C4'-P energy: -89.790
bonds (distance) P-C4' energy: -86.950
flat angles C4'-P-C4' energy: -82.665
flat angles P-C4'-P energy: -38.405
tors. eta vs tors. theta energy: -20.749
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: 3
Temperature: 1.200000
Total energy: -496.247126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.247126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.247126 (E_RNA)
where:
Base-Base interactions energy: -212.379
where: short stacking energy: -170.996
Base-Backbone interact. energy: 6.254
local terms energy: -290.121619
where:
bonds (distance) C4'-P energy: -83.321
bonds (distance) P-C4' energy: -86.380
flat angles C4'-P-C4' energy: -64.004
flat angles P-C4'-P energy: -54.497
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -532.864731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.864731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.864731 (E_RNA)
where:
Base-Base interactions energy: -257.317
where: short stacking energy: -175.369
Base-Backbone interact. energy: -2.253
local terms energy: -273.295522
where:
bonds (distance) C4'-P energy: -79.200
bonds (distance) P-C4' energy: -81.805
flat angles C4'-P-C4' energy: -65.061
flat angles P-C4'-P energy: -45.592
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -395.525170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.525170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.525170 (E_RNA)
where:
Base-Base interactions energy: -132.822
where: short stacking energy: -121.994
Base-Backbone interact. energy: 1.034
local terms energy: -263.736733
where:
bonds (distance) C4'-P energy: -80.271
bonds (distance) P-C4' energy: -93.239
flat angles C4'-P-C4' energy: -68.232
flat angles P-C4'-P energy: -32.953
tors. eta vs tors. theta energy: 10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -383.436103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.436103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.436103 (E_RNA)
where:
Base-Base interactions energy: -141.200
where: short stacking energy: -101.207
Base-Backbone interact. energy: 1.661
local terms energy: -243.897532
where:
bonds (distance) C4'-P energy: -70.478
bonds (distance) P-C4' energy: -65.102
flat angles C4'-P-C4' energy: -67.623
flat angles P-C4'-P energy: -45.984
tors. eta vs tors. theta energy: 5.289
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: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -827.938598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.938598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.938598 (E_RNA)
where:
Base-Base interactions energy: -370.396
where: short stacking energy: -358.958
Base-Backbone interact. energy: -0.262
local terms energy: -457.279887
where:
bonds (distance) C4'-P energy: -99.801
bonds (distance) P-C4' energy: -97.863
flat angles C4'-P-C4' energy: -100.101
flat angles P-C4'-P energy: -59.850
tors. eta vs tors. theta energy: -99.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -784.257221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.257221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.257221 (E_RNA)
where:
Base-Base interactions energy: -371.263
where: short stacking energy: -341.126
Base-Backbone interact. energy: -1.071
local terms energy: -411.922832
where:
bonds (distance) C4'-P energy: -86.395
bonds (distance) P-C4' energy: -97.015
flat angles C4'-P-C4' energy: -92.606
flat angles P-C4'-P energy: -58.162
tors. eta vs tors. theta energy: -77.744
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: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -707.983797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.983797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.983797 (E_RNA)
where:
Base-Base interactions energy: -334.237
where: short stacking energy: -280.054
Base-Backbone interact. energy: 1.221
local terms energy: -374.968102
where:
bonds (distance) C4'-P energy: -77.677
bonds (distance) P-C4' energy: -90.875
flat angles C4'-P-C4' energy: -82.844
flat angles P-C4'-P energy: -62.480
tors. eta vs tors. theta energy: -61.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -674.494083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.494083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.494083 (E_RNA)
where:
Base-Base interactions energy: -329.998
where: short stacking energy: -237.843
Base-Backbone interact. energy: -0.950
local terms energy: -343.546867
where:
bonds (distance) C4'-P energy: -83.597
bonds (distance) P-C4' energy: -83.482
flat angles C4'-P-C4' energy: -85.081
flat angles P-C4'-P energy: -47.750
tors. eta vs tors. theta energy: -43.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -659.950568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.950568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.950568 (E_RNA)
where:
Base-Base interactions energy: -315.587
where: short stacking energy: -256.641
Base-Backbone interact. energy: -2.103
local terms energy: -342.260337
where:
bonds (distance) C4'-P energy: -72.166
bonds (distance) P-C4' energy: -86.592
flat angles C4'-P-C4' energy: -94.150
flat angles P-C4'-P energy: -42.341
tors. eta vs tors. theta energy: -47.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -516.213812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.213812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.213812 (E_RNA)
where:
Base-Base interactions energy: -202.335
where: short stacking energy: -173.774
Base-Backbone interact. energy: 0.068
local terms energy: -313.946770
where:
bonds (distance) C4'-P energy: -80.175
bonds (distance) P-C4' energy: -85.496
flat angles C4'-P-C4' energy: -78.431
flat angles P-C4'-P energy: -41.932
tors. eta vs tors. theta energy: -27.912
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: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -582.199764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.199764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.199764 (E_RNA)
where:
Base-Base interactions energy: -275.140
where: short stacking energy: -170.352
Base-Backbone interact. energy: -0.904
local terms energy: -306.155175
where:
bonds (distance) C4'-P energy: -84.969
bonds (distance) P-C4' energy: -87.187
flat angles C4'-P-C4' energy: -72.809
flat angles P-C4'-P energy: -45.763
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: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -519.239637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.239637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.239637 (E_RNA)
where:
Base-Base interactions energy: -244.872
where: short stacking energy: -154.729
Base-Backbone interact. energy: 0.467
local terms energy: -274.834570
where:
bonds (distance) C4'-P energy: -76.414
bonds (distance) P-C4' energy: -88.375
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -38.544
tors. eta vs tors. theta energy: -11.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -443.401702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.401702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.401702 (E_RNA)
where:
Base-Base interactions energy: -187.666
where: short stacking energy: -132.922
Base-Backbone interact. energy: 1.810
local terms energy: -257.545707
where:
bonds (distance) C4'-P energy: -78.450
bonds (distance) P-C4' energy: -71.758
flat angles C4'-P-C4' energy: -72.380
flat angles P-C4'-P energy: -38.320
tors. eta vs tors. theta energy: 3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -424.387344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.387344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.387344 (E_RNA)
where:
Base-Base interactions energy: -165.535
where: short stacking energy: -128.713
Base-Backbone interact. energy: 2.879
local terms energy: -261.730885
where:
bonds (distance) C4'-P energy: -69.261
bonds (distance) P-C4' energy: -86.985
flat angles C4'-P-C4' energy: -69.041
flat angles P-C4'-P energy: -43.963
tors. eta vs tors. theta energy: 7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -906.585733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.585733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.585733 (E_RNA)
where:
Base-Base interactions energy: -467.551
where: short stacking energy: -381.263
Base-Backbone interact. energy: 0.085
local terms energy: -439.120244
where:
bonds (distance) C4'-P energy: -98.229
bonds (distance) P-C4' energy: -89.530
flat angles C4'-P-C4' energy: -94.351
flat angles P-C4'-P energy: -56.952
tors. eta vs tors. theta energy: -100.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -803.220436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.220436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.220436 (E_RNA)
where:
Base-Base interactions energy: -371.683
where: short stacking energy: -328.447
Base-Backbone interact. energy: -0.900
local terms energy: -430.637655
where:
bonds (distance) C4'-P energy: -91.514
bonds (distance) P-C4' energy: -88.270
flat angles C4'-P-C4' energy: -94.947
flat angles P-C4'-P energy: -69.053
tors. eta vs tors. theta energy: -86.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -736.693065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.693065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.693065 (E_RNA)
where:
Base-Base interactions energy: -347.408
where: short stacking energy: -264.148
Base-Backbone interact. energy: -1.285
local terms energy: -387.999849
where:
bonds (distance) C4'-P energy: -76.083
bonds (distance) P-C4' energy: -89.069
flat angles C4'-P-C4' energy: -88.944
flat angles P-C4'-P energy: -66.495
tors. eta vs tors. theta energy: -67.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -697.389493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.389493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.389493 (E_RNA)
where:
Base-Base interactions energy: -367.033
where: short stacking energy: -225.459
Base-Backbone interact. energy: 3.468
local terms energy: -333.824262
where:
bonds (distance) C4'-P energy: -86.359
bonds (distance) P-C4' energy: -89.324
flat angles C4'-P-C4' energy: -71.770
flat angles P-C4'-P energy: -57.428
tors. eta vs tors. theta energy: -28.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -685.562379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.562379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.562379 (E_RNA)
where:
Base-Base interactions energy: -346.654
where: short stacking energy: -229.962
Base-Backbone interact. energy: -2.089
local terms energy: -336.818897
where:
bonds (distance) C4'-P energy: -94.204
bonds (distance) P-C4' energy: -82.694
flat angles C4'-P-C4' energy: -73.466
flat angles P-C4'-P energy: -34.101
tors. eta vs tors. theta energy: -52.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -635.721442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.721442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.721442 (E_RNA)
where:
Base-Base interactions energy: -324.444
where: short stacking energy: -189.541
Base-Backbone interact. energy: -0.654
local terms energy: -310.623717
where:
bonds (distance) C4'-P energy: -83.809
bonds (distance) P-C4' energy: -94.525
flat angles C4'-P-C4' energy: -79.515
flat angles P-C4'-P energy: -38.660
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -516.850563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.850563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.850563 (E_RNA)
where:
Base-Base interactions energy: -218.155
where: short stacking energy: -156.820
Base-Backbone interact. energy: -1.388
local terms energy: -297.307584
where:
bonds (distance) C4'-P energy: -64.880
bonds (distance) P-C4' energy: -93.566
flat angles C4'-P-C4' energy: -83.338
flat angles P-C4'-P energy: -41.172
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: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -536.677616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.677616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.677616 (E_RNA)
where:
Base-Base interactions energy: -274.162
where: short stacking energy: -164.233
Base-Backbone interact. energy: -0.734
local terms energy: -261.781065
where:
bonds (distance) C4'-P energy: -81.987
bonds (distance) P-C4' energy: -59.852
flat angles C4'-P-C4' energy: -62.320
flat angles P-C4'-P energy: -45.571
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -425.836131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.836131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.836131 (E_RNA)
where:
Base-Base interactions energy: -188.680
where: short stacking energy: -131.159
Base-Backbone interact. energy: -1.597
local terms energy: -235.558794
where:
bonds (distance) C4'-P energy: -79.285
bonds (distance) P-C4' energy: -63.466
flat angles C4'-P-C4' energy: -67.706
flat angles P-C4'-P energy: -28.385
tors. eta vs tors. theta energy: 3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -411.593745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.593745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.593745 (E_RNA)
where:
Base-Base interactions energy: -139.614
where: short stacking energy: -104.860
Base-Backbone interact. energy: 3.083
local terms energy: -275.062430
where:
bonds (distance) C4'-P energy: -92.494
bonds (distance) P-C4' energy: -76.888
flat angles C4'-P-C4' energy: -60.351
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: 5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -936.190550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.190550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.190550 (E_RNA)
where:
Base-Base interactions energy: -476.031
where: short stacking energy: -370.322
Base-Backbone interact. energy: -0.802
local terms energy: -459.356586
where:
bonds (distance) C4'-P energy: -101.941
bonds (distance) P-C4' energy: -85.620
flat angles C4'-P-C4' energy: -97.039
flat angles P-C4'-P energy: -69.010
tors. eta vs tors. theta energy: -105.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -848.601970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.601970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.601970 (E_RNA)
where:
Base-Base interactions energy: -434.681
where: short stacking energy: -306.596
Base-Backbone interact. energy: -0.858
local terms energy: -413.063000
where:
bonds (distance) C4'-P energy: -96.296
bonds (distance) P-C4' energy: -97.461
flat angles C4'-P-C4' energy: -86.404
flat angles P-C4'-P energy: -59.024
tors. eta vs tors. theta energy: -73.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -814.543008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.543008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.543008 (E_RNA)
where:
Base-Base interactions energy: -424.660
where: short stacking energy: -295.992
Base-Backbone interact. energy: -1.695
local terms energy: -388.187262
where:
bonds (distance) C4'-P energy: -89.365
bonds (distance) P-C4' energy: -80.176
flat angles C4'-P-C4' energy: -87.394
flat angles P-C4'-P energy: -59.845
tors. eta vs tors. theta energy: -71.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -835.912780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.912780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.912780 (E_RNA)
where:
Base-Base interactions energy: -436.633
where: short stacking energy: -294.518
Base-Backbone interact. energy: -1.157
local terms energy: -398.122124
where:
bonds (distance) C4'-P energy: -100.154
bonds (distance) P-C4' energy: -91.207
flat angles C4'-P-C4' energy: -87.929
flat angles P-C4'-P energy: -52.578
tors. eta vs tors. theta energy: -66.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -725.466562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.466562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.466562 (E_RNA)
where:
Base-Base interactions energy: -386.271
where: short stacking energy: -236.656
Base-Backbone interact. energy: -0.795
local terms energy: -338.400172
where:
bonds (distance) C4'-P energy: -82.762
bonds (distance) P-C4' energy: -79.634
flat angles C4'-P-C4' energy: -72.069
flat angles P-C4'-P energy: -59.746
tors. eta vs tors. theta energy: -44.189
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: 8
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -671.910235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.910235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.910235 (E_RNA)
where:
Base-Base interactions energy: -347.199
where: short stacking energy: -233.174
Base-Backbone interact. energy: -0.337
local terms energy: -324.373743
where:
bonds (distance) C4'-P energy: -72.792
bonds (distance) P-C4' energy: -94.697
flat angles C4'-P-C4' energy: -69.660
flat angles P-C4'-P energy: -46.757
tors. eta vs tors. theta energy: -40.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -573.193590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.193590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.193590 (E_RNA)
where:
Base-Base interactions energy: -280.649
where: short stacking energy: -175.431
Base-Backbone interact. energy: -1.816
local terms energy: -290.728727
where:
bonds (distance) C4'-P energy: -81.086
bonds (distance) P-C4' energy: -77.138
flat angles C4'-P-C4' energy: -71.241
flat angles P-C4'-P energy: -50.281
tors. eta vs tors. theta energy: -10.983
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: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -505.985033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.985033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.985033 (E_RNA)
where:
Base-Base interactions energy: -231.183
where: short stacking energy: -144.255
Base-Backbone interact. energy: -1.863
local terms energy: -272.938700
where:
bonds (distance) C4'-P energy: -79.066
bonds (distance) P-C4' energy: -80.090
flat angles C4'-P-C4' energy: -73.301
flat angles P-C4'-P energy: -32.495
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: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -382.962994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.962994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.962994 (E_RNA)
where:
Base-Base interactions energy: -151.374
where: short stacking energy: -122.370
Base-Backbone interact. energy: 0.090
local terms energy: -231.678586
where:
bonds (distance) C4'-P energy: -76.062
bonds (distance) P-C4' energy: -78.855
flat angles C4'-P-C4' energy: -60.243
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: 2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -398.985365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.985365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.985365 (E_RNA)
where:
Base-Base interactions energy: -151.177
where: short stacking energy: -125.303
Base-Backbone interact. energy: -0.799
local terms energy: -247.009307
where:
bonds (distance) C4'-P energy: -65.094
bonds (distance) P-C4' energy: -76.014
flat angles C4'-P-C4' energy: -65.092
flat angles P-C4'-P energy: -49.102
tors. eta vs tors. theta energy: 8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1011.712059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.712059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.712059 (E_RNA)
where:
Base-Base interactions energy: -587.381
where: short stacking energy: -397.594
Base-Backbone interact. energy: -0.723
local terms energy: -423.608617
where:
bonds (distance) C4'-P energy: -80.494
bonds (distance) P-C4' energy: -77.342
flat angles C4'-P-C4' energy: -97.638
flat angles P-C4'-P energy: -53.591
tors. eta vs tors. theta energy: -114.543
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: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -935.990627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.990627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.990627 (E_RNA)
where:
Base-Base interactions energy: -545.806
where: short stacking energy: -299.700
Base-Backbone interact. energy: -0.327
local terms energy: -389.857595
where:
bonds (distance) C4'-P energy: -93.149
bonds (distance) P-C4' energy: -90.471
flat angles C4'-P-C4' energy: -93.655
flat angles P-C4'-P energy: -51.630
tors. eta vs tors. theta energy: -60.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -892.100232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.100232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.100232 (E_RNA)
where:
Base-Base interactions energy: -516.388
where: short stacking energy: -304.444
Base-Backbone interact. energy: -1.263
local terms energy: -374.449585
where:
bonds (distance) C4'-P energy: -84.804
bonds (distance) P-C4' energy: -97.328
flat angles C4'-P-C4' energy: -79.193
flat angles P-C4'-P energy: -43.394
tors. eta vs tors. theta energy: -69.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -821.045841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.045841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.045841 (E_RNA)
where:
Base-Base interactions energy: -482.692
where: short stacking energy: -254.189
Base-Backbone interact. energy: 0.869
local terms energy: -339.222761
where:
bonds (distance) C4'-P energy: -64.066
bonds (distance) P-C4' energy: -83.158
flat angles C4'-P-C4' energy: -91.100
flat angles P-C4'-P energy: -51.608
tors. eta vs tors. theta energy: -49.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -786.935939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.935939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.935939 (E_RNA)
where:
Base-Base interactions energy: -426.389
where: short stacking energy: -223.186
Base-Backbone interact. energy: -0.646
local terms energy: -359.901743
where:
bonds (distance) C4'-P energy: -81.289
bonds (distance) P-C4' energy: -87.204
flat angles C4'-P-C4' energy: -83.783
flat angles P-C4'-P energy: -61.371
tors. eta vs tors. theta energy: -46.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -708.056758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.056758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.056758 (E_RNA)
where:
Base-Base interactions energy: -376.141
where: short stacking energy: -232.861
Base-Backbone interact. energy: -2.149
local terms energy: -329.766766
where:
bonds (distance) C4'-P energy: -79.103
bonds (distance) P-C4' energy: -83.988
flat angles C4'-P-C4' energy: -78.794
flat angles P-C4'-P energy: -41.065
tors. eta vs tors. theta energy: -46.817
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: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -617.548996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.548996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.548996 (E_RNA)
where:
Base-Base interactions energy: -319.106
where: short stacking energy: -202.002
Base-Backbone interact. energy: 0.639
local terms energy: -299.081311
where:
bonds (distance) C4'-P energy: -73.794
bonds (distance) P-C4' energy: -78.364
flat angles C4'-P-C4' energy: -89.756
flat angles P-C4'-P energy: -33.787
tors. eta vs tors. theta energy: -23.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -605.676263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.676263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.676263 (E_RNA)
where:
Base-Base interactions energy: -319.170
where: short stacking energy: -188.836
Base-Backbone interact. energy: -0.346
local terms energy: -286.159980
where:
bonds (distance) C4'-P energy: -70.106
bonds (distance) P-C4' energy: -71.062
flat angles C4'-P-C4' energy: -80.005
flat angles P-C4'-P energy: -40.774
tors. eta vs tors. theta energy: -24.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -405.919018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.919018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.919018 (E_RNA)
where:
Base-Base interactions energy: -135.942
where: short stacking energy: -114.297
Base-Backbone interact. energy: 3.501
local terms energy: -273.477998
where:
bonds (distance) C4'-P energy: -77.446
bonds (distance) P-C4' energy: -87.957
flat angles C4'-P-C4' energy: -69.787
flat angles P-C4'-P energy: -32.950
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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -371.682438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.682438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.682438 (E_RNA)
where:
Base-Base interactions energy: -129.425
where: short stacking energy: -95.995
Base-Backbone interact. energy: -2.885
local terms energy: -239.372842
where:
bonds (distance) C4'-P energy: -74.866
bonds (distance) P-C4' energy: -72.949
flat angles C4'-P-C4' energy: -68.100
flat angles P-C4'-P energy: -48.024
tors. eta vs tors. theta energy: 24.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1043.801887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.801887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.801887 (E_RNA)
where:
Base-Base interactions energy: -583.197
where: short stacking energy: -406.032
Base-Backbone interact. energy: -0.831
local terms energy: -459.773623
where:
bonds (distance) C4'-P energy: -91.536
bonds (distance) P-C4' energy: -97.780
flat angles C4'-P-C4' energy: -92.548
flat angles P-C4'-P energy: -72.034
tors. eta vs tors. theta energy: -105.876
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: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1001.717371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.717371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.717371 (E_RNA)
where:
Base-Base interactions energy: -609.349
where: short stacking energy: -317.794
Base-Backbone interact. energy: -2.091
local terms energy: -390.277521
where:
bonds (distance) C4'-P energy: -87.775
bonds (distance) P-C4' energy: -94.510
flat angles C4'-P-C4' energy: -90.650
flat angles P-C4'-P energy: -49.233
tors. eta vs tors. theta energy: -68.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -937.149551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.149551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.149551 (E_RNA)
where:
Base-Base interactions energy: -544.456
where: short stacking energy: -333.146
Base-Backbone interact. energy: -0.011
local terms energy: -392.682576
where:
bonds (distance) C4'-P energy: -84.446
bonds (distance) P-C4' energy: -88.354
flat angles C4'-P-C4' energy: -79.134
flat angles P-C4'-P energy: -56.542
tors. eta vs tors. theta energy: -84.206
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: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -886.995710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.995710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.995710 (E_RNA)
where:
Base-Base interactions energy: -516.095
where: short stacking energy: -309.673
Base-Backbone interact. energy: 2.728
local terms energy: -373.628406
where:
bonds (distance) C4'-P energy: -79.824
bonds (distance) P-C4' energy: -87.072
flat angles C4'-P-C4' energy: -89.419
flat angles P-C4'-P energy: -50.298
tors. eta vs tors. theta energy: -67.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -830.998255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.998255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.998255 (E_RNA)
where:
Base-Base interactions energy: -493.166
where: short stacking energy: -283.348
Base-Backbone interact. energy: -0.948
local terms energy: -336.883826
where:
bonds (distance) C4'-P energy: -67.851
bonds (distance) P-C4' energy: -83.339
flat angles C4'-P-C4' energy: -82.329
flat angles P-C4'-P energy: -43.196
tors. eta vs tors. theta energy: -60.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -721.741040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.741040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.741040 (E_RNA)
where:
Base-Base interactions energy: -385.028
where: short stacking energy: -206.332
Base-Backbone interact. energy: 1.978
local terms energy: -338.690984
where:
bonds (distance) C4'-P energy: -86.242
bonds (distance) P-C4' energy: -99.180
flat angles C4'-P-C4' energy: -69.042
flat angles P-C4'-P energy: -55.075
tors. eta vs tors. theta energy: -29.152
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: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -633.920787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.920787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.920787 (E_RNA)
where:
Base-Base interactions energy: -349.737
where: short stacking energy: -202.009
Base-Backbone interact. energy: 2.152
local terms energy: -286.336080
where:
bonds (distance) C4'-P energy: -90.156
bonds (distance) P-C4' energy: -65.507
flat angles C4'-P-C4' energy: -73.333
flat angles P-C4'-P energy: -43.471
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -602.107530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.107530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.107530 (E_RNA)
where:
Base-Base interactions energy: -315.549
where: short stacking energy: -171.623
Base-Backbone interact. energy: 1.787
local terms energy: -288.345279
where:
bonds (distance) C4'-P energy: -82.888
bonds (distance) P-C4' energy: -77.926
flat angles C4'-P-C4' energy: -70.195
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -408.009794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.009794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.009794 (E_RNA)
where:
Base-Base interactions energy: -147.352
where: short stacking energy: -128.263
Base-Backbone interact. energy: -1.501
local terms energy: -259.156448
where:
bonds (distance) C4'-P energy: -81.590
bonds (distance) P-C4' energy: -68.232
flat angles C4'-P-C4' energy: -73.025
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: 9.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -370.071358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.071358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.071358 (E_RNA)
where:
Base-Base interactions energy: -124.622
where: short stacking energy: -112.053
Base-Backbone interact. energy: 2.462
local terms energy: -247.911177
where:
bonds (distance) C4'-P energy: -81.924
bonds (distance) P-C4' energy: -97.777
flat angles C4'-P-C4' energy: -44.626
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: 13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1041.477468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.477468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.477468 (E_RNA)
where:
Base-Base interactions energy: -587.982
where: short stacking energy: -389.994
Base-Backbone interact. energy: -1.242
local terms energy: -452.253904
where:
bonds (distance) C4'-P energy: -83.883
bonds (distance) P-C4' energy: -91.096
flat angles C4'-P-C4' energy: -104.031
flat angles P-C4'-P energy: -70.501
tors. eta vs tors. theta energy: -102.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -992.523292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.523292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.523292 (E_RNA)
where:
Base-Base interactions energy: -587.848
where: short stacking energy: -316.182
Base-Backbone interact. energy: -3.173
local terms energy: -401.501953
where:
bonds (distance) C4'-P energy: -88.078
bonds (distance) P-C4' energy: -94.523
flat angles C4'-P-C4' energy: -87.285
flat angles P-C4'-P energy: -57.967
tors. eta vs tors. theta energy: -73.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -988.436895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.436895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.436895 (E_RNA)
where:
Base-Base interactions energy: -575.435
where: short stacking energy: -341.433
Base-Backbone interact. energy: -1.978
local terms energy: -411.023119
where:
bonds (distance) C4'-P energy: -72.980
bonds (distance) P-C4' energy: -96.187
flat angles C4'-P-C4' energy: -91.181
flat angles P-C4'-P energy: -65.403
tors. eta vs tors. theta energy: -85.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -898.737819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.737819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.737819 (E_RNA)
where:
Base-Base interactions energy: -567.850
where: short stacking energy: -303.278
Base-Backbone interact. energy: -0.231
local terms energy: -330.657266
where:
bonds (distance) C4'-P energy: -83.278
bonds (distance) P-C4' energy: -71.103
flat angles C4'-P-C4' energy: -82.648
flat angles P-C4'-P energy: -47.760
tors. eta vs tors. theta energy: -45.869
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: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -867.611287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.611287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.611287 (E_RNA)
where:
Base-Base interactions energy: -505.252
where: short stacking energy: -276.919
Base-Backbone interact. energy: -3.664
local terms energy: -358.695710
where:
bonds (distance) C4'-P energy: -77.814
bonds (distance) P-C4' energy: -100.338
flat angles C4'-P-C4' energy: -72.660
flat angles P-C4'-P energy: -50.818
tors. eta vs tors. theta energy: -57.066
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: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -713.937612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.937612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.937612 (E_RNA)
where:
Base-Base interactions energy: -392.485
where: short stacking energy: -215.978
Base-Backbone interact. energy: -3.289
local terms energy: -318.163646
where:
bonds (distance) C4'-P energy: -61.973
bonds (distance) P-C4' energy: -77.739
flat angles C4'-P-C4' energy: -88.409
flat angles P-C4'-P energy: -60.787
tors. eta vs tors. theta energy: -29.255
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: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -692.056794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.056794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.056794 (E_RNA)
where:
Base-Base interactions energy: -386.770
where: short stacking energy: -220.100
Base-Backbone interact. energy: -0.082
local terms energy: -305.204470
where:
bonds (distance) C4'-P energy: -75.919
bonds (distance) P-C4' energy: -75.115
flat angles C4'-P-C4' energy: -70.908
flat angles P-C4'-P energy: -33.236
tors. eta vs tors. theta energy: -50.027
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: 5
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -624.494183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.494183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.494183 (E_RNA)
where:
Base-Base interactions energy: -324.279
where: short stacking energy: -182.503
Base-Backbone interact. energy: -0.312
local terms energy: -299.902885
where:
bonds (distance) C4'-P energy: -72.279
bonds (distance) P-C4' energy: -89.956
flat angles C4'-P-C4' energy: -64.972
flat angles P-C4'-P energy: -50.020
tors. eta vs tors. theta energy: -22.675
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: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -512.955324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.955324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.955324 (E_RNA)
where:
Base-Base interactions energy: -257.422
where: short stacking energy: -142.782
Base-Backbone interact. energy: -2.914
local terms energy: -252.619839
where:
bonds (distance) C4'-P energy: -68.029
bonds (distance) P-C4' energy: -83.402
flat angles C4'-P-C4' energy: -50.322
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -14.962
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: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -448.633187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.633187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.633187 (E_RNA)
where:
Base-Base interactions energy: -185.443
where: short stacking energy: -127.402
Base-Backbone interact. energy: -3.760
local terms energy: -259.430967
where:
bonds (distance) C4'-P energy: -57.648
bonds (distance) P-C4' energy: -86.457
flat angles C4'-P-C4' energy: -82.769
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1066.980611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.980611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.980611 (E_RNA)
where:
Base-Base interactions energy: -619.433
where: short stacking energy: -389.615
Base-Backbone interact. energy: -0.048
local terms energy: -447.500010
where:
bonds (distance) C4'-P energy: -99.860
bonds (distance) P-C4' energy: -100.153
flat angles C4'-P-C4' energy: -94.788
flat angles P-C4'-P energy: -49.466
tors. eta vs tors. theta energy: -103.233
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: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1047.662779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.662779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.662779 (E_RNA)
where:
Base-Base interactions energy: -629.673
where: short stacking energy: -322.296
Base-Backbone interact. energy: -3.471
local terms energy: -414.518979
where:
bonds (distance) C4'-P energy: -79.978
bonds (distance) P-C4' energy: -98.362
flat angles C4'-P-C4' energy: -99.106
flat angles P-C4'-P energy: -64.408
tors. eta vs tors. theta energy: -72.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -986.033771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.033771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.033771 (E_RNA)
where:
Base-Base interactions energy: -589.117
where: short stacking energy: -321.669
Base-Backbone interact. energy: -1.515
local terms energy: -395.401995
where:
bonds (distance) C4'-P energy: -73.020
bonds (distance) P-C4' energy: -95.306
flat angles C4'-P-C4' energy: -90.916
flat angles P-C4'-P energy: -59.285
tors. eta vs tors. theta energy: -76.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -909.532684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.532684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.532684 (E_RNA)
where:
Base-Base interactions energy: -517.726
where: short stacking energy: -300.133
Base-Backbone interact. energy: 1.049
local terms energy: -392.855045
where:
bonds (distance) C4'-P energy: -78.116
bonds (distance) P-C4' energy: -95.596
flat angles C4'-P-C4' energy: -91.169
flat angles P-C4'-P energy: -65.225
tors. eta vs tors. theta energy: -62.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -835.374932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.374932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.374932 (E_RNA)
where:
Base-Base interactions energy: -492.295
where: short stacking energy: -258.064
Base-Backbone interact. energy: -2.527
local terms energy: -340.553117
where:
bonds (distance) C4'-P energy: -86.185
bonds (distance) P-C4' energy: -82.208
flat angles C4'-P-C4' energy: -70.438
flat angles P-C4'-P energy: -53.369
tors. eta vs tors. theta energy: -48.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -782.807533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.807533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.807533 (E_RNA)
where:
Base-Base interactions energy: -455.874
where: short stacking energy: -236.875
Base-Backbone interact. energy: -0.501
local terms energy: -326.431759
where:
bonds (distance) C4'-P energy: -80.711
bonds (distance) P-C4' energy: -96.119
flat angles C4'-P-C4' energy: -64.835
flat angles P-C4'-P energy: -46.126
tors. eta vs tors. theta energy: -38.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -707.026224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.026224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.026224 (E_RNA)
where:
Base-Base interactions energy: -397.755
where: short stacking energy: -231.847
Base-Backbone interact. energy: 3.928
local terms energy: -313.198592
where:
bonds (distance) C4'-P energy: -64.186
bonds (distance) P-C4' energy: -82.101
flat angles C4'-P-C4' energy: -72.384
flat angles P-C4'-P energy: -56.630
tors. eta vs tors. theta energy: -37.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -591.361366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.361366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.361366 (E_RNA)
where:
Base-Base interactions energy: -304.207
where: short stacking energy: -177.567
Base-Backbone interact. energy: -1.949
local terms energy: -285.205497
where:
bonds (distance) C4'-P energy: -76.729
bonds (distance) P-C4' energy: -83.694
flat angles C4'-P-C4' energy: -72.216
flat angles P-C4'-P energy: -42.351
tors. eta vs tors. theta energy: -10.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -521.138400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.138400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.138400 (E_RNA)
where:
Base-Base interactions energy: -276.168
where: short stacking energy: -159.586
Base-Backbone interact. energy: -1.150
local terms energy: -243.820303
where:
bonds (distance) C4'-P energy: -79.983
bonds (distance) P-C4' energy: -74.487
flat angles C4'-P-C4' energy: -56.974
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -17.215
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: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -492.495234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.495234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.495234 (E_RNA)
where:
Base-Base interactions energy: -237.360
where: short stacking energy: -150.565
Base-Backbone interact. energy: 2.188
local terms energy: -257.323381
where:
bonds (distance) C4'-P energy: -68.223
bonds (distance) P-C4' energy: -80.598
flat angles C4'-P-C4' energy: -60.876
flat angles P-C4'-P energy: -39.102
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1042.835814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.835814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.835814 (E_RNA)
where:
Base-Base interactions energy: -588.373
where: short stacking energy: -385.183
Base-Backbone interact. energy: -0.423
local terms energy: -454.040290
where:
bonds (distance) C4'-P energy: -93.074
bonds (distance) P-C4' energy: -89.130
flat angles C4'-P-C4' energy: -102.296
flat angles P-C4'-P energy: -64.524
tors. eta vs tors. theta energy: -105.017
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: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1074.175537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.175537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.175537 (E_RNA)
where:
Base-Base interactions energy: -675.289
where: short stacking energy: -347.492
Base-Backbone interact. energy: -3.647
local terms energy: -395.239957
where:
bonds (distance) C4'-P energy: -85.898
bonds (distance) P-C4' energy: -85.533
flat angles C4'-P-C4' energy: -88.749
flat angles P-C4'-P energy: -63.663
tors. eta vs tors. theta energy: -71.396
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -969.997208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.997208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.997208 (E_RNA)
where:
Base-Base interactions energy: -563.294
where: short stacking energy: -315.330
Base-Backbone interact. energy: -2.655
local terms energy: -404.047913
where:
bonds (distance) C4'-P energy: -88.260
bonds (distance) P-C4' energy: -98.471
flat angles C4'-P-C4' energy: -78.576
flat angles P-C4'-P energy: -68.337
tors. eta vs tors. theta energy: -70.403
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: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -885.195272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.195272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.195272 (E_RNA)
where:
Base-Base interactions energy: -506.195
where: short stacking energy: -316.308
Base-Backbone interact. energy: 0.350
local terms energy: -379.350211
where:
bonds (distance) C4'-P energy: -85.085
bonds (distance) P-C4' energy: -89.114
flat angles C4'-P-C4' energy: -96.831
flat angles P-C4'-P energy: -45.320
tors. eta vs tors. theta energy: -63.000
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: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -829.695912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.695912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.695912 (E_RNA)
where:
Base-Base interactions energy: -462.238
where: short stacking energy: -269.647
Base-Backbone interact. energy: -1.752
local terms energy: -365.706561
where:
bonds (distance) C4'-P energy: -88.522
bonds (distance) P-C4' energy: -80.197
flat angles C4'-P-C4' energy: -92.478
flat angles P-C4'-P energy: -57.798
tors. eta vs tors. theta energy: -46.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -808.004876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.004876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.004876 (E_RNA)
where:
Base-Base interactions energy: -470.413
where: short stacking energy: -239.422
Base-Backbone interact. energy: -2.616
local terms energy: -334.976401
where:
bonds (distance) C4'-P energy: -87.619
bonds (distance) P-C4' energy: -85.376
flat angles C4'-P-C4' energy: -68.382
flat angles P-C4'-P energy: -53.590
tors. eta vs tors. theta energy: -40.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -775.370948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.370948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.370948 (E_RNA)
where:
Base-Base interactions energy: -450.763
where: short stacking energy: -220.428
Base-Backbone interact. energy: -1.634
local terms energy: -322.974040
where:
bonds (distance) C4'-P energy: -83.216
bonds (distance) P-C4' energy: -73.517
flat angles C4'-P-C4' energy: -83.350
flat angles P-C4'-P energy: -46.202
tors. eta vs tors. theta energy: -36.690
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: 11
Temperature: 1.250000
Total energy: -609.080824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.080824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.080824 (E_RNA)
where:
Base-Base interactions energy: -331.779
where: short stacking energy: -201.858
Base-Backbone interact. energy: 0.812
local terms energy: -278.112988
where:
bonds (distance) C4'-P energy: -70.443
bonds (distance) P-C4' energy: -69.703
flat angles C4'-P-C4' energy: -56.031
flat angles P-C4'-P energy: -55.388
tors. eta vs tors. theta energy: -26.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -507.883203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.883203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.883203 (E_RNA)
where:
Base-Base interactions energy: -251.448
where: short stacking energy: -167.905
Base-Backbone interact. energy: 2.097
local terms energy: -258.531691
where:
bonds (distance) C4'-P energy: -61.092
bonds (distance) P-C4' energy: -70.367
flat angles C4'-P-C4' energy: -74.587
flat angles P-C4'-P energy: -43.734
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -492.042927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.042927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.042927 (E_RNA)
where:
Base-Base interactions energy: -245.797
where: short stacking energy: -137.868
Base-Backbone interact. energy: -1.435
local terms energy: -244.811543
where:
bonds (distance) C4'-P energy: -75.309
bonds (distance) P-C4' energy: -71.908
flat angles C4'-P-C4' energy: -64.240
flat angles P-C4'-P energy: -35.194
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: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1065.465446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.465446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.465446 (E_RNA)
where:
Base-Base interactions energy: -634.499
where: short stacking energy: -353.720
Base-Backbone interact. energy: 0.010
local terms energy: -430.976531
where:
bonds (distance) C4'-P energy: -90.768
bonds (distance) P-C4' energy: -85.232
flat angles C4'-P-C4' energy: -100.505
flat angles P-C4'-P energy: -62.316
tors. eta vs tors. theta energy: -92.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1099.540550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.540550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.540550 (E_RNA)
where:
Base-Base interactions energy: -677.677
where: short stacking energy: -342.203
Base-Backbone interact. energy: -3.278
local terms energy: -418.585833
where:
bonds (distance) C4'-P energy: -82.255
bonds (distance) P-C4' energy: -98.628
flat angles C4'-P-C4' energy: -96.373
flat angles P-C4'-P energy: -72.679
tors. eta vs tors. theta energy: -68.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -995.708778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.708778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.708778 (E_RNA)
where:
Base-Base interactions energy: -596.810
where: short stacking energy: -345.701
Base-Backbone interact. energy: 0.191
local terms energy: -399.090122
where:
bonds (distance) C4'-P energy: -84.105
bonds (distance) P-C4' energy: -95.380
flat angles C4'-P-C4' energy: -92.526
flat angles P-C4'-P energy: -54.062
tors. eta vs tors. theta energy: -73.017
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: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -931.807695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.807695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.807695 (E_RNA)
where:
Base-Base interactions energy: -539.330
where: short stacking energy: -302.900
Base-Backbone interact. energy: -1.407
local terms energy: -391.071227
where:
bonds (distance) C4'-P energy: -90.192
bonds (distance) P-C4' energy: -84.827
flat angles C4'-P-C4' energy: -87.132
flat angles P-C4'-P energy: -55.575
tors. eta vs tors. theta energy: -73.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -850.178269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.178269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.178269 (E_RNA)
where:
Base-Base interactions energy: -483.953
where: short stacking energy: -298.992
Base-Backbone interact. energy: -2.923
local terms energy: -363.302037
where:
bonds (distance) C4'-P energy: -74.312
bonds (distance) P-C4' energy: -74.838
flat angles C4'-P-C4' energy: -90.102
flat angles P-C4'-P energy: -57.534
tors. eta vs tors. theta energy: -66.516
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: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -812.867794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.867794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.867794 (E_RNA)
where:
Base-Base interactions energy: -461.505
where: short stacking energy: -237.192
Base-Backbone interact. energy: 0.717
local terms energy: -352.079368
where:
bonds (distance) C4'-P energy: -81.197
bonds (distance) P-C4' energy: -90.741
flat angles C4'-P-C4' energy: -92.358
flat angles P-C4'-P energy: -49.011
tors. eta vs tors. theta energy: -38.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -815.846806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.846806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.846806 (E_RNA)
where:
Base-Base interactions energy: -514.289
where: short stacking energy: -255.143
Base-Backbone interact. energy: -2.419
local terms energy: -299.137987
where:
bonds (distance) C4'-P energy: -73.501
bonds (distance) P-C4' energy: -74.015
flat angles C4'-P-C4' energy: -75.164
flat angles P-C4'-P energy: -33.212
tors. eta vs tors. theta energy: -43.246
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: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -603.714131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.714131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.714131 (E_RNA)
where:
Base-Base interactions energy: -315.828
where: short stacking energy: -187.979
Base-Backbone interact. energy: -1.452
local terms energy: -286.433916
where:
bonds (distance) C4'-P energy: -68.998
bonds (distance) P-C4' energy: -66.779
flat angles C4'-P-C4' energy: -66.461
flat angles P-C4'-P energy: -56.006
tors. eta vs tors. theta energy: -28.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -540.205957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.205957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.205957 (E_RNA)
where:
Base-Base interactions energy: -258.389
where: short stacking energy: -140.981
Base-Backbone interact. energy: 2.440
local terms energy: -284.257305
where:
bonds (distance) C4'-P energy: -73.661
bonds (distance) P-C4' energy: -77.448
flat angles C4'-P-C4' energy: -73.315
flat angles P-C4'-P energy: -42.779
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -549.884249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.884249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.884249 (E_RNA)
where:
Base-Base interactions energy: -299.667
where: short stacking energy: -156.078
Base-Backbone interact. energy: 9.428
local terms energy: -259.645379
where:
bonds (distance) C4'-P energy: -69.376
bonds (distance) P-C4' energy: -81.031
flat angles C4'-P-C4' energy: -54.353
flat angles P-C4'-P energy: -45.211
tors. eta vs tors. theta energy: -9.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1082.144238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.144238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.144238 (E_RNA)
where:
Base-Base interactions energy: -629.149
where: short stacking energy: -392.357
Base-Backbone interact. energy: -0.388
local terms energy: -452.607267
where:
bonds (distance) C4'-P energy: -90.410
bonds (distance) P-C4' energy: -88.889
flat angles C4'-P-C4' energy: -101.853
flat angles P-C4'-P energy: -64.798
tors. eta vs tors. theta energy: -106.657
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: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1087.822612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.822612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.822612 (E_RNA)
where:
Base-Base interactions energy: -681.037
where: short stacking energy: -340.127
Base-Backbone interact. energy: -4.410
local terms energy: -402.374729
where:
bonds (distance) C4'-P energy: -75.758
bonds (distance) P-C4' energy: -94.653
flat angles C4'-P-C4' energy: -100.147
flat angles P-C4'-P energy: -60.182
tors. eta vs tors. theta energy: -71.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -975.894594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.894594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.894594 (E_RNA)
where:
Base-Base interactions energy: -587.173
where: short stacking energy: -307.759
Base-Backbone interact. energy: -0.882
local terms energy: -387.838856
where:
bonds (distance) C4'-P energy: -81.845
bonds (distance) P-C4' energy: -93.473
flat angles C4'-P-C4' energy: -83.838
flat angles P-C4'-P energy: -46.041
tors. eta vs tors. theta energy: -82.642
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: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -903.642623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.642623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.642623 (E_RNA)
where:
Base-Base interactions energy: -546.809
where: short stacking energy: -280.623
Base-Backbone interact. energy: -0.960
local terms energy: -355.873688
where:
bonds (distance) C4'-P energy: -79.327
bonds (distance) P-C4' energy: -80.767
flat angles C4'-P-C4' energy: -80.539
flat angles P-C4'-P energy: -50.886
tors. eta vs tors. theta energy: -64.355
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: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -812.848717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.848717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.848717 (E_RNA)
where:
Base-Base interactions energy: -449.951
where: short stacking energy: -277.491
Base-Backbone interact. energy: 0.612
local terms energy: -363.509157
where:
bonds (distance) C4'-P energy: -70.339
bonds (distance) P-C4' energy: -95.397
flat angles C4'-P-C4' energy: -79.078
flat angles P-C4'-P energy: -61.290
tors. eta vs tors. theta energy: -57.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -850.177453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.177453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.177453 (E_RNA)
where:
Base-Base interactions energy: -534.868
where: short stacking energy: -257.905
Base-Backbone interact. energy: 0.430
local terms energy: -315.738886
where:
bonds (distance) C4'-P energy: -71.310
bonds (distance) P-C4' energy: -82.162
flat angles C4'-P-C4' energy: -65.849
flat angles P-C4'-P energy: -48.087
tors. eta vs tors. theta energy: -48.332
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: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -778.595895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.595895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.595895 (E_RNA)
where:
Base-Base interactions energy: -478.966
where: short stacking energy: -235.538
Base-Backbone interact. energy: -2.966
local terms energy: -296.664489
where:
bonds (distance) C4'-P energy: -54.248
bonds (distance) P-C4' energy: -70.899
flat angles C4'-P-C4' energy: -85.993
flat angles P-C4'-P energy: -41.754
tors. eta vs tors. theta energy: -43.770
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: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -609.422181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.422181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.422181 (E_RNA)
where:
Base-Base interactions energy: -317.138
where: short stacking energy: -185.060
Base-Backbone interact. energy: 6.333
local terms energy: -298.617209
where:
bonds (distance) C4'-P energy: -72.880
bonds (distance) P-C4' energy: -94.858
flat angles C4'-P-C4' energy: -71.147
flat angles P-C4'-P energy: -35.995
tors. eta vs tors. theta energy: -23.738
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: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -543.435325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.435325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.435325 (E_RNA)
where:
Base-Base interactions energy: -283.675
where: short stacking energy: -156.407
Base-Backbone interact. energy: -0.376
local terms energy: -259.383786
where:
bonds (distance) C4'-P energy: -86.260
bonds (distance) P-C4' energy: -79.443
flat angles C4'-P-C4' energy: -47.279
flat angles P-C4'-P energy: -41.657
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -592.505086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.505086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.505086 (E_RNA)
where:
Base-Base interactions energy: -297.585
where: short stacking energy: -167.070
Base-Backbone interact. energy: -0.397
local terms energy: -294.523524
where:
bonds (distance) C4'-P energy: -76.827
bonds (distance) P-C4' energy: -82.137
flat angles C4'-P-C4' energy: -65.929
flat angles P-C4'-P energy: -48.208
tors. eta vs tors. theta energy: -21.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1096.694654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.694654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.694654 (E_RNA)
where:
Base-Base interactions energy: -632.912
where: short stacking energy: -396.733
Base-Backbone interact. energy: -1.719
local terms energy: -462.063539
where:
bonds (distance) C4'-P energy: -102.641
bonds (distance) P-C4' energy: -97.867
flat angles C4'-P-C4' energy: -97.404
flat angles P-C4'-P energy: -60.608
tors. eta vs tors. theta energy: -103.544
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: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1079.775360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.775360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.775360 (E_RNA)
where:
Base-Base interactions energy: -655.852
where: short stacking energy: -353.212
Base-Backbone interact. energy: -5.593
local terms energy: -418.331086
where:
bonds (distance) C4'-P energy: -86.845
bonds (distance) P-C4' energy: -94.461
flat angles C4'-P-C4' energy: -93.993
flat angles P-C4'-P energy: -57.721
tors. eta vs tors. theta energy: -85.311
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: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1004.560963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.560963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.560963 (E_RNA)
where:
Base-Base interactions energy: -579.687
where: short stacking energy: -302.111
Base-Backbone interact. energy: -1.159
local terms energy: -423.714760
where:
bonds (distance) C4'-P energy: -91.755
bonds (distance) P-C4' energy: -90.940
flat angles C4'-P-C4' energy: -101.369
flat angles P-C4'-P energy: -64.090
tors. eta vs tors. theta energy: -75.561
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: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1002.039192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.039192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.039192 (E_RNA)
where:
Base-Base interactions energy: -584.171
where: short stacking energy: -314.609
Base-Backbone interact. energy: -2.143
local terms energy: -415.725633
where:
bonds (distance) C4'-P energy: -94.537
bonds (distance) P-C4' energy: -89.586
flat angles C4'-P-C4' energy: -87.281
flat angles P-C4'-P energy: -70.049
tors. eta vs tors. theta energy: -74.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -955.151158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.151158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.151158 (E_RNA)
where:
Base-Base interactions energy: -570.043
where: short stacking energy: -287.493
Base-Backbone interact. energy: -2.296
local terms energy: -382.812114
where:
bonds (distance) C4'-P energy: -82.273
bonds (distance) P-C4' energy: -96.704
flat angles C4'-P-C4' energy: -89.066
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: -60.168
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: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -835.235337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.235337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.235337 (E_RNA)
where:
Base-Base interactions energy: -485.148
where: short stacking energy: -265.394
Base-Backbone interact. energy: -1.894
local terms energy: -348.193189
where:
bonds (distance) C4'-P energy: -80.548
bonds (distance) P-C4' energy: -60.917
flat angles C4'-P-C4' energy: -86.927
flat angles P-C4'-P energy: -57.874
tors. eta vs tors. theta energy: -61.927
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: 14
Temperature: 1.200000
Total energy: -783.146383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.146383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.146383 (E_RNA)
where:
Base-Base interactions energy: -448.152
where: short stacking energy: -253.213
Base-Backbone interact. energy: -2.827
local terms energy: -332.167175
where:
bonds (distance) C4'-P energy: -85.214
bonds (distance) P-C4' energy: -75.184
flat angles C4'-P-C4' energy: -76.032
flat angles P-C4'-P energy: -51.598
tors. eta vs tors. theta energy: -44.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -660.078373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.078373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.078373 (E_RNA)
where:
Base-Base interactions energy: -378.403
where: short stacking energy: -208.112
Base-Backbone interact. energy: -1.431
local terms energy: -280.244600
where:
bonds (distance) C4'-P energy: -78.135
bonds (distance) P-C4' energy: -76.014
flat angles C4'-P-C4' energy: -72.840
flat angles P-C4'-P energy: -31.252
tors. eta vs tors. theta energy: -22.003
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: 14
Temperature: 1.300000
Total energy: -629.615265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.615265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.615265 (E_RNA)
where:
Base-Base interactions energy: -354.872
where: short stacking energy: -195.550
Base-Backbone interact. energy: 1.237
local terms energy: -275.980133
where:
bonds (distance) C4'-P energy: -73.620
bonds (distance) P-C4' energy: -76.509
flat angles C4'-P-C4' energy: -66.018
flat angles P-C4'-P energy: -36.639
tors. eta vs tors. theta energy: -23.194
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -506.123368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.123368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.123368 (E_RNA)
where:
Base-Base interactions energy: -268.460
where: short stacking energy: -163.703
Base-Backbone interact. energy: 2.727
local terms energy: -240.390228
where:
bonds (distance) C4'-P energy: -70.921
bonds (distance) P-C4' energy: -76.473
flat angles C4'-P-C4' energy: -58.861
flat angles P-C4'-P energy: -35.169
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1147.216208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.216208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.216208 (E_RNA)
where:
Base-Base interactions energy: -686.954
where: short stacking energy: -420.383
Base-Backbone interact. energy: -3.744
local terms energy: -456.518718
where:
bonds (distance) C4'-P energy: -89.332
bonds (distance) P-C4' energy: -90.234
flat angles C4'-P-C4' energy: -107.221
flat angles P-C4'-P energy: -67.091
tors. eta vs tors. theta energy: -102.641
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: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1054.573779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.573779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.573779 (E_RNA)
where:
Base-Base interactions energy: -650.366
where: short stacking energy: -337.285
Base-Backbone interact. energy: -0.502
local terms energy: -403.706515
where:
bonds (distance) C4'-P energy: -87.983
bonds (distance) P-C4' energy: -93.360
flat angles C4'-P-C4' energy: -88.540
flat angles P-C4'-P energy: -64.746
tors. eta vs tors. theta energy: -69.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1027.517488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.517488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.517488 (E_RNA)
where:
Base-Base interactions energy: -629.932
where: short stacking energy: -339.961
Base-Backbone interact. energy: -2.004
local terms energy: -395.581917
where:
bonds (distance) C4'-P energy: -87.795
bonds (distance) P-C4' energy: -90.812
flat angles C4'-P-C4' energy: -84.826
flat angles P-C4'-P energy: -54.912
tors. eta vs tors. theta energy: -77.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1033.078637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.078637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.078637 (E_RNA)
where:
Base-Base interactions energy: -623.243
where: short stacking energy: -329.122
Base-Backbone interact. energy: -1.965
local terms energy: -407.871386
where:
bonds (distance) C4'-P energy: -91.509
bonds (distance) P-C4' energy: -94.410
flat angles C4'-P-C4' energy: -83.586
flat angles P-C4'-P energy: -58.195
tors. eta vs tors. theta energy: -80.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1011.708633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.708633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.708633 (E_RNA)
where:
Base-Base interactions energy: -613.019
where: short stacking energy: -308.572
Base-Backbone interact. energy: 0.603
local terms energy: -399.292608
where:
bonds (distance) C4'-P energy: -79.359
bonds (distance) P-C4' energy: -90.840
flat angles C4'-P-C4' energy: -99.460
flat angles P-C4'-P energy: -62.601
tors. eta vs tors. theta energy: -67.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -845.650641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.650641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.650641 (E_RNA)
where:
Base-Base interactions energy: -484.488
where: short stacking energy: -265.250
Base-Backbone interact. energy: -1.463
local terms energy: -359.699339
where:
bonds (distance) C4'-P energy: -79.479
bonds (distance) P-C4' energy: -95.424
flat angles C4'-P-C4' energy: -78.646
flat angles P-C4'-P energy: -52.244
tors. eta vs tors. theta energy: -53.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -783.331083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.331083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.331083 (E_RNA)
where:
Base-Base interactions energy: -464.312
where: short stacking energy: -257.082
Base-Backbone interact. energy: 6.718
local terms energy: -325.736708
where:
bonds (distance) C4'-P energy: -62.986
bonds (distance) P-C4' energy: -74.191
flat angles C4'-P-C4' energy: -81.651
flat angles P-C4'-P energy: -58.453
tors. eta vs tors. theta energy: -48.456
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: 15
Temperature: 1.250000
Total energy: -665.600181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.600181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.600181 (E_RNA)
where:
Base-Base interactions energy: -387.347
where: short stacking energy: -202.848
Base-Backbone interact. energy: 3.416
local terms energy: -281.669266
where:
bonds (distance) C4'-P energy: -76.105
bonds (distance) P-C4' energy: -84.065
flat angles C4'-P-C4' energy: -63.941
flat angles P-C4'-P energy: -27.000
tors. eta vs tors. theta energy: -30.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -690.079548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.079548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.079548 (E_RNA)
where:
Base-Base interactions energy: -393.240
where: short stacking energy: -186.903
Base-Backbone interact. energy: 1.180
local terms energy: -298.019364
where:
bonds (distance) C4'-P energy: -89.373
bonds (distance) P-C4' energy: -77.668
flat angles C4'-P-C4' energy: -80.490
flat angles P-C4'-P energy: -31.253
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -471.831079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.831079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.831079 (E_RNA)
where:
Base-Base interactions energy: -202.295
where: short stacking energy: -129.205
Base-Backbone interact. energy: -0.769
local terms energy: -268.767520
where:
bonds (distance) C4'-P energy: -69.867
bonds (distance) P-C4' energy: -83.615
flat angles C4'-P-C4' energy: -56.199
flat angles P-C4'-P energy: -53.241
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1169.224268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.224268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.224268 (E_RNA)
where:
Base-Base interactions energy: -745.344
where: short stacking energy: -363.244
Base-Backbone interact. energy: -3.674
local terms energy: -420.206535
where:
bonds (distance) C4'-P energy: -91.739
bonds (distance) P-C4' energy: -85.478
flat angles C4'-P-C4' energy: -94.725
flat angles P-C4'-P energy: -66.493
tors. eta vs tors. theta energy: -81.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1112.105927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.105927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.105927 (E_RNA)
where:
Base-Base interactions energy: -690.887
where: short stacking energy: -351.386
Base-Backbone interact. energy: -2.998
local terms energy: -418.220463
where:
bonds (distance) C4'-P energy: -79.939
bonds (distance) P-C4' energy: -100.147
flat angles C4'-P-C4' energy: -100.109
flat angles P-C4'-P energy: -59.327
tors. eta vs tors. theta energy: -78.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1094.829565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.829565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.829565 (E_RNA)
where:
Base-Base interactions energy: -697.094
where: short stacking energy: -364.299
Base-Backbone interact. energy: -0.754
local terms energy: -396.982437
where:
bonds (distance) C4'-P energy: -66.098
bonds (distance) P-C4' energy: -78.895
flat angles C4'-P-C4' energy: -101.589
flat angles P-C4'-P energy: -57.656
tors. eta vs tors. theta energy: -92.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1013.873951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.873951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.873951 (E_RNA)
where:
Base-Base interactions energy: -640.730
where: short stacking energy: -307.161
Base-Backbone interact. energy: 0.492
local terms energy: -373.636727
where:
bonds (distance) C4'-P energy: -83.010
bonds (distance) P-C4' energy: -72.842
flat angles C4'-P-C4' energy: -97.447
flat angles P-C4'-P energy: -63.969
tors. eta vs tors. theta energy: -56.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -997.589697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.589697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.589697 (E_RNA)
where:
Base-Base interactions energy: -634.073
where: short stacking energy: -302.149
Base-Backbone interact. energy: -2.021
local terms energy: -361.496098
where:
bonds (distance) C4'-P energy: -67.775
bonds (distance) P-C4' energy: -87.700
flat angles C4'-P-C4' energy: -90.692
flat angles P-C4'-P energy: -50.722
tors. eta vs tors. theta energy: -64.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -840.242080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.242080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.242080 (E_RNA)
where:
Base-Base interactions energy: -472.415
where: short stacking energy: -227.748
Base-Backbone interact. energy: 0.734
local terms energy: -368.561701
where:
bonds (distance) C4'-P energy: -91.703
bonds (distance) P-C4' energy: -93.034
flat angles C4'-P-C4' energy: -83.738
flat angles P-C4'-P energy: -52.293
tors. eta vs tors. theta energy: -47.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -787.448451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.448451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.448451 (E_RNA)
where:
Base-Base interactions energy: -426.297
where: short stacking energy: -245.419
Base-Backbone interact. energy: -3.166
local terms energy: -357.986075
where:
bonds (distance) C4'-P energy: -91.554
bonds (distance) P-C4' energy: -91.861
flat angles C4'-P-C4' energy: -72.686
flat angles P-C4'-P energy: -52.468
tors. eta vs tors. theta energy: -49.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -617.435541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.435541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.435541 (E_RNA)
where:
Base-Base interactions energy: -356.730
where: short stacking energy: -186.745
Base-Backbone interact. energy: 0.530
local terms energy: -261.235743
where:
bonds (distance) C4'-P energy: -78.865
bonds (distance) P-C4' energy: -71.961
flat angles C4'-P-C4' energy: -74.915
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -693.808545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.808545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.808545 (E_RNA)
where:
Base-Base interactions energy: -409.136
where: short stacking energy: -203.910
Base-Backbone interact. energy: 0.639
local terms energy: -285.311992
where:
bonds (distance) C4'-P energy: -66.083
bonds (distance) P-C4' energy: -75.092
flat angles C4'-P-C4' energy: -78.960
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: -27.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -483.788045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.788045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.788045 (E_RNA)
where:
Base-Base interactions energy: -229.137
where: short stacking energy: -132.577
Base-Backbone interact. energy: 4.872
local terms energy: -259.522908
where:
bonds (distance) C4'-P energy: -83.405
bonds (distance) P-C4' energy: -78.820
flat angles C4'-P-C4' energy: -57.699
flat angles P-C4'-P energy: -51.389
tors. eta vs tors. theta energy: 11.790
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: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1199.677900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.677900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.677900 (E_RNA)
where:
Base-Base interactions energy: -763.466
where: short stacking energy: -372.725
Base-Backbone interact. energy: -0.423
local terms energy: -435.789321
where:
bonds (distance) C4'-P energy: -91.424
bonds (distance) P-C4' energy: -97.812
flat angles C4'-P-C4' energy: -95.663
flat angles P-C4'-P energy: -66.561
tors. eta vs tors. theta energy: -84.329
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: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1198.850360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.850360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.850360 (E_RNA)
where:
Base-Base interactions energy: -761.746
where: short stacking energy: -391.651
Base-Backbone interact. energy: -0.841
local terms energy: -436.262963
where:
bonds (distance) C4'-P energy: -80.688
bonds (distance) P-C4' energy: -87.469
flat angles C4'-P-C4' energy: -102.423
flat angles P-C4'-P energy: -69.739
tors. eta vs tors. theta energy: -95.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1056.555453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.555453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.555453 (E_RNA)
where:
Base-Base interactions energy: -690.300
where: short stacking energy: -324.462
Base-Backbone interact. energy: 0.994
local terms energy: -367.249386
where:
bonds (distance) C4'-P energy: -79.739
bonds (distance) P-C4' energy: -92.743
flat angles C4'-P-C4' energy: -80.427
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -65.296
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: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1022.261569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.261569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.261569 (E_RNA)
where:
Base-Base interactions energy: -637.685
where: short stacking energy: -334.623
Base-Backbone interact. energy: -1.448
local terms energy: -383.128638
where:
bonds (distance) C4'-P energy: -85.617
bonds (distance) P-C4' energy: -92.666
flat angles C4'-P-C4' energy: -80.061
flat angles P-C4'-P energy: -55.886
tors. eta vs tors. theta energy: -68.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1025.642083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.642083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.642083 (E_RNA)
where:
Base-Base interactions energy: -653.020
where: short stacking energy: -313.016
Base-Backbone interact. energy: -1.508
local terms energy: -371.114090
where:
bonds (distance) C4'-P energy: -83.469
bonds (distance) P-C4' energy: -83.518
flat angles C4'-P-C4' energy: -78.272
flat angles P-C4'-P energy: -59.555
tors. eta vs tors. theta energy: -66.300
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: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -860.601636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.601636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.601636 (E_RNA)
where:
Base-Base interactions energy: -532.998
where: short stacking energy: -282.854
Base-Backbone interact. energy: 5.101
local terms energy: -332.704700
where:
bonds (distance) C4'-P energy: -83.833
bonds (distance) P-C4' energy: -79.019
flat angles C4'-P-C4' energy: -71.883
flat angles P-C4'-P energy: -42.831
tors. eta vs tors. theta energy: -55.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -790.448192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.448192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.448192 (E_RNA)
where:
Base-Base interactions energy: -469.799
where: short stacking energy: -254.092
Base-Backbone interact. energy: 1.288
local terms energy: -321.936696
where:
bonds (distance) C4'-P energy: -78.487
bonds (distance) P-C4' energy: -77.821
flat angles C4'-P-C4' energy: -71.855
flat angles P-C4'-P energy: -47.938
tors. eta vs tors. theta energy: -45.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -837.924240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.924240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.924240 (E_RNA)
where:
Base-Base interactions energy: -503.924
where: short stacking energy: -253.774
Base-Backbone interact. energy: 0.753
local terms energy: -334.753724
where:
bonds (distance) C4'-P energy: -79.417
bonds (distance) P-C4' energy: -91.966
flat angles C4'-P-C4' energy: -72.489
flat angles P-C4'-P energy: -50.423
tors. eta vs tors. theta energy: -40.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -581.919111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.919111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.919111 (E_RNA)
where:
Base-Base interactions energy: -310.471
where: short stacking energy: -150.809
Base-Backbone interact. energy: -1.080
local terms energy: -270.368595
where:
bonds (distance) C4'-P energy: -80.178
bonds (distance) P-C4' energy: -85.997
flat angles C4'-P-C4' energy: -56.940
flat angles P-C4'-P energy: -44.946
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -453.528956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.528956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.528956 (E_RNA)
where:
Base-Base interactions energy: -207.502
where: short stacking energy: -132.870
Base-Backbone interact. energy: 6.402
local terms energy: -252.428744
where:
bonds (distance) C4'-P energy: -79.120
bonds (distance) P-C4' energy: -90.044
flat angles C4'-P-C4' energy: -54.841
flat angles P-C4'-P energy: -25.678
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1260.692643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.692643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.692643 (E_RNA)
where:
Base-Base interactions energy: -821.473
where: short stacking energy: -394.223
Base-Backbone interact. energy: -2.772
local terms energy: -436.448088
where:
bonds (distance) C4'-P energy: -94.578
bonds (distance) P-C4' energy: -91.760
flat angles C4'-P-C4' energy: -88.618
flat angles P-C4'-P energy: -49.599
tors. eta vs tors. theta energy: -111.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1163.137570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.137570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.137570 (E_RNA)
where:
Base-Base interactions energy: -725.032
where: short stacking energy: -361.065
Base-Backbone interact. energy: 2.036
local terms energy: -440.141481
where:
bonds (distance) C4'-P energy: -96.953
bonds (distance) P-C4' energy: -95.729
flat angles C4'-P-C4' energy: -94.728
flat angles P-C4'-P energy: -56.168
tors. eta vs tors. theta energy: -96.564
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: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1059.152841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.152841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.152841 (E_RNA)
where:
Base-Base interactions energy: -697.409
where: short stacking energy: -341.528
Base-Backbone interact. energy: 0.285
local terms energy: -362.028900
where:
bonds (distance) C4'-P energy: -69.780
bonds (distance) P-C4' energy: -86.684
flat angles C4'-P-C4' energy: -84.397
flat angles P-C4'-P energy: -46.613
tors. eta vs tors. theta energy: -74.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1004.017403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.017403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.017403 (E_RNA)
where:
Base-Base interactions energy: -634.382
where: short stacking energy: -321.802
Base-Backbone interact. energy: -0.263
local terms energy: -369.372403
where:
bonds (distance) C4'-P energy: -73.822
bonds (distance) P-C4' energy: -84.132
flat angles C4'-P-C4' energy: -75.596
flat angles P-C4'-P energy: -68.816
tors. eta vs tors. theta energy: -67.006
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: 5, replica: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1014.214381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.214381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.214381 (E_RNA)
where:
Base-Base interactions energy: -642.868
where: short stacking energy: -317.242
Base-Backbone interact. energy: -0.996
local terms energy: -370.350396
where:
bonds (distance) C4'-P energy: -77.994
bonds (distance) P-C4' energy: -89.875
flat angles C4'-P-C4' energy: -79.866
flat angles P-C4'-P energy: -60.801
tors. eta vs tors. theta energy: -61.814
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: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -912.366146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.366146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.366146 (E_RNA)
where:
Base-Base interactions energy: -560.018
where: short stacking energy: -285.502
Base-Backbone interact. energy: -0.132
local terms energy: -352.216184
where:
bonds (distance) C4'-P energy: -80.877
bonds (distance) P-C4' energy: -80.072
flat angles C4'-P-C4' energy: -87.916
flat angles P-C4'-P energy: -50.408
tors. eta vs tors. theta energy: -52.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -932.145880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.145880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.145880 (E_RNA)
where:
Base-Base interactions energy: -594.105
where: short stacking energy: -284.666
Base-Backbone interact. energy: 1.495
local terms energy: -339.535320
where:
bonds (distance) C4'-P energy: -76.708
bonds (distance) P-C4' energy: -84.792
flat angles C4'-P-C4' energy: -91.131
flat angles P-C4'-P energy: -46.492
tors. eta vs tors. theta energy: -40.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -706.266196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.266196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.266196 (E_RNA)
where:
Base-Base interactions energy: -410.300
where: short stacking energy: -207.399
Base-Backbone interact. energy: 0.695
local terms energy: -296.661064
where:
bonds (distance) C4'-P energy: -70.788
bonds (distance) P-C4' energy: -71.611
flat angles C4'-P-C4' energy: -78.935
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -33.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -633.623284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.623284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.623284 (E_RNA)
where:
Base-Base interactions energy: -353.719
where: short stacking energy: -159.726
Base-Backbone interact. energy: 0.344
local terms energy: -280.248625
where:
bonds (distance) C4'-P energy: -82.272
bonds (distance) P-C4' energy: -86.296
flat angles C4'-P-C4' energy: -67.720
flat angles P-C4'-P energy: -35.106
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -499.416286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.416286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.416286 (E_RNA)
where:
Base-Base interactions energy: -252.373
where: short stacking energy: -125.945
Base-Backbone interact. energy: -0.796
local terms energy: -246.247412
where:
bonds (distance) C4'-P energy: -72.784
bonds (distance) P-C4' energy: -80.786
flat angles C4'-P-C4' energy: -46.041
flat angles P-C4'-P energy: -53.614
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: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1284.587249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.587249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.587249 (E_RNA)
where:
Base-Base interactions energy: -841.071
where: short stacking energy: -386.697
Base-Backbone interact. energy: -2.072
local terms energy: -441.443902
where:
bonds (distance) C4'-P energy: -92.112
bonds (distance) P-C4' energy: -86.437
flat angles C4'-P-C4' energy: -95.345
flat angles P-C4'-P energy: -71.074
tors. eta vs tors. theta energy: -96.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1141.142522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.142522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.142522 (E_RNA)
where:
Base-Base interactions energy: -725.689
where: short stacking energy: -343.368
Base-Backbone interact. energy: -3.213
local terms energy: -412.240700
where:
bonds (distance) C4'-P energy: -94.733
bonds (distance) P-C4' energy: -88.607
flat angles C4'-P-C4' energy: -91.851
flat angles P-C4'-P energy: -58.401
tors. eta vs tors. theta energy: -78.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1055.045735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.045735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.045735 (E_RNA)
where:
Base-Base interactions energy: -635.131
where: short stacking energy: -339.939
Base-Backbone interact. energy: -1.669
local terms energy: -418.245434
where:
bonds (distance) C4'-P energy: -88.792
bonds (distance) P-C4' energy: -88.791
flat angles C4'-P-C4' energy: -96.967
flat angles P-C4'-P energy: -59.288
tors. eta vs tors. theta energy: -84.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1087.159437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.159437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.159437 (E_RNA)
where:
Base-Base interactions energy: -741.361
where: short stacking energy: -338.278
Base-Backbone interact. energy: -2.307
local terms energy: -343.491218
where:
bonds (distance) C4'-P energy: -56.032
bonds (distance) P-C4' energy: -82.384
flat angles C4'-P-C4' energy: -82.951
flat angles P-C4'-P energy: -57.216
tors. eta vs tors. theta energy: -64.907
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: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -964.680026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.680026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.680026 (E_RNA)
where:
Base-Base interactions energy: -589.202
where: short stacking energy: -279.391
Base-Backbone interact. energy: 0.257
local terms energy: -375.735637
where:
bonds (distance) C4'-P energy: -74.664
bonds (distance) P-C4' energy: -85.003
flat angles C4'-P-C4' energy: -98.796
flat angles P-C4'-P energy: -63.840
tors. eta vs tors. theta energy: -53.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1056.975957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.975957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.975957 (E_RNA)
where:
Base-Base interactions energy: -658.731
where: short stacking energy: -310.602
Base-Backbone interact. energy: 2.000
local terms energy: -400.244886
where:
bonds (distance) C4'-P energy: -88.474
bonds (distance) P-C4' energy: -84.229
flat angles C4'-P-C4' energy: -90.649
flat angles P-C4'-P energy: -65.097
tors. eta vs tors. theta energy: -71.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -847.612773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.612773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.612773 (E_RNA)
where:
Base-Base interactions energy: -536.470
where: short stacking energy: -274.905
Base-Backbone interact. energy: -2.254
local terms energy: -308.889108
where:
bonds (distance) C4'-P energy: -65.729
bonds (distance) P-C4' energy: -75.037
flat angles C4'-P-C4' energy: -72.814
flat angles P-C4'-P energy: -47.177
tors. eta vs tors. theta energy: -48.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -681.618839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.618839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.618839 (E_RNA)
where:
Base-Base interactions energy: -366.929
where: short stacking energy: -191.409
Base-Backbone interact. energy: -1.556
local terms energy: -313.133867
where:
bonds (distance) C4'-P energy: -86.904
bonds (distance) P-C4' energy: -76.541
flat angles C4'-P-C4' energy: -68.338
flat angles P-C4'-P energy: -50.866
tors. eta vs tors. theta energy: -30.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -686.465727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.465727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.465727 (E_RNA)
where:
Base-Base interactions energy: -392.555
where: short stacking energy: -181.436
Base-Backbone interact. energy: 1.934
local terms energy: -295.844227
where:
bonds (distance) C4'-P energy: -83.615
bonds (distance) P-C4' energy: -73.235
flat angles C4'-P-C4' energy: -88.053
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -12.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -504.505620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.505620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.505620 (E_RNA)
where:
Base-Base interactions energy: -252.044
where: short stacking energy: -151.270
Base-Backbone interact. energy: 3.766
local terms energy: -256.228089
where:
bonds (distance) C4'-P energy: -66.784
bonds (distance) P-C4' energy: -83.980
flat angles C4'-P-C4' energy: -65.664
flat angles P-C4'-P energy: -27.418
tors. eta vs tors. theta energy: -12.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1342.124331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.124331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.124331 (E_RNA)
where:
Base-Base interactions energy: -861.304
where: short stacking energy: -429.992
Base-Backbone interact. energy: -2.967
local terms energy: -477.852818
where:
bonds (distance) C4'-P energy: -90.735
bonds (distance) P-C4' energy: -97.520
flat angles C4'-P-C4' energy: -99.432
flat angles P-C4'-P energy: -77.063
tors. eta vs tors. theta energy: -113.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1165.669647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.669647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.669647 (E_RNA)
where:
Base-Base interactions energy: -746.099
where: short stacking energy: -358.078
Base-Backbone interact. energy: -1.246
local terms energy: -418.324726
where:
bonds (distance) C4'-P energy: -83.651
bonds (distance) P-C4' energy: -93.453
flat angles C4'-P-C4' energy: -104.962
flat angles P-C4'-P energy: -63.917
tors. eta vs tors. theta energy: -72.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1157.198094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.198094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.198094 (E_RNA)
where:
Base-Base interactions energy: -718.728
where: short stacking energy: -351.055
Base-Backbone interact. energy: -3.894
local terms energy: -434.575901
where:
bonds (distance) C4'-P energy: -83.318
bonds (distance) P-C4' energy: -95.365
flat angles C4'-P-C4' energy: -105.773
flat angles P-C4'-P energy: -60.214
tors. eta vs tors. theta energy: -89.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1021.093789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.093789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.093789 (E_RNA)
where:
Base-Base interactions energy: -633.632
where: short stacking energy: -320.461
Base-Backbone interact. energy: -1.801
local terms energy: -385.660361
where:
bonds (distance) C4'-P energy: -74.190
bonds (distance) P-C4' energy: -95.942
flat angles C4'-P-C4' energy: -97.748
flat angles P-C4'-P energy: -47.949
tors. eta vs tors. theta energy: -69.832
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: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1040.169282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.169282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.169282 (E_RNA)
where:
Base-Base interactions energy: -663.588
where: short stacking energy: -333.220
Base-Backbone interact. energy: 2.103
local terms energy: -378.684561
where:
bonds (distance) C4'-P energy: -86.718
bonds (distance) P-C4' energy: -69.690
flat angles C4'-P-C4' energy: -94.879
flat angles P-C4'-P energy: -47.233
tors. eta vs tors. theta energy: -80.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -925.962427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.962427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.962427 (E_RNA)
where:
Base-Base interactions energy: -583.628
where: short stacking energy: -246.541
Base-Backbone interact. energy: -4.390
local terms energy: -337.944259
where:
bonds (distance) C4'-P energy: -77.789
bonds (distance) P-C4' energy: -82.836
flat angles C4'-P-C4' energy: -81.554
flat angles P-C4'-P energy: -48.594
tors. eta vs tors. theta energy: -47.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -853.250929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.250929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.250929 (E_RNA)
where:
Base-Base interactions energy: -517.155
where: short stacking energy: -276.518
Base-Backbone interact. energy: -1.188
local terms energy: -334.907473
where:
bonds (distance) C4'-P energy: -68.404
bonds (distance) P-C4' energy: -93.003
flat angles C4'-P-C4' energy: -69.254
flat angles P-C4'-P energy: -46.307
tors. eta vs tors. theta energy: -57.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -709.437290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.437290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.437290 (E_RNA)
where:
Base-Base interactions energy: -391.851
where: short stacking energy: -192.912
Base-Backbone interact. energy: -2.539
local terms energy: -315.047603
where:
bonds (distance) C4'-P energy: -92.222
bonds (distance) P-C4' energy: -70.979
flat angles C4'-P-C4' energy: -78.789
flat angles P-C4'-P energy: -47.019
tors. eta vs tors. theta energy: -26.038
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: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -771.431741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.431741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.431741 (E_RNA)
where:
Base-Base interactions energy: -486.207
where: short stacking energy: -218.345
Base-Backbone interact. energy: 3.707
local terms energy: -288.931907
where:
bonds (distance) C4'-P energy: -63.394
bonds (distance) P-C4' energy: -87.214
flat angles C4'-P-C4' energy: -71.537
flat angles P-C4'-P energy: -46.930
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: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -531.734260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.734260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.734260 (E_RNA)
where:
Base-Base interactions energy: -265.846
where: short stacking energy: -153.933
Base-Backbone interact. energy: -0.317
local terms energy: -265.571205
where:
bonds (distance) C4'-P energy: -73.751
bonds (distance) P-C4' energy: -77.476
flat angles C4'-P-C4' energy: -69.640
flat angles P-C4'-P energy: -41.751
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: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1310.757646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.757646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.757646 (E_RNA)
where:
Base-Base interactions energy: -832.206
where: short stacking energy: -418.898
Base-Backbone interact. energy: -2.327
local terms energy: -476.224633
where:
bonds (distance) C4'-P energy: -86.643
bonds (distance) P-C4' energy: -97.586
flat angles C4'-P-C4' energy: -106.912
flat angles P-C4'-P energy: -73.574
tors. eta vs tors. theta energy: -111.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1167.705000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.705000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.705000 (E_RNA)
where:
Base-Base interactions energy: -747.798
where: short stacking energy: -338.018
Base-Backbone interact. energy: -2.451
local terms energy: -417.456174
where:
bonds (distance) C4'-P energy: -88.255
bonds (distance) P-C4' energy: -99.450
flat angles C4'-P-C4' energy: -86.876
flat angles P-C4'-P energy: -64.562
tors. eta vs tors. theta energy: -78.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1200.404165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.404165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.404165 (E_RNA)
where:
Base-Base interactions energy: -773.336
where: short stacking energy: -352.879
Base-Backbone interact. energy: 2.432
local terms energy: -429.500159
where:
bonds (distance) C4'-P energy: -97.346
bonds (distance) P-C4' energy: -79.545
flat angles C4'-P-C4' energy: -104.310
flat angles P-C4'-P energy: -69.257
tors. eta vs tors. theta energy: -79.041
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: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1137.269132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.269132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.269132 (E_RNA)
where:
Base-Base interactions energy: -723.291
where: short stacking energy: -358.742
Base-Backbone interact. energy: -3.275
local terms energy: -410.703716
where:
bonds (distance) C4'-P energy: -79.690
bonds (distance) P-C4' energy: -96.138
flat angles C4'-P-C4' energy: -99.245
flat angles P-C4'-P energy: -51.721
tors. eta vs tors. theta energy: -83.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -946.088342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.088342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.088342 (E_RNA)
where:
Base-Base interactions energy: -572.823
where: short stacking energy: -294.998
Base-Backbone interact. energy: 1.609
local terms energy: -374.873825
where:
bonds (distance) C4'-P energy: -83.101
bonds (distance) P-C4' energy: -93.397
flat angles C4'-P-C4' energy: -78.391
flat angles P-C4'-P energy: -60.959
tors. eta vs tors. theta energy: -59.025
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: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -975.369539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.369539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.369539 (E_RNA)
where:
Base-Base interactions energy: -598.223
where: short stacking energy: -303.381
Base-Backbone interact. energy: 0.453
local terms energy: -377.599243
where:
bonds (distance) C4'-P energy: -90.855
bonds (distance) P-C4' energy: -87.993
flat angles C4'-P-C4' energy: -72.126
flat angles P-C4'-P energy: -56.142
tors. eta vs tors. theta energy: -70.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -857.809741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.809741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.809741 (E_RNA)
where:
Base-Base interactions energy: -513.643
where: short stacking energy: -229.968
Base-Backbone interact. energy: -2.140
local terms energy: -342.026657
where:
bonds (distance) C4'-P energy: -78.818
bonds (distance) P-C4' energy: -83.319
flat angles C4'-P-C4' energy: -81.414
flat angles P-C4'-P energy: -59.877
tors. eta vs tors. theta energy: -38.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -825.283070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.283070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.283070 (E_RNA)
where:
Base-Base interactions energy: -518.577
where: short stacking energy: -236.904
Base-Backbone interact. energy: 0.433
local terms energy: -307.139429
where:
bonds (distance) C4'-P energy: -69.821
bonds (distance) P-C4' energy: -93.401
flat angles C4'-P-C4' energy: -71.244
flat angles P-C4'-P energy: -42.740
tors. eta vs tors. theta energy: -29.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -652.979314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.979314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.979314 (E_RNA)
where:
Base-Base interactions energy: -370.664
where: short stacking energy: -187.915
Base-Backbone interact. energy: -1.730
local terms energy: -280.584635
where:
bonds (distance) C4'-P energy: -72.216
bonds (distance) P-C4' energy: -84.640
flat angles C4'-P-C4' energy: -66.342
flat angles P-C4'-P energy: -30.830
tors. eta vs tors. theta energy: -26.557
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: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -435.169154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.169154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.169154 (E_RNA)
where:
Base-Base interactions energy: -182.165
where: short stacking energy: -128.896
Base-Backbone interact. energy: 3.469
local terms energy: -256.473025
where:
bonds (distance) C4'-P energy: -83.345
bonds (distance) P-C4' energy: -73.322
flat angles C4'-P-C4' energy: -64.480
flat angles P-C4'-P energy: -39.276
tors. eta vs tors. theta energy: 3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1295.723430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.723430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.723430 (E_RNA)
where:
Base-Base interactions energy: -849.564
where: short stacking energy: -410.705
Base-Backbone interact. energy: -0.378
local terms energy: -445.780858
where:
bonds (distance) C4'-P energy: -88.990
bonds (distance) P-C4' energy: -83.373
flat angles C4'-P-C4' energy: -94.333
flat angles P-C4'-P energy: -69.919
tors. eta vs tors. theta energy: -109.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1161.793473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.793473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.793473 (E_RNA)
where:
Base-Base interactions energy: -771.034
where: short stacking energy: -319.926
Base-Backbone interact. energy: 1.090
local terms energy: -391.849598
where:
bonds (distance) C4'-P energy: -88.488
bonds (distance) P-C4' energy: -89.141
flat angles C4'-P-C4' energy: -99.381
flat angles P-C4'-P energy: -55.412
tors. eta vs tors. theta energy: -59.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1226.033927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.033927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.033927 (E_RNA)
where:
Base-Base interactions energy: -788.775
where: short stacking energy: -367.482
Base-Backbone interact. energy: -0.513
local terms energy: -436.745212
where:
bonds (distance) C4'-P energy: -88.975
bonds (distance) P-C4' energy: -88.730
flat angles C4'-P-C4' energy: -95.986
flat angles P-C4'-P energy: -70.450
tors. eta vs tors. theta energy: -92.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1160.511168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.511168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.511168 (E_RNA)
where:
Base-Base interactions energy: -738.042
where: short stacking energy: -368.822
Base-Backbone interact. energy: -1.749
local terms energy: -420.719833
where:
bonds (distance) C4'-P energy: -93.632
bonds (distance) P-C4' energy: -75.180
flat angles C4'-P-C4' energy: -95.461
flat angles P-C4'-P energy: -54.365
tors. eta vs tors. theta energy: -102.082
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: 5, replica: 6
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1045.061998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.061998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.061998 (E_RNA)
where:
Base-Base interactions energy: -650.372
where: short stacking energy: -321.812
Base-Backbone interact. energy: -1.229
local terms energy: -393.460830
where:
bonds (distance) C4'-P energy: -74.792
bonds (distance) P-C4' energy: -88.136
flat angles C4'-P-C4' energy: -89.976
flat angles P-C4'-P energy: -58.169
tors. eta vs tors. theta energy: -82.388
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: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -896.768081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.768081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.768081 (E_RNA)
where:
Base-Base interactions energy: -536.649
where: short stacking energy: -266.645
Base-Backbone interact. energy: -1.794
local terms energy: -358.324503
where:
bonds (distance) C4'-P energy: -73.993
bonds (distance) P-C4' energy: -78.162
flat angles C4'-P-C4' energy: -87.233
flat angles P-C4'-P energy: -60.203
tors. eta vs tors. theta energy: -58.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -893.978382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.978382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.978382 (E_RNA)
where:
Base-Base interactions energy: -590.821
where: short stacking energy: -275.947
Base-Backbone interact. energy: -1.980
local terms energy: -301.177482
where:
bonds (distance) C4'-P energy: -62.251
bonds (distance) P-C4' energy: -67.440
flat angles C4'-P-C4' energy: -80.032
flat angles P-C4'-P energy: -42.870
tors. eta vs tors. theta energy: -48.584
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: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -829.839364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.839364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.839364 (E_RNA)
where:
Base-Base interactions energy: -537.806
where: short stacking energy: -239.877
Base-Backbone interact. energy: -0.628
local terms energy: -291.405204
where:
bonds (distance) C4'-P energy: -80.412
bonds (distance) P-C4' energy: -67.377
flat angles C4'-P-C4' energy: -74.487
flat angles P-C4'-P energy: -42.671
tors. eta vs tors. theta energy: -26.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -693.417494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.417494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.417494 (E_RNA)
where:
Base-Base interactions energy: -391.569
where: short stacking energy: -191.278
Base-Backbone interact. energy: 1.155
local terms energy: -303.003429
where:
bonds (distance) C4'-P energy: -80.457
bonds (distance) P-C4' energy: -76.063
flat angles C4'-P-C4' energy: -76.704
flat angles P-C4'-P energy: -41.042
tors. eta vs tors. theta energy: -28.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -467.239251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.239251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.239251 (E_RNA)
where:
Base-Base interactions energy: -205.305
where: short stacking energy: -132.557
Base-Backbone interact. energy: -0.323
local terms energy: -261.611168
where:
bonds (distance) C4'-P energy: -72.113
bonds (distance) P-C4' energy: -79.483
flat angles C4'-P-C4' energy: -65.090
flat angles P-C4'-P energy: -38.603
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1298.004690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.004690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.004690 (E_RNA)
where:
Base-Base interactions energy: -836.192
where: short stacking energy: -402.941
Base-Backbone interact. energy: -4.238
local terms energy: -457.574925
where:
bonds (distance) C4'-P energy: -89.955
bonds (distance) P-C4' energy: -93.544
flat angles C4'-P-C4' energy: -101.998
flat angles P-C4'-P energy: -64.617
tors. eta vs tors. theta energy: -107.461
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: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1308.269804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.269804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.269804 (E_RNA)
where:
Base-Base interactions energy: -882.770
where: short stacking energy: -430.317
Base-Backbone interact. energy: -4.285
local terms energy: -421.214822
where:
bonds (distance) C4'-P energy: -74.893
bonds (distance) P-C4' energy: -87.404
flat angles C4'-P-C4' energy: -105.973
flat angles P-C4'-P energy: -57.353
tors. eta vs tors. theta energy: -95.592
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: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1143.477865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.477865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.477865 (E_RNA)
where:
Base-Base interactions energy: -728.273
where: short stacking energy: -352.125
Base-Backbone interact. energy: -1.766
local terms energy: -413.439044
where:
bonds (distance) C4'-P energy: -94.097
bonds (distance) P-C4' energy: -86.447
flat angles C4'-P-C4' energy: -99.979
flat angles P-C4'-P energy: -54.002
tors. eta vs tors. theta energy: -78.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1133.318719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.318719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.318719 (E_RNA)
where:
Base-Base interactions energy: -724.634
where: short stacking energy: -350.062
Base-Backbone interact. energy: -0.183
local terms energy: -408.500953
where:
bonds (distance) C4'-P energy: -80.881
bonds (distance) P-C4' energy: -97.728
flat angles C4'-P-C4' energy: -86.287
flat angles P-C4'-P energy: -60.494
tors. eta vs tors. theta energy: -83.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1111.400149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.400149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.400149 (E_RNA)
where:
Base-Base interactions energy: -733.400
where: short stacking energy: -339.538
Base-Backbone interact. energy: 0.814
local terms energy: -378.814176
where:
bonds (distance) C4'-P energy: -83.622
bonds (distance) P-C4' energy: -78.144
flat angles C4'-P-C4' energy: -83.159
flat angles P-C4'-P energy: -53.895
tors. eta vs tors. theta energy: -79.994
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: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -909.973874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.973874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.973874 (E_RNA)
where:
Base-Base interactions energy: -574.667
where: short stacking energy: -303.442
Base-Backbone interact. energy: 1.134
local terms energy: -336.440780
where:
bonds (distance) C4'-P energy: -78.067
bonds (distance) P-C4' energy: -85.588
flat angles C4'-P-C4' energy: -69.663
flat angles P-C4'-P energy: -47.990
tors. eta vs tors. theta energy: -55.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -793.440763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.440763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.440763 (E_RNA)
where:
Base-Base interactions energy: -468.902
where: short stacking energy: -229.208
Base-Backbone interact. energy: -1.695
local terms energy: -322.844267
where:
bonds (distance) C4'-P energy: -71.391
bonds (distance) P-C4' energy: -83.916
flat angles C4'-P-C4' energy: -78.945
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -37.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -865.309962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.309962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.309962 (E_RNA)
where:
Base-Base interactions energy: -557.260
where: short stacking energy: -263.105
Base-Backbone interact. energy: 0.872
local terms energy: -308.921762
where:
bonds (distance) C4'-P energy: -76.522
bonds (distance) P-C4' energy: -80.674
flat angles C4'-P-C4' energy: -68.522
flat angles P-C4'-P energy: -47.371
tors. eta vs tors. theta energy: -35.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -672.715131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.715131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.715131 (E_RNA)
where:
Base-Base interactions energy: -400.931
where: short stacking energy: -183.475
Base-Backbone interact. energy: 2.164
local terms energy: -273.948239
where:
bonds (distance) C4'-P energy: -68.890
bonds (distance) P-C4' energy: -62.617
flat angles C4'-P-C4' energy: -66.705
flat angles P-C4'-P energy: -50.672
tors. eta vs tors. theta energy: -25.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -471.513340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.513340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.513340 (E_RNA)
where:
Base-Base interactions energy: -232.797
where: short stacking energy: -138.382
Base-Backbone interact. energy: -2.372
local terms energy: -236.344619
where:
bonds (distance) C4'-P energy: -61.524
bonds (distance) P-C4' energy: -90.238
flat angles C4'-P-C4' energy: -48.433
flat angles P-C4'-P energy: -41.382
tors. eta vs tors. theta energy: 5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1314.722839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.722839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.722839 (E_RNA)
where:
Base-Base interactions energy: -848.652
where: short stacking energy: -416.186
Base-Backbone interact. energy: -1.957
local terms energy: -464.113451
where:
bonds (distance) C4'-P energy: -96.845
bonds (distance) P-C4' energy: -90.022
flat angles C4'-P-C4' energy: -93.626
flat angles P-C4'-P energy: -66.405
tors. eta vs tors. theta energy: -117.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1303.158806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.158806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.158806 (E_RNA)
where:
Base-Base interactions energy: -876.018
where: short stacking energy: -418.440
Base-Backbone interact. energy: -1.268
local terms energy: -425.872565
where:
bonds (distance) C4'-P energy: -78.414
bonds (distance) P-C4' energy: -88.984
flat angles C4'-P-C4' energy: -90.273
flat angles P-C4'-P energy: -72.492
tors. eta vs tors. theta energy: -95.710
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: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1187.804790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.804790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.804790 (E_RNA)
where:
Base-Base interactions energy: -733.321
where: short stacking energy: -379.403
Base-Backbone interact. energy: -0.359
local terms energy: -454.125600
where:
bonds (distance) C4'-P energy: -98.833
bonds (distance) P-C4' energy: -89.619
flat angles C4'-P-C4' energy: -102.321
flat angles P-C4'-P energy: -57.493
tors. eta vs tors. theta energy: -105.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1182.638267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.638267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.638267 (E_RNA)
where:
Base-Base interactions energy: -772.131
where: short stacking energy: -354.322
Base-Backbone interact. energy: 0.963
local terms energy: -411.470274
where:
bonds (distance) C4'-P energy: -82.828
bonds (distance) P-C4' energy: -88.716
flat angles C4'-P-C4' energy: -97.919
flat angles P-C4'-P energy: -52.332
tors. eta vs tors. theta energy: -89.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1124.264523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.264523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.264523 (E_RNA)
where:
Base-Base interactions energy: -738.490
where: short stacking energy: -355.517
Base-Backbone interact. energy: -1.570
local terms energy: -384.203904
where:
bonds (distance) C4'-P energy: -79.498
bonds (distance) P-C4' energy: -82.595
flat angles C4'-P-C4' energy: -83.082
flat angles P-C4'-P energy: -56.046
tors. eta vs tors. theta energy: -82.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -922.807684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.807684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.807684 (E_RNA)
where:
Base-Base interactions energy: -569.977
where: short stacking energy: -297.530
Base-Backbone interact. energy: -0.142
local terms energy: -352.689204
where:
bonds (distance) C4'-P energy: -79.352
bonds (distance) P-C4' energy: -82.220
flat angles C4'-P-C4' energy: -77.176
flat angles P-C4'-P energy: -47.907
tors. eta vs tors. theta energy: -66.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -914.744210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.744210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.744210 (E_RNA)
where:
Base-Base interactions energy: -569.849
where: short stacking energy: -250.283
Base-Backbone interact. energy: -2.684
local terms energy: -342.211426
where:
bonds (distance) C4'-P energy: -74.763
bonds (distance) P-C4' energy: -93.081
flat angles C4'-P-C4' energy: -82.730
flat angles P-C4'-P energy: -47.453
tors. eta vs tors. theta energy: -44.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -743.928849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.928849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.928849 (E_RNA)
where:
Base-Base interactions energy: -437.206
where: short stacking energy: -228.724
Base-Backbone interact. energy: -1.848
local terms energy: -304.874794
where:
bonds (distance) C4'-P energy: -83.383
bonds (distance) P-C4' energy: -75.448
flat angles C4'-P-C4' energy: -60.314
flat angles P-C4'-P energy: -46.318
tors. eta vs tors. theta energy: -39.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -666.859992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.859992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.859992 (E_RNA)
where:
Base-Base interactions energy: -375.625
where: short stacking energy: -210.141
Base-Backbone interact. energy: -3.250
local terms energy: -287.985643
where:
bonds (distance) C4'-P energy: -69.438
bonds (distance) P-C4' energy: -72.867
flat angles C4'-P-C4' energy: -63.544
flat angles P-C4'-P energy: -56.951
tors. eta vs tors. theta energy: -25.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -362.327485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.327485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.327485 (E_RNA)
where:
Base-Base interactions energy: -127.149
where: short stacking energy: -108.896
Base-Backbone interact. energy: -1.925
local terms energy: -233.253414
where:
bonds (distance) C4'-P energy: -63.184
bonds (distance) P-C4' energy: -81.352
flat angles C4'-P-C4' energy: -59.821
flat angles P-C4'-P energy: -37.574
tors. eta vs tors. theta energy: 8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1317.239500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.239500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.239500 (E_RNA)
where:
Base-Base interactions energy: -847.431
where: short stacking energy: -402.810
Base-Backbone interact. energy: 2.321
local terms energy: -472.129091
where:
bonds (distance) C4'-P energy: -96.021
bonds (distance) P-C4' energy: -91.902
flat angles C4'-P-C4' energy: -104.827
flat angles P-C4'-P energy: -61.785
tors. eta vs tors. theta energy: -117.594
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: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1271.864488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.864488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.864488 (E_RNA)
where:
Base-Base interactions energy: -831.435
where: short stacking energy: -374.852
Base-Backbone interact. energy: -0.439
local terms energy: -439.990537
where:
bonds (distance) C4'-P energy: -91.125
bonds (distance) P-C4' energy: -96.696
flat angles C4'-P-C4' energy: -102.445
flat angles P-C4'-P energy: -53.438
tors. eta vs tors. theta energy: -96.287
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: 3, replica: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1201.246944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.246944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.246944 (E_RNA)
where:
Base-Base interactions energy: -777.641
where: short stacking energy: -390.590
Base-Backbone interact. energy: -2.541
local terms energy: -421.064535
where:
bonds (distance) C4'-P energy: -79.266
bonds (distance) P-C4' energy: -80.393
flat angles C4'-P-C4' energy: -100.809
flat angles P-C4'-P energy: -59.099
tors. eta vs tors. theta energy: -101.498
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: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1174.821556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.821556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.821556 (E_RNA)
where:
Base-Base interactions energy: -792.529
where: short stacking energy: -319.803
Base-Backbone interact. energy: 0.017
local terms energy: -382.309228
where:
bonds (distance) C4'-P energy: -77.897
bonds (distance) P-C4' energy: -80.061
flat angles C4'-P-C4' energy: -74.293
flat angles P-C4'-P energy: -73.157
tors. eta vs tors. theta energy: -76.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1110.970794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.970794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.970794 (E_RNA)
where:
Base-Base interactions energy: -707.449
where: short stacking energy: -351.775
Base-Backbone interact. energy: -2.155
local terms energy: -401.367647
where:
bonds (distance) C4'-P energy: -75.480
bonds (distance) P-C4' energy: -87.255
flat angles C4'-P-C4' energy: -84.951
flat angles P-C4'-P energy: -60.136
tors. eta vs tors. theta energy: -93.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -939.347823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.347823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.347823 (E_RNA)
where:
Base-Base interactions energy: -596.164
where: short stacking energy: -263.362
Base-Backbone interact. energy: 2.464
local terms energy: -345.647677
where:
bonds (distance) C4'-P energy: -82.938
bonds (distance) P-C4' energy: -85.083
flat angles C4'-P-C4' energy: -83.820
flat angles P-C4'-P energy: -47.995
tors. eta vs tors. theta energy: -45.812
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: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -859.323042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.323042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.323042 (E_RNA)
where:
Base-Base interactions energy: -528.925
where: short stacking energy: -236.433
Base-Backbone interact. energy: -0.591
local terms energy: -329.806959
where:
bonds (distance) C4'-P energy: -67.491
bonds (distance) P-C4' energy: -87.858
flat angles C4'-P-C4' energy: -79.910
flat angles P-C4'-P energy: -56.730
tors. eta vs tors. theta energy: -37.818
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: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -690.306144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.306144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.306144 (E_RNA)
where:
Base-Base interactions energy: -413.274
where: short stacking energy: -192.728
Base-Backbone interact. energy: -3.814
local terms energy: -273.218002
where:
bonds (distance) C4'-P energy: -73.220
bonds (distance) P-C4' energy: -79.395
flat angles C4'-P-C4' energy: -52.760
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: -33.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -659.414285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.414285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.414285 (E_RNA)
where:
Base-Base interactions energy: -388.401
where: short stacking energy: -186.715
Base-Backbone interact. energy: 0.049
local terms energy: -271.062773
where:
bonds (distance) C4'-P energy: -77.474
bonds (distance) P-C4' energy: -72.876
flat angles C4'-P-C4' energy: -74.337
flat angles P-C4'-P energy: -31.365
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -407.468962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.468962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.468962 (E_RNA)
where:
Base-Base interactions energy: -145.078
where: short stacking energy: -135.202
Base-Backbone interact. energy: 0.169
local terms energy: -262.560302
where:
bonds (distance) C4'-P energy: -61.588
bonds (distance) P-C4' energy: -79.443
flat angles C4'-P-C4' energy: -70.023
flat angles P-C4'-P energy: -48.818
tors. eta vs tors. theta energy: -2.687
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: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1326.678529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.678529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.678529 (E_RNA)
where:
Base-Base interactions energy: -868.738
where: short stacking energy: -425.082
Base-Backbone interact. energy: -3.647
local terms energy: -454.293237
where:
bonds (distance) C4'-P energy: -89.153
bonds (distance) P-C4' energy: -86.828
flat angles C4'-P-C4' energy: -98.803
flat angles P-C4'-P energy: -72.470
tors. eta vs tors. theta energy: -107.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1285.073725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.073725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.073725 (E_RNA)
where:
Base-Base interactions energy: -853.271
where: short stacking energy: -391.609
Base-Backbone interact. energy: -0.277
local terms energy: -431.525854
where:
bonds (distance) C4'-P energy: -77.892
bonds (distance) P-C4' energy: -86.233
flat angles C4'-P-C4' energy: -104.950
flat angles P-C4'-P energy: -64.156
tors. eta vs tors. theta energy: -98.295
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: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1274.230258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.230258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.230258 (E_RNA)
where:
Base-Base interactions energy: -859.383
where: short stacking energy: -357.745
Base-Backbone interact. energy: -2.137
local terms energy: -412.710151
where:
bonds (distance) C4'-P energy: -87.179
bonds (distance) P-C4' energy: -85.275
flat angles C4'-P-C4' energy: -90.819
flat angles P-C4'-P energy: -64.281
tors. eta vs tors. theta energy: -85.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1179.134343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.134343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.134343 (E_RNA)
where:
Base-Base interactions energy: -765.639
where: short stacking energy: -367.550
Base-Backbone interact. energy: -3.634
local terms energy: -409.862178
where:
bonds (distance) C4'-P energy: -85.291
bonds (distance) P-C4' energy: -74.722
flat angles C4'-P-C4' energy: -87.914
flat angles P-C4'-P energy: -65.567
tors. eta vs tors. theta energy: -96.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1093.612217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.612217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.612217 (E_RNA)
where:
Base-Base interactions energy: -734.071
where: short stacking energy: -345.192
Base-Backbone interact. energy: -0.378
local terms energy: -359.163260
where:
bonds (distance) C4'-P energy: -69.349
bonds (distance) P-C4' energy: -85.129
flat angles C4'-P-C4' energy: -82.555
flat angles P-C4'-P energy: -46.457
tors. eta vs tors. theta energy: -75.673
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: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -914.791888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.791888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.791888 (E_RNA)
where:
Base-Base interactions energy: -573.459
where: short stacking energy: -285.715
Base-Backbone interact. energy: 0.120
local terms energy: -341.453260
where:
bonds (distance) C4'-P energy: -87.392
bonds (distance) P-C4' energy: -69.015
flat angles C4'-P-C4' energy: -82.393
flat angles P-C4'-P energy: -47.151
tors. eta vs tors. theta energy: -55.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -836.095402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.095402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.095402 (E_RNA)
where:
Base-Base interactions energy: -508.556
where: short stacking energy: -271.394
Base-Backbone interact. energy: -1.625
local terms energy: -325.914907
where:
bonds (distance) C4'-P energy: -68.083
bonds (distance) P-C4' energy: -72.542
flat angles C4'-P-C4' energy: -79.688
flat angles P-C4'-P energy: -45.834
tors. eta vs tors. theta energy: -59.767
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: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -662.564526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.564526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.564526 (E_RNA)
where:
Base-Base interactions energy: -391.947
where: short stacking energy: -211.973
Base-Backbone interact. energy: -1.101
local terms energy: -269.516557
where:
bonds (distance) C4'-P energy: -66.365
bonds (distance) P-C4' energy: -79.404
flat angles C4'-P-C4' energy: -74.256
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -31.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -762.735269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.735269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.735269 (E_RNA)
where:
Base-Base interactions energy: -465.493
where: short stacking energy: -242.285
Base-Backbone interact. energy: 1.289
local terms energy: -298.530543
where:
bonds (distance) C4'-P energy: -70.212
bonds (distance) P-C4' energy: -55.233
flat angles C4'-P-C4' energy: -76.858
flat angles P-C4'-P energy: -59.215
tors. eta vs tors. theta energy: -37.012
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: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -400.467963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.467963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.467963 (E_RNA)
where:
Base-Base interactions energy: -152.869
where: short stacking energy: -141.228
Base-Backbone interact. energy: -0.979
local terms energy: -246.619540
where:
bonds (distance) C4'-P energy: -77.544
bonds (distance) P-C4' energy: -66.545
flat angles C4'-P-C4' energy: -66.621
flat angles P-C4'-P energy: -47.160
tors. eta vs tors. theta energy: 11.250
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: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1328.516563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.516563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.516563 (E_RNA)
where:
Base-Base interactions energy: -888.650
where: short stacking energy: -409.550
Base-Backbone interact. energy: -1.986
local terms energy: -437.881028
where:
bonds (distance) C4'-P energy: -86.663
bonds (distance) P-C4' energy: -90.147
flat angles C4'-P-C4' energy: -96.829
flat angles P-C4'-P energy: -68.802
tors. eta vs tors. theta energy: -95.440
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: 27
Temperature: 0.950000
Total energy: -1309.403458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.403458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.403458 (E_RNA)
where:
Base-Base interactions energy: -874.226
where: short stacking energy: -381.974
Base-Backbone interact. energy: -2.106
local terms energy: -433.070766
where:
bonds (distance) C4'-P energy: -90.860
bonds (distance) P-C4' energy: -92.390
flat angles C4'-P-C4' energy: -95.746
flat angles P-C4'-P energy: -65.420
tors. eta vs tors. theta energy: -88.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1228.624316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.624316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.624316 (E_RNA)
where:
Base-Base interactions energy: -812.701
where: short stacking energy: -384.499
Base-Backbone interact. energy: -0.382
local terms energy: -415.541563
where:
bonds (distance) C4'-P energy: -84.846
bonds (distance) P-C4' energy: -78.822
flat angles C4'-P-C4' energy: -101.465
flat angles P-C4'-P energy: -60.539
tors. eta vs tors. theta energy: -89.870
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: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1193.387517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.387517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.387517 (E_RNA)
where:
Base-Base interactions energy: -755.522
where: short stacking energy: -358.352
Base-Backbone interact. energy: -0.229
local terms energy: -437.636395
where:
bonds (distance) C4'-P energy: -89.996
bonds (distance) P-C4' energy: -89.984
flat angles C4'-P-C4' energy: -105.631
flat angles P-C4'-P energy: -65.484
tors. eta vs tors. theta energy: -86.542
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: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1165.114844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.114844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.114844 (E_RNA)
where:
Base-Base interactions energy: -780.892
where: short stacking energy: -377.232
Base-Backbone interact. energy: -1.951
local terms energy: -382.272012
where:
bonds (distance) C4'-P energy: -65.686
bonds (distance) P-C4' energy: -77.016
flat angles C4'-P-C4' energy: -101.339
flat angles P-C4'-P energy: -47.501
tors. eta vs tors. theta energy: -90.729
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: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -954.160129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.160129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.160129 (E_RNA)
where:
Base-Base interactions energy: -576.488
where: short stacking energy: -271.044
Base-Backbone interact. energy: -0.758
local terms energy: -376.913874
where:
bonds (distance) C4'-P energy: -86.055
bonds (distance) P-C4' energy: -83.417
flat angles C4'-P-C4' energy: -91.432
flat angles P-C4'-P energy: -44.264
tors. eta vs tors. theta energy: -71.746
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: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -848.901484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.901484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.901484 (E_RNA)
where:
Base-Base interactions energy: -518.085
where: short stacking energy: -264.009
Base-Backbone interact. energy: -1.285
local terms energy: -329.531377
where:
bonds (distance) C4'-P energy: -65.497
bonds (distance) P-C4' energy: -80.696
flat angles C4'-P-C4' energy: -90.467
flat angles P-C4'-P energy: -52.526
tors. eta vs tors. theta energy: -40.346
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: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -876.770705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.770705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.770705 (E_RNA)
where:
Base-Base interactions energy: -539.194
where: short stacking energy: -256.417
Base-Backbone interact. energy: -0.502
local terms energy: -337.073945
where:
bonds (distance) C4'-P energy: -82.235
bonds (distance) P-C4' energy: -83.207
flat angles C4'-P-C4' energy: -75.040
flat angles P-C4'-P energy: -52.232
tors. eta vs tors. theta energy: -44.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -621.035748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.035748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.035748 (E_RNA)
where:
Base-Base interactions energy: -339.893
where: short stacking energy: -170.686
Base-Backbone interact. energy: 5.073
local terms energy: -286.215969
where:
bonds (distance) C4'-P energy: -72.676
bonds (distance) P-C4' energy: -76.718
flat angles C4'-P-C4' energy: -68.809
flat angles P-C4'-P energy: -52.168
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -386.263570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.263570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.263570 (E_RNA)
where:
Base-Base interactions energy: -140.071
where: short stacking energy: -115.407
Base-Backbone interact. energy: 2.828
local terms energy: -249.020701
where:
bonds (distance) C4'-P energy: -68.259
bonds (distance) P-C4' energy: -94.653
flat angles C4'-P-C4' energy: -69.198
flat angles P-C4'-P energy: -33.906
tors. eta vs tors. theta energy: 16.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1333.677935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.677935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.677935 (E_RNA)
where:
Base-Base interactions energy: -894.388
where: short stacking energy: -407.650
Base-Backbone interact. energy: -2.466
local terms energy: -436.824344
where:
bonds (distance) C4'-P energy: -89.799
bonds (distance) P-C4' energy: -88.709
flat angles C4'-P-C4' energy: -91.944
flat angles P-C4'-P energy: -65.564
tors. eta vs tors. theta energy: -100.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1334.015154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.015154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.015154 (E_RNA)
where:
Base-Base interactions energy: -895.294
where: short stacking energy: -383.523
Base-Backbone interact. energy: 0.113
local terms energy: -438.833967
where:
bonds (distance) C4'-P energy: -88.286
bonds (distance) P-C4' energy: -94.199
flat angles C4'-P-C4' energy: -93.344
flat angles P-C4'-P energy: -76.244
tors. eta vs tors. theta energy: -86.761
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: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1236.728882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.728882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.728882 (E_RNA)
where:
Base-Base interactions energy: -835.180
where: short stacking energy: -370.694
Base-Backbone interact. energy: -1.184
local terms energy: -400.365306
where:
bonds (distance) C4'-P energy: -81.524
bonds (distance) P-C4' energy: -76.884
flat angles C4'-P-C4' energy: -91.550
flat angles P-C4'-P energy: -53.239
tors. eta vs tors. theta energy: -97.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1202.045377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.045377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.045377 (E_RNA)
where:
Base-Base interactions energy: -770.258
where: short stacking energy: -376.000
Base-Backbone interact. energy: -1.914
local terms energy: -429.873943
where:
bonds (distance) C4'-P energy: -86.124
bonds (distance) P-C4' energy: -79.230
flat angles C4'-P-C4' energy: -93.608
flat angles P-C4'-P energy: -64.550
tors. eta vs tors. theta energy: -106.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1142.660002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.660002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.660002 (E_RNA)
where:
Base-Base interactions energy: -750.605
where: short stacking energy: -359.493
Base-Backbone interact. energy: -2.170
local terms energy: -389.884633
where:
bonds (distance) C4'-P energy: -85.530
bonds (distance) P-C4' energy: -66.423
flat angles C4'-P-C4' energy: -100.211
flat angles P-C4'-P energy: -48.024
tors. eta vs tors. theta energy: -89.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -969.284568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.284568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.284568 (E_RNA)
where:
Base-Base interactions energy: -605.577
where: short stacking energy: -275.644
Base-Backbone interact. energy: 3.969
local terms energy: -367.676741
where:
bonds (distance) C4'-P energy: -92.096
bonds (distance) P-C4' energy: -80.328
flat angles C4'-P-C4' energy: -77.979
flat angles P-C4'-P energy: -59.049
tors. eta vs tors. theta energy: -58.225
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: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -912.174176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.174176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.174176 (E_RNA)
where:
Base-Base interactions energy: -572.367
where: short stacking energy: -264.969
Base-Backbone interact. energy: -1.600
local terms energy: -338.206619
where:
bonds (distance) C4'-P energy: -82.916
bonds (distance) P-C4' energy: -74.236
flat angles C4'-P-C4' energy: -89.778
flat angles P-C4'-P energy: -44.522
tors. eta vs tors. theta energy: -46.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -812.273922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.273922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.273922 (E_RNA)
where:
Base-Base interactions energy: -503.156
where: short stacking energy: -226.730
Base-Backbone interact. energy: -1.688
local terms energy: -307.430810
where:
bonds (distance) C4'-P energy: -89.787
bonds (distance) P-C4' energy: -82.402
flat angles C4'-P-C4' energy: -75.033
flat angles P-C4'-P energy: -34.283
tors. eta vs tors. theta energy: -25.925
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: 3
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -667.920326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.920326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.920326 (E_RNA)
where:
Base-Base interactions energy: -391.233
where: short stacking energy: -217.667
Base-Backbone interact. energy: 2.326
local terms energy: -279.013601
where:
bonds (distance) C4'-P energy: -63.334
bonds (distance) P-C4' energy: -75.772
flat angles C4'-P-C4' energy: -81.376
flat angles P-C4'-P energy: -33.623
tors. eta vs tors. theta energy: -24.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -412.540623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.540623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.540623 (E_RNA)
where:
Base-Base interactions energy: -182.573
where: short stacking energy: -118.519
Base-Backbone interact. energy: 1.291
local terms energy: -231.259442
where:
bonds (distance) C4'-P energy: -74.270
bonds (distance) P-C4' energy: -80.878
flat angles C4'-P-C4' energy: -65.010
flat angles P-C4'-P energy: -19.316
tors. eta vs tors. theta energy: 8.214
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: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1341.481802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.481802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.481802 (E_RNA)
where:
Base-Base interactions energy: -867.860
where: short stacking energy: -409.467
Base-Backbone interact. energy: 0.470
local terms energy: -474.092323
where:
bonds (distance) C4'-P energy: -99.642
bonds (distance) P-C4' energy: -90.690
flat angles C4'-P-C4' energy: -105.524
flat angles P-C4'-P energy: -60.858
tors. eta vs tors. theta energy: -117.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1329.998133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.998133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.998133 (E_RNA)
where:
Base-Base interactions energy: -891.179
where: short stacking energy: -382.354
Base-Backbone interact. energy: -2.459
local terms energy: -436.360168
where:
bonds (distance) C4'-P energy: -87.181
bonds (distance) P-C4' energy: -99.988
flat angles C4'-P-C4' energy: -91.985
flat angles P-C4'-P energy: -68.057
tors. eta vs tors. theta energy: -89.149
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: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1302.216480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.216480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.216480 (E_RNA)
where:
Base-Base interactions energy: -864.663
where: short stacking energy: -402.793
Base-Backbone interact. energy: 5.257
local terms energy: -442.811200
where:
bonds (distance) C4'-P energy: -88.558
bonds (distance) P-C4' energy: -85.950
flat angles C4'-P-C4' energy: -102.080
flat angles P-C4'-P energy: -63.801
tors. eta vs tors. theta energy: -102.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1177.781526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.781526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.781526 (E_RNA)
where:
Base-Base interactions energy: -765.198
where: short stacking energy: -372.769
Base-Backbone interact. energy: -1.658
local terms energy: -410.925998
where:
bonds (distance) C4'-P energy: -77.027
bonds (distance) P-C4' energy: -90.790
flat angles C4'-P-C4' energy: -83.547
flat angles P-C4'-P energy: -55.514
tors. eta vs tors. theta energy: -104.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1124.590474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.590474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.590474 (E_RNA)
where:
Base-Base interactions energy: -738.763
where: short stacking energy: -324.538
Base-Backbone interact. energy: -0.864
local terms energy: -384.963843
where:
bonds (distance) C4'-P energy: -88.669
bonds (distance) P-C4' energy: -79.482
flat angles C4'-P-C4' energy: -92.682
flat angles P-C4'-P energy: -43.582
tors. eta vs tors. theta energy: -80.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1035.916564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.916564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.916564 (E_RNA)
where:
Base-Base interactions energy: -678.003
where: short stacking energy: -294.283
Base-Backbone interact. energy: 6.864
local terms energy: -364.777092
where:
bonds (distance) C4'-P energy: -88.523
bonds (distance) P-C4' energy: -82.678
flat angles C4'-P-C4' energy: -98.151
flat angles P-C4'-P energy: -35.638
tors. eta vs tors. theta energy: -59.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -877.334990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.334990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.334990 (E_RNA)
where:
Base-Base interactions energy: -543.401
where: short stacking energy: -274.793
Base-Backbone interact. energy: -1.106
local terms energy: -332.827470
where:
bonds (distance) C4'-P energy: -63.042
bonds (distance) P-C4' energy: -99.372
flat angles C4'-P-C4' energy: -74.235
flat angles P-C4'-P energy: -53.402
tors. eta vs tors. theta energy: -42.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -796.733180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.733180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.733180 (E_RNA)
where:
Base-Base interactions energy: -509.989
where: short stacking energy: -229.469
Base-Backbone interact. energy: -3.253
local terms energy: -283.490845
where:
bonds (distance) C4'-P energy: -66.601
bonds (distance) P-C4' energy: -75.043
flat angles C4'-P-C4' energy: -75.702
flat angles P-C4'-P energy: -36.989
tors. eta vs tors. theta energy: -29.156
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: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -682.301272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.301272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.301272 (E_RNA)
where:
Base-Base interactions energy: -373.370
where: short stacking energy: -198.475
Base-Backbone interact. energy: -2.971
local terms energy: -305.960191
where:
bonds (distance) C4'-P energy: -72.385
bonds (distance) P-C4' energy: -84.662
flat angles C4'-P-C4' energy: -77.668
flat angles P-C4'-P energy: -46.768
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -440.337164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.337164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.337164 (E_RNA)
where:
Base-Base interactions energy: -232.860
where: short stacking energy: -143.507
Base-Backbone interact. energy: -0.212
local terms energy: -207.264524
where:
bonds (distance) C4'-P energy: -52.596
bonds (distance) P-C4' energy: -70.609
flat angles C4'-P-C4' energy: -50.721
flat angles P-C4'-P energy: -41.376
tors. eta vs tors. theta energy: 8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1380.185667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.185667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.185667 (E_RNA)
where:
Base-Base interactions energy: -926.456
where: short stacking energy: -377.885
Base-Backbone interact. energy: -1.994
local terms energy: -451.735963
where:
bonds (distance) C4'-P energy: -96.556
bonds (distance) P-C4' energy: -103.944
flat angles C4'-P-C4' energy: -93.881
flat angles P-C4'-P energy: -80.642
tors. eta vs tors. theta energy: -76.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1279.086578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.086578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.086578 (E_RNA)
where:
Base-Base interactions energy: -822.131
where: short stacking energy: -397.952
Base-Backbone interact. energy: -5.881
local terms energy: -451.074917
where:
bonds (distance) C4'-P energy: -89.769
bonds (distance) P-C4' energy: -85.389
flat angles C4'-P-C4' energy: -103.517
flat angles P-C4'-P energy: -63.582
tors. eta vs tors. theta energy: -108.818
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: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1295.176112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.176112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.176112 (E_RNA)
where:
Base-Base interactions energy: -871.067
where: short stacking energy: -396.510
Base-Backbone interact. energy: -2.224
local terms energy: -421.885031
where:
bonds (distance) C4'-P energy: -90.128
bonds (distance) P-C4' energy: -79.991
flat angles C4'-P-C4' energy: -90.186
flat angles P-C4'-P energy: -63.498
tors. eta vs tors. theta energy: -98.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1188.109490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.109490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.109490 (E_RNA)
where:
Base-Base interactions energy: -770.945
where: short stacking energy: -379.388
Base-Backbone interact. energy: -2.654
local terms energy: -414.510167
where:
bonds (distance) C4'-P energy: -76.853
bonds (distance) P-C4' energy: -85.411
flat angles C4'-P-C4' energy: -86.656
flat angles P-C4'-P energy: -55.665
tors. eta vs tors. theta energy: -109.925
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: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1145.401272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.401272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.401272 (E_RNA)
where:
Base-Base interactions energy: -741.077
where: short stacking energy: -353.690
Base-Backbone interact. energy: -0.289
local terms energy: -404.035216
where:
bonds (distance) C4'-P energy: -69.745
bonds (distance) P-C4' energy: -95.630
flat angles C4'-P-C4' energy: -90.053
flat angles P-C4'-P energy: -53.428
tors. eta vs tors. theta energy: -95.178
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: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1030.242755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.242755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.242755 (E_RNA)
where:
Base-Base interactions energy: -654.515
where: short stacking energy: -314.428
Base-Backbone interact. energy: -4.769
local terms energy: -370.959288
where:
bonds (distance) C4'-P energy: -77.534
bonds (distance) P-C4' energy: -78.263
flat angles C4'-P-C4' energy: -87.588
flat angles P-C4'-P energy: -53.082
tors. eta vs tors. theta energy: -74.492
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: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -862.278255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.278255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.278255 (E_RNA)
where:
Base-Base interactions energy: -538.311
where: short stacking energy: -250.934
Base-Backbone interact. energy: 1.269
local terms energy: -325.236169
where:
bonds (distance) C4'-P energy: -70.171
bonds (distance) P-C4' energy: -75.574
flat angles C4'-P-C4' energy: -75.105
flat angles P-C4'-P energy: -57.676
tors. eta vs tors. theta energy: -46.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -767.211863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.211863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.211863 (E_RNA)
where:
Base-Base interactions energy: -467.849
where: short stacking energy: -214.536
Base-Backbone interact. energy: -1.683
local terms energy: -297.679815
where:
bonds (distance) C4'-P energy: -76.326
bonds (distance) P-C4' energy: -84.969
flat angles C4'-P-C4' energy: -67.731
flat angles P-C4'-P energy: -43.745
tors. eta vs tors. theta energy: -24.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -686.765616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.765616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.765616 (E_RNA)
where:
Base-Base interactions energy: -390.028
where: short stacking energy: -210.538
Base-Backbone interact. energy: -0.835
local terms energy: -295.902688
where:
bonds (distance) C4'-P energy: -84.704
bonds (distance) P-C4' energy: -70.367
flat angles C4'-P-C4' energy: -79.588
flat angles P-C4'-P energy: -45.239
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -471.477848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.477848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.477848 (E_RNA)
where:
Base-Base interactions energy: -232.342
where: short stacking energy: -153.935
Base-Backbone interact. energy: 2.787
local terms energy: -241.922987
where:
bonds (distance) C4'-P energy: -68.556
bonds (distance) P-C4' energy: -67.227
flat angles C4'-P-C4' energy: -55.817
flat angles P-C4'-P energy: -42.271
tors. eta vs tors. theta energy: -8.052
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: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1381.259901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.259901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.259901 (E_RNA)
where:
Base-Base interactions energy: -922.605
where: short stacking energy: -405.507
Base-Backbone interact. energy: -1.312
local terms energy: -457.342550
where:
bonds (distance) C4'-P energy: -98.625
bonds (distance) P-C4' energy: -94.303
flat angles C4'-P-C4' energy: -100.774
flat angles P-C4'-P energy: -66.765
tors. eta vs tors. theta energy: -96.876
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: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1366.074769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.074769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.074769 (E_RNA)
where:
Base-Base interactions energy: -929.191
where: short stacking energy: -418.584
Base-Backbone interact. energy: -1.644
local terms energy: -435.239265
where:
bonds (distance) C4'-P energy: -72.541
bonds (distance) P-C4' energy: -88.886
flat angles C4'-P-C4' energy: -100.035
flat angles P-C4'-P energy: -67.292
tors. eta vs tors. theta energy: -106.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1243.228794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.228794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.228794 (E_RNA)
where:
Base-Base interactions energy: -805.085
where: short stacking energy: -402.058
Base-Backbone interact. energy: -1.432
local terms energy: -436.711686
where:
bonds (distance) C4'-P energy: -86.034
bonds (distance) P-C4' energy: -88.235
flat angles C4'-P-C4' energy: -96.336
flat angles P-C4'-P energy: -66.906
tors. eta vs tors. theta energy: -99.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1164.338955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.338955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.338955 (E_RNA)
where:
Base-Base interactions energy: -747.647
where: short stacking energy: -374.408
Base-Backbone interact. energy: -1.268
local terms energy: -415.424708
where:
bonds (distance) C4'-P energy: -80.952
bonds (distance) P-C4' energy: -71.872
flat angles C4'-P-C4' energy: -94.835
flat angles P-C4'-P energy: -67.407
tors. eta vs tors. theta energy: -100.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1145.091784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.091784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.091784 (E_RNA)
where:
Base-Base interactions energy: -745.714
where: short stacking energy: -358.659
Base-Backbone interact. energy: -2.239
local terms energy: -397.139056
where:
bonds (distance) C4'-P energy: -77.039
bonds (distance) P-C4' energy: -97.358
flat angles C4'-P-C4' energy: -73.564
flat angles P-C4'-P energy: -56.312
tors. eta vs tors. theta energy: -92.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -987.804501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.804501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.804501 (E_RNA)
where:
Base-Base interactions energy: -629.043
where: short stacking energy: -297.764
Base-Backbone interact. energy: -0.268
local terms energy: -358.493152
where:
bonds (distance) C4'-P energy: -73.660
bonds (distance) P-C4' energy: -77.946
flat angles C4'-P-C4' energy: -80.746
flat angles P-C4'-P energy: -55.770
tors. eta vs tors. theta energy: -70.372
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: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -895.693601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.693601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.693601 (E_RNA)
where:
Base-Base interactions energy: -554.825
where: short stacking energy: -269.027
Base-Backbone interact. energy: -3.038
local terms energy: -337.830783
where:
bonds (distance) C4'-P energy: -73.522
bonds (distance) P-C4' energy: -75.608
flat angles C4'-P-C4' energy: -77.355
flat angles P-C4'-P energy: -62.784
tors. eta vs tors. theta energy: -48.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -833.898494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.898494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.898494 (E_RNA)
where:
Base-Base interactions energy: -510.964
where: short stacking energy: -247.677
Base-Backbone interact. energy: -1.558
local terms energy: -321.376800
where:
bonds (distance) C4'-P energy: -79.378
bonds (distance) P-C4' energy: -85.909
flat angles C4'-P-C4' energy: -81.894
flat angles P-C4'-P energy: -42.580
tors. eta vs tors. theta energy: -31.614
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: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -699.479141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.479141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.479141 (E_RNA)
where:
Base-Base interactions energy: -385.384
where: short stacking energy: -205.326
Base-Backbone interact. energy: 1.812
local terms energy: -315.907523
where:
bonds (distance) C4'-P energy: -73.519
bonds (distance) P-C4' energy: -80.901
flat angles C4'-P-C4' energy: -73.749
flat angles P-C4'-P energy: -41.650
tors. eta vs tors. theta energy: -46.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -460.989249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.989249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.989249 (E_RNA)
where:
Base-Base interactions energy: -202.597
where: short stacking energy: -126.278
Base-Backbone interact. energy: 3.214
local terms energy: -261.606329
where:
bonds (distance) C4'-P energy: -87.053
bonds (distance) P-C4' energy: -81.478
flat angles C4'-P-C4' energy: -57.193
flat angles P-C4'-P energy: -44.276
tors. eta vs tors. theta energy: 8.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1384.703350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.703350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.703350 (E_RNA)
where:
Base-Base interactions energy: -939.836
where: short stacking energy: -401.850
Base-Backbone interact. energy: -1.199
local terms energy: -443.668264
where:
bonds (distance) C4'-P energy: -81.199
bonds (distance) P-C4' energy: -90.102
flat angles C4'-P-C4' energy: -101.470
flat angles P-C4'-P energy: -69.287
tors. eta vs tors. theta energy: -101.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1376.696588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.696588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.696588 (E_RNA)
where:
Base-Base interactions energy: -938.580
where: short stacking energy: -402.464
Base-Backbone interact. energy: -0.173
local terms energy: -437.943162
where:
bonds (distance) C4'-P energy: -86.886
bonds (distance) P-C4' energy: -85.771
flat angles C4'-P-C4' energy: -96.290
flat angles P-C4'-P energy: -67.783
tors. eta vs tors. theta energy: -101.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1199.217706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.217706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.217706 (E_RNA)
where:
Base-Base interactions energy: -773.099
where: short stacking energy: -367.915
Base-Backbone interact. energy: 0.577
local terms energy: -426.695759
where:
bonds (distance) C4'-P energy: -90.837
bonds (distance) P-C4' energy: -88.950
flat angles C4'-P-C4' energy: -98.324
flat angles P-C4'-P energy: -57.610
tors. eta vs tors. theta energy: -90.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1206.914630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.914630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.914630 (E_RNA)
where:
Base-Base interactions energy: -788.935
where: short stacking energy: -346.062
Base-Backbone interact. energy: -3.127
local terms energy: -414.852200
where:
bonds (distance) C4'-P energy: -86.706
bonds (distance) P-C4' energy: -91.338
flat angles C4'-P-C4' energy: -93.473
flat angles P-C4'-P energy: -60.489
tors. eta vs tors. theta energy: -82.846
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: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1137.256152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.256152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.256152 (E_RNA)
where:
Base-Base interactions energy: -760.185
where: short stacking energy: -358.178
Base-Backbone interact. energy: -0.725
local terms energy: -376.346624
where:
bonds (distance) C4'-P energy: -70.329
bonds (distance) P-C4' energy: -81.979
flat angles C4'-P-C4' energy: -94.598
flat angles P-C4'-P energy: -51.062
tors. eta vs tors. theta energy: -78.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1012.148640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.148640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.148640 (E_RNA)
where:
Base-Base interactions energy: -646.416
where: short stacking energy: -311.095
Base-Backbone interact. energy: -0.925
local terms energy: -364.807628
where:
bonds (distance) C4'-P energy: -80.804
bonds (distance) P-C4' energy: -78.835
flat angles C4'-P-C4' energy: -88.581
flat angles P-C4'-P energy: -49.845
tors. eta vs tors. theta energy: -66.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -952.997567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.997567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.997567 (E_RNA)
where:
Base-Base interactions energy: -616.834
where: short stacking energy: -288.997
Base-Backbone interact. energy: -2.620
local terms energy: -333.544118
where:
bonds (distance) C4'-P energy: -64.593
bonds (distance) P-C4' energy: -81.361
flat angles C4'-P-C4' energy: -76.368
flat angles P-C4'-P energy: -57.562
tors. eta vs tors. theta energy: -53.659
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: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -817.814958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.814958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.814958 (E_RNA)
where:
Base-Base interactions energy: -525.208
where: short stacking energy: -261.757
Base-Backbone interact. energy: 8.087
local terms energy: -300.694058
where:
bonds (distance) C4'-P energy: -76.824
bonds (distance) P-C4' energy: -64.942
flat angles C4'-P-C4' energy: -72.707
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -39.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -685.557323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.557323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.557323 (E_RNA)
where:
Base-Base interactions energy: -402.713
where: short stacking energy: -189.880
Base-Backbone interact. energy: -2.207
local terms energy: -280.637501
where:
bonds (distance) C4'-P energy: -72.914
bonds (distance) P-C4' energy: -80.879
flat angles C4'-P-C4' energy: -67.101
flat angles P-C4'-P energy: -38.029
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -469.706065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.706065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.706065 (E_RNA)
where:
Base-Base interactions energy: -226.730
where: short stacking energy: -142.029
Base-Backbone interact. energy: -0.687
local terms energy: -242.289276
where:
bonds (distance) C4'-P energy: -57.272
bonds (distance) P-C4' energy: -82.873
flat angles C4'-P-C4' energy: -59.533
flat angles P-C4'-P energy: -38.928
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1413.462465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.462465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.462465 (E_RNA)
where:
Base-Base interactions energy: -955.046
where: short stacking energy: -413.502
Base-Backbone interact. energy: -2.530
local terms energy: -455.886628
where:
bonds (distance) C4'-P energy: -97.366
bonds (distance) P-C4' energy: -82.077
flat angles C4'-P-C4' energy: -97.405
flat angles P-C4'-P energy: -61.414
tors. eta vs tors. theta energy: -117.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1375.770671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.770671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.770671 (E_RNA)
where:
Base-Base interactions energy: -925.146
where: short stacking energy: -403.930
Base-Backbone interact. energy: -1.116
local terms energy: -449.508737
where:
bonds (distance) C4'-P energy: -81.289
bonds (distance) P-C4' energy: -94.384
flat angles C4'-P-C4' energy: -93.894
flat angles P-C4'-P energy: -66.997
tors. eta vs tors. theta energy: -112.945
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: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1206.189167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.189167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.189167 (E_RNA)
where:
Base-Base interactions energy: -771.297
where: short stacking energy: -378.368
Base-Backbone interact. energy: 4.399
local terms energy: -439.291666
where:
bonds (distance) C4'-P energy: -92.397
bonds (distance) P-C4' energy: -87.898
flat angles C4'-P-C4' energy: -89.565
flat angles P-C4'-P energy: -66.340
tors. eta vs tors. theta energy: -103.092
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: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1178.000066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.000066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.000066 (E_RNA)
where:
Base-Base interactions energy: -768.108
where: short stacking energy: -360.261
Base-Backbone interact. energy: -1.657
local terms energy: -408.234971
where:
bonds (distance) C4'-P energy: -80.010
bonds (distance) P-C4' energy: -97.195
flat angles C4'-P-C4' energy: -91.588
flat angles P-C4'-P energy: -56.151
tors. eta vs tors. theta energy: -83.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1135.605464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.605464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.605464 (E_RNA)
where:
Base-Base interactions energy: -732.531
where: short stacking energy: -351.016
Base-Backbone interact. energy: -0.278
local terms energy: -402.796273
where:
bonds (distance) C4'-P energy: -75.672
bonds (distance) P-C4' energy: -92.123
flat angles C4'-P-C4' energy: -91.289
flat angles P-C4'-P energy: -52.563
tors. eta vs tors. theta energy: -91.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -982.329371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.329371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.329371 (E_RNA)
where:
Base-Base interactions energy: -636.406
where: short stacking energy: -282.050
Base-Backbone interact. energy: -3.858
local terms energy: -342.065379
where:
bonds (distance) C4'-P energy: -76.036
bonds (distance) P-C4' energy: -87.431
flat angles C4'-P-C4' energy: -95.937
flat angles P-C4'-P energy: -37.677
tors. eta vs tors. theta energy: -44.985
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: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -950.588529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.588529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.588529 (E_RNA)
where:
Base-Base interactions energy: -610.475
where: short stacking energy: -293.299
Base-Backbone interact. energy: 2.617
local terms energy: -342.729961
where:
bonds (distance) C4'-P energy: -78.227
bonds (distance) P-C4' energy: -79.978
flat angles C4'-P-C4' energy: -69.266
flat angles P-C4'-P energy: -54.462
tors. eta vs tors. theta energy: -60.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -765.683331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.683331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.683331 (E_RNA)
where:
Base-Base interactions energy: -473.525
where: short stacking energy: -225.814
Base-Backbone interact. energy: -0.178
local terms energy: -291.981053
where:
bonds (distance) C4'-P energy: -66.318
bonds (distance) P-C4' energy: -87.793
flat angles C4'-P-C4' energy: -67.489
flat angles P-C4'-P energy: -54.503
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -667.290209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.290209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.290209 (E_RNA)
where:
Base-Base interactions energy: -395.238
where: short stacking energy: -183.809
Base-Backbone interact. energy: -1.025
local terms energy: -271.027152
where:
bonds (distance) C4'-P energy: -63.632
bonds (distance) P-C4' energy: -86.578
flat angles C4'-P-C4' energy: -74.611
flat angles P-C4'-P energy: -34.094
tors. eta vs tors. theta energy: -12.112
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: 33
Temperature: 1.350000
Total energy: -483.423495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.423495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.423495 (E_RNA)
where:
Base-Base interactions energy: -240.659
where: short stacking energy: -141.641
Base-Backbone interact. energy: -0.442
local terms energy: -242.322188
where:
bonds (distance) C4'-P energy: -63.211
bonds (distance) P-C4' energy: -73.605
flat angles C4'-P-C4' energy: -54.003
flat angles P-C4'-P energy: -52.213
tors. eta vs tors. theta energy: 0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1462.558051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.558051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.558051 (E_RNA)
where:
Base-Base interactions energy: -992.307
where: short stacking energy: -446.967
Base-Backbone interact. energy: -1.264
local terms energy: -468.987006
where:
bonds (distance) C4'-P energy: -83.940
bonds (distance) P-C4' energy: -99.737
flat angles C4'-P-C4' energy: -104.794
flat angles P-C4'-P energy: -66.304
tors. eta vs tors. theta energy: -114.212
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: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1352.283270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.283270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.283270 (E_RNA)
where:
Base-Base interactions energy: -909.977
where: short stacking energy: -419.087
Base-Backbone interact. energy: -2.276
local terms energy: -440.030385
where:
bonds (distance) C4'-P energy: -86.419
bonds (distance) P-C4' energy: -83.833
flat angles C4'-P-C4' energy: -92.389
flat angles P-C4'-P energy: -64.773
tors. eta vs tors. theta energy: -112.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1241.673620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.673620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.673620 (E_RNA)
where:
Base-Base interactions energy: -811.181
where: short stacking energy: -398.569
Base-Backbone interact. energy: -4.496
local terms energy: -425.996849
where:
bonds (distance) C4'-P energy: -89.540
bonds (distance) P-C4' energy: -85.756
flat angles C4'-P-C4' energy: -86.258
flat angles P-C4'-P energy: -64.170
tors. eta vs tors. theta energy: -100.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1168.111869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.111869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.111869 (E_RNA)
where:
Base-Base interactions energy: -752.946
where: short stacking energy: -351.070
Base-Backbone interact. energy: -1.135
local terms energy: -414.030995
where:
bonds (distance) C4'-P energy: -88.117
bonds (distance) P-C4' energy: -77.879
flat angles C4'-P-C4' energy: -97.933
flat angles P-C4'-P energy: -64.150
tors. eta vs tors. theta energy: -85.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1111.539082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.539082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.539082 (E_RNA)
where:
Base-Base interactions energy: -695.818
where: short stacking energy: -325.559
Base-Backbone interact. energy: -1.781
local terms energy: -413.940933
where:
bonds (distance) C4'-P energy: -93.366
bonds (distance) P-C4' energy: -90.532
flat angles C4'-P-C4' energy: -85.438
flat angles P-C4'-P energy: -63.187
tors. eta vs tors. theta energy: -81.418
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: 34
Temperature: 1.150000
Total energy: -996.591182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.591182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.591182 (E_RNA)
where:
Base-Base interactions energy: -638.610
where: short stacking energy: -292.819
Base-Backbone interact. energy: 0.310
local terms energy: -358.291514
where:
bonds (distance) C4'-P energy: -80.254
bonds (distance) P-C4' energy: -91.727
flat angles C4'-P-C4' energy: -91.669
flat angles P-C4'-P energy: -42.215
tors. eta vs tors. theta energy: -52.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -965.762530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.762530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.762530 (E_RNA)
where:
Base-Base interactions energy: -613.930
where: short stacking energy: -307.141
Base-Backbone interact. energy: -0.914
local terms energy: -350.918666
where:
bonds (distance) C4'-P energy: -67.527
bonds (distance) P-C4' energy: -71.643
flat angles C4'-P-C4' energy: -91.094
flat angles P-C4'-P energy: -47.101
tors. eta vs tors. theta energy: -73.553
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: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -769.353353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.353353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.353353 (E_RNA)
where:
Base-Base interactions energy: -463.883
where: short stacking energy: -234.977
Base-Backbone interact. energy: -1.576
local terms energy: -303.894488
where:
bonds (distance) C4'-P energy: -73.024
bonds (distance) P-C4' energy: -76.576
flat angles C4'-P-C4' energy: -72.736
flat angles P-C4'-P energy: -34.850
tors. eta vs tors. theta energy: -46.709
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: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -671.875836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.875836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.875836 (E_RNA)
where:
Base-Base interactions energy: -396.670
where: short stacking energy: -186.422
Base-Backbone interact. energy: -3.741
local terms energy: -271.464811
where:
bonds (distance) C4'-P energy: -75.368
bonds (distance) P-C4' energy: -61.006
flat angles C4'-P-C4' energy: -73.320
flat angles P-C4'-P energy: -48.146
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -484.694381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.694381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.694381 (E_RNA)
where:
Base-Base interactions energy: -245.769
where: short stacking energy: -167.921
Base-Backbone interact. energy: -3.759
local terms energy: -235.165666
where:
bonds (distance) C4'-P energy: -66.826
bonds (distance) P-C4' energy: -83.981
flat angles C4'-P-C4' energy: -51.978
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: 3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1479.880515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.880515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.880515 (E_RNA)
where:
Base-Base interactions energy: -989.200
where: short stacking energy: -428.132
Base-Backbone interact. energy: -1.609
local terms energy: -489.071378
where:
bonds (distance) C4'-P energy: -89.278
bonds (distance) P-C4' energy: -96.679
flat angles C4'-P-C4' energy: -106.380
flat angles P-C4'-P energy: -79.971
tors. eta vs tors. theta energy: -116.763
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: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1377.027654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.027654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.027654 (E_RNA)
where:
Base-Base interactions energy: -917.057
where: short stacking energy: -414.466
Base-Backbone interact. energy: -1.893
local terms energy: -458.077760
where:
bonds (distance) C4'-P energy: -93.863
bonds (distance) P-C4' energy: -80.045
flat angles C4'-P-C4' energy: -91.395
flat angles P-C4'-P energy: -69.828
tors. eta vs tors. theta energy: -122.947
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: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1215.252785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.252785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.252785 (E_RNA)
where:
Base-Base interactions energy: -773.242
where: short stacking energy: -386.565
Base-Backbone interact. energy: -1.564
local terms energy: -440.447038
where:
bonds (distance) C4'-P energy: -86.271
bonds (distance) P-C4' energy: -101.147
flat angles C4'-P-C4' energy: -96.815
flat angles P-C4'-P energy: -59.766
tors. eta vs tors. theta energy: -96.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1159.540828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.540828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.540828 (E_RNA)
where:
Base-Base interactions energy: -743.963
where: short stacking energy: -352.912
Base-Backbone interact. energy: 0.334
local terms energy: -415.911504
where:
bonds (distance) C4'-P energy: -84.855
bonds (distance) P-C4' energy: -80.858
flat angles C4'-P-C4' energy: -102.587
flat angles P-C4'-P energy: -59.977
tors. eta vs tors. theta energy: -87.634
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: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1112.002094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.002094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.002094 (E_RNA)
where:
Base-Base interactions energy: -754.424
where: short stacking energy: -353.237
Base-Backbone interact. energy: -2.065
local terms energy: -355.513276
where:
bonds (distance) C4'-P energy: -71.390
bonds (distance) P-C4' energy: -83.991
flat angles C4'-P-C4' energy: -78.115
flat angles P-C4'-P energy: -51.298
tors. eta vs tors. theta energy: -70.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -982.622464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.622464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.622464 (E_RNA)
where:
Base-Base interactions energy: -620.472
where: short stacking energy: -297.838
Base-Backbone interact. energy: 0.622
local terms energy: -362.771885
where:
bonds (distance) C4'-P energy: -75.900
bonds (distance) P-C4' energy: -73.011
flat angles C4'-P-C4' energy: -92.701
flat angles P-C4'-P energy: -57.577
tors. eta vs tors. theta energy: -63.584
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: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -931.442097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.442097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.442097 (E_RNA)
where:
Base-Base interactions energy: -600.295
where: short stacking energy: -287.731
Base-Backbone interact. energy: -1.608
local terms energy: -329.538626
where:
bonds (distance) C4'-P energy: -72.305
bonds (distance) P-C4' energy: -72.810
flat angles C4'-P-C4' energy: -71.862
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -63.401
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: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -762.612702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.612702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.612702 (E_RNA)
where:
Base-Base interactions energy: -443.184
where: short stacking energy: -213.885
Base-Backbone interact. energy: 3.401
local terms energy: -322.829135
where:
bonds (distance) C4'-P energy: -63.728
bonds (distance) P-C4' energy: -85.953
flat angles C4'-P-C4' energy: -86.080
flat angles P-C4'-P energy: -50.927
tors. eta vs tors. theta energy: -36.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -644.060467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.060467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.060467 (E_RNA)
where:
Base-Base interactions energy: -341.096
where: short stacking energy: -165.972
Base-Backbone interact. energy: 0.534
local terms energy: -303.498279
where:
bonds (distance) C4'-P energy: -80.147
bonds (distance) P-C4' energy: -86.033
flat angles C4'-P-C4' energy: -69.128
flat angles P-C4'-P energy: -55.827
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -536.334128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.334128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.334128 (E_RNA)
where:
Base-Base interactions energy: -264.164
where: short stacking energy: -142.440
Base-Backbone interact. energy: -2.400
local terms energy: -269.770656
where:
bonds (distance) C4'-P energy: -66.165
bonds (distance) P-C4' energy: -83.373
flat angles C4'-P-C4' energy: -70.884
flat angles P-C4'-P energy: -52.614
tors. eta vs tors. theta energy: 3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1424.430476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.430476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.430476 (E_RNA)
where:
Base-Base interactions energy: -979.187
where: short stacking energy: -424.751
Base-Backbone interact. energy: -1.695
local terms energy: -443.548251
where:
bonds (distance) C4'-P energy: -95.004
bonds (distance) P-C4' energy: -85.403
flat angles C4'-P-C4' energy: -91.554
flat angles P-C4'-P energy: -59.303
tors. eta vs tors. theta energy: -112.284
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: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1374.059102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.059102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.059102 (E_RNA)
where:
Base-Base interactions energy: -917.591
where: short stacking energy: -402.014
Base-Backbone interact. energy: -0.716
local terms energy: -455.752676
where:
bonds (distance) C4'-P energy: -88.798
bonds (distance) P-C4' energy: -99.853
flat angles C4'-P-C4' energy: -93.213
flat angles P-C4'-P energy: -59.411
tors. eta vs tors. theta energy: -114.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1204.233505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.233505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.233505 (E_RNA)
where:
Base-Base interactions energy: -764.178
where: short stacking energy: -383.937
Base-Backbone interact. energy: 0.396
local terms energy: -440.451367
where:
bonds (distance) C4'-P energy: -77.533
bonds (distance) P-C4' energy: -92.526
flat angles C4'-P-C4' energy: -105.866
flat angles P-C4'-P energy: -56.794
tors. eta vs tors. theta energy: -107.733
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: 36
Temperature: 1.050000
Total energy: -1170.504115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.504115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.504115 (E_RNA)
where:
Base-Base interactions energy: -745.629
where: short stacking energy: -356.969
Base-Backbone interact. energy: -1.094
local terms energy: -423.781418
where:
bonds (distance) C4'-P energy: -91.815
bonds (distance) P-C4' energy: -93.887
flat angles C4'-P-C4' energy: -96.973
flat angles P-C4'-P energy: -48.037
tors. eta vs tors. theta energy: -93.069
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: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1109.354509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.354509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.354509 (E_RNA)
where:
Base-Base interactions energy: -726.103
where: short stacking energy: -327.586
Base-Backbone interact. energy: 0.056
local terms energy: -383.308126
where:
bonds (distance) C4'-P energy: -68.656
bonds (distance) P-C4' energy: -82.157
flat angles C4'-P-C4' energy: -89.743
flat angles P-C4'-P energy: -65.289
tors. eta vs tors. theta energy: -77.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -967.805273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.805273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.805273 (E_RNA)
where:
Base-Base interactions energy: -613.259
where: short stacking energy: -283.225
Base-Backbone interact. energy: 0.065
local terms energy: -354.610482
where:
bonds (distance) C4'-P energy: -64.815
bonds (distance) P-C4' energy: -87.439
flat angles C4'-P-C4' energy: -87.761
flat angles P-C4'-P energy: -57.452
tors. eta vs tors. theta energy: -57.143
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: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -956.817440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.817440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.817440 (E_RNA)
where:
Base-Base interactions energy: -611.533
where: short stacking energy: -296.431
Base-Backbone interact. energy: -2.820
local terms energy: -342.464443
where:
bonds (distance) C4'-P energy: -73.684
bonds (distance) P-C4' energy: -75.959
flat angles C4'-P-C4' energy: -74.896
flat angles P-C4'-P energy: -46.262
tors. eta vs tors. theta energy: -71.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -845.563167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.563167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.563167 (E_RNA)
where:
Base-Base interactions energy: -487.686
where: short stacking energy: -272.022
Base-Backbone interact. energy: -0.824
local terms energy: -357.052751
where:
bonds (distance) C4'-P energy: -77.060
bonds (distance) P-C4' energy: -87.538
flat angles C4'-P-C4' energy: -82.896
flat angles P-C4'-P energy: -42.555
tors. eta vs tors. theta energy: -67.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -644.691393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.691393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.691393 (E_RNA)
where:
Base-Base interactions energy: -345.585
where: short stacking energy: -186.839
Base-Backbone interact. energy: -0.908
local terms energy: -298.198237
where:
bonds (distance) C4'-P energy: -72.701
bonds (distance) P-C4' energy: -82.477
flat angles C4'-P-C4' energy: -82.389
flat angles P-C4'-P energy: -39.048
tors. eta vs tors. theta energy: -21.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -525.672797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.672797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.672797 (E_RNA)
where:
Base-Base interactions energy: -282.497
where: short stacking energy: -128.971
Base-Backbone interact. energy: -0.175
local terms energy: -243.001535
where:
bonds (distance) C4'-P energy: -70.727
bonds (distance) P-C4' energy: -76.902
flat angles C4'-P-C4' energy: -60.436
flat angles P-C4'-P energy: -46.516
tors. eta vs tors. theta energy: 11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1454.824931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.824931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.824931 (E_RNA)
where:
Base-Base interactions energy: -999.008
where: short stacking energy: -438.516
Base-Backbone interact. energy: 0.401
local terms energy: -456.218619
where:
bonds (distance) C4'-P energy: -93.413
bonds (distance) P-C4' energy: -88.481
flat angles C4'-P-C4' energy: -97.617
flat angles P-C4'-P energy: -69.412
tors. eta vs tors. theta energy: -107.296
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: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1407.685061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.685061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.685061 (E_RNA)
where:
Base-Base interactions energy: -966.710
where: short stacking energy: -422.689
Base-Backbone interact. energy: -0.503
local terms energy: -440.472014
where:
bonds (distance) C4'-P energy: -81.943
bonds (distance) P-C4' energy: -92.726
flat angles C4'-P-C4' energy: -91.241
flat angles P-C4'-P energy: -60.971
tors. eta vs tors. theta energy: -113.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1179.782647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.782647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.782647 (E_RNA)
where:
Base-Base interactions energy: -739.563
where: short stacking energy: -393.523
Base-Backbone interact. energy: -1.548
local terms energy: -438.671993
where:
bonds (distance) C4'-P energy: -83.956
bonds (distance) P-C4' energy: -93.108
flat angles C4'-P-C4' energy: -92.719
flat angles P-C4'-P energy: -65.032
tors. eta vs tors. theta energy: -103.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1178.088705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.088705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.088705 (E_RNA)
where:
Base-Base interactions energy: -778.454
where: short stacking energy: -375.342
Base-Backbone interact. energy: -1.927
local terms energy: -397.708400
where:
bonds (distance) C4'-P energy: -81.875
bonds (distance) P-C4' energy: -83.105
flat angles C4'-P-C4' energy: -91.992
flat angles P-C4'-P energy: -54.795
tors. eta vs tors. theta energy: -85.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1136.981321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.981321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.981321 (E_RNA)
where:
Base-Base interactions energy: -725.935
where: short stacking energy: -354.691
Base-Backbone interact. energy: -2.881
local terms energy: -408.165606
where:
bonds (distance) C4'-P energy: -80.395
bonds (distance) P-C4' energy: -76.620
flat angles C4'-P-C4' energy: -100.154
flat angles P-C4'-P energy: -51.071
tors. eta vs tors. theta energy: -99.926
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: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -954.248592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.248592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.248592 (E_RNA)
where:
Base-Base interactions energy: -596.481
where: short stacking energy: -279.939
Base-Backbone interact. energy: 1.083
local terms energy: -358.849988
where:
bonds (distance) C4'-P energy: -74.366
bonds (distance) P-C4' energy: -86.547
flat angles C4'-P-C4' energy: -85.502
flat angles P-C4'-P energy: -59.383
tors. eta vs tors. theta energy: -53.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -914.368753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.368753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.368753 (E_RNA)
where:
Base-Base interactions energy: -591.012
where: short stacking energy: -265.936
Base-Backbone interact. energy: 1.539
local terms energy: -324.895819
where:
bonds (distance) C4'-P energy: -72.293
bonds (distance) P-C4' energy: -72.726
flat angles C4'-P-C4' energy: -81.250
flat angles P-C4'-P energy: -55.040
tors. eta vs tors. theta energy: -43.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -815.888972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.888972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.888972 (E_RNA)
where:
Base-Base interactions energy: -493.320
where: short stacking energy: -248.592
Base-Backbone interact. energy: -1.709
local terms energy: -320.860195
where:
bonds (distance) C4'-P energy: -87.934
bonds (distance) P-C4' energy: -78.213
flat angles C4'-P-C4' energy: -82.432
flat angles P-C4'-P energy: -30.598
tors. eta vs tors. theta energy: -41.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -617.523624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.523624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.523624 (E_RNA)
where:
Base-Base interactions energy: -343.605
where: short stacking energy: -195.217
Base-Backbone interact. energy: -0.779
local terms energy: -273.139424
where:
bonds (distance) C4'-P energy: -73.067
bonds (distance) P-C4' energy: -69.677
flat angles C4'-P-C4' energy: -70.772
flat angles P-C4'-P energy: -36.049
tors. eta vs tors. theta energy: -23.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -520.400072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.400072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.400072 (E_RNA)
where:
Base-Base interactions energy: -263.219
where: short stacking energy: -149.758
Base-Backbone interact. energy: 3.957
local terms energy: -261.138949
where:
bonds (distance) C4'-P energy: -69.357
bonds (distance) P-C4' energy: -70.101
flat angles C4'-P-C4' energy: -73.655
flat angles P-C4'-P energy: -46.963
tors. eta vs tors. theta energy: -1.062
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: 38
Temperature: 0.900000
Total energy: -1452.432127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.432127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.432127 (E_RNA)
where:
Base-Base interactions energy: -981.970
where: short stacking energy: -417.173
Base-Backbone interact. energy: -0.756
local terms energy: -469.706273
where:
bonds (distance) C4'-P energy: -100.290
bonds (distance) P-C4' energy: -98.472
flat angles C4'-P-C4' energy: -94.241
flat angles P-C4'-P energy: -69.736
tors. eta vs tors. theta energy: -106.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1402.634043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.634043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.634043 (E_RNA)
where:
Base-Base interactions energy: -953.820
where: short stacking energy: -426.888
Base-Backbone interact. energy: 0.184
local terms energy: -448.997580
where:
bonds (distance) C4'-P energy: -86.400
bonds (distance) P-C4' energy: -84.596
flat angles C4'-P-C4' energy: -102.189
flat angles P-C4'-P energy: -69.207
tors. eta vs tors. theta energy: -106.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1196.863292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.863292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.863292 (E_RNA)
where:
Base-Base interactions energy: -756.793
where: short stacking energy: -381.160
Base-Backbone interact. energy: -2.383
local terms energy: -437.686527
where:
bonds (distance) C4'-P energy: -85.572
bonds (distance) P-C4' energy: -96.371
flat angles C4'-P-C4' energy: -87.697
flat angles P-C4'-P energy: -72.774
tors. eta vs tors. theta energy: -95.273
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: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1207.538757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.538757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.538757 (E_RNA)
where:
Base-Base interactions energy: -792.251
where: short stacking energy: -377.157
Base-Backbone interact. energy: -1.205
local terms energy: -414.082577
where:
bonds (distance) C4'-P energy: -82.488
bonds (distance) P-C4' energy: -97.795
flat angles C4'-P-C4' energy: -83.295
flat angles P-C4'-P energy: -67.637
tors. eta vs tors. theta energy: -82.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1098.583024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.583024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.583024 (E_RNA)
where:
Base-Base interactions energy: -706.937
where: short stacking energy: -330.841
Base-Backbone interact. energy: -0.340
local terms energy: -391.306380
where:
bonds (distance) C4'-P energy: -76.202
bonds (distance) P-C4' energy: -79.603
flat angles C4'-P-C4' energy: -92.876
flat angles P-C4'-P energy: -59.244
tors. eta vs tors. theta energy: -83.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -988.601188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.601188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.601188 (E_RNA)
where:
Base-Base interactions energy: -640.911
where: short stacking energy: -312.354
Base-Backbone interact. energy: 1.403
local terms energy: -349.093584
where:
bonds (distance) C4'-P energy: -81.367
bonds (distance) P-C4' energy: -92.228
flat angles C4'-P-C4' energy: -80.701
flat angles P-C4'-P energy: -36.778
tors. eta vs tors. theta energy: -58.019
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: 38
Temperature: 1.200000
Total energy: -930.142523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.142523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.142523 (E_RNA)
where:
Base-Base interactions energy: -580.580
where: short stacking energy: -252.600
Base-Backbone interact. energy: -0.234
local terms energy: -349.328707
where:
bonds (distance) C4'-P energy: -78.950
bonds (distance) P-C4' energy: -91.457
flat angles C4'-P-C4' energy: -92.843
flat angles P-C4'-P energy: -42.894
tors. eta vs tors. theta energy: -43.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -825.521156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.521156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.521156 (E_RNA)
where:
Base-Base interactions energy: -503.186
where: short stacking energy: -257.405
Base-Backbone interact. energy: 0.132
local terms energy: -322.467327
where:
bonds (distance) C4'-P energy: -64.401
bonds (distance) P-C4' energy: -83.607
flat angles C4'-P-C4' energy: -79.301
flat angles P-C4'-P energy: -41.638
tors. eta vs tors. theta energy: -53.520
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: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -668.565996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.565996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.565996 (E_RNA)
where:
Base-Base interactions energy: -360.890
where: short stacking energy: -206.886
Base-Backbone interact. energy: 0.919
local terms energy: -308.595412
where:
bonds (distance) C4'-P energy: -73.030
bonds (distance) P-C4' energy: -78.585
flat angles C4'-P-C4' energy: -74.212
flat angles P-C4'-P energy: -51.682
tors. eta vs tors. theta energy: -31.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -527.035553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.035553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.035553 (E_RNA)
where:
Base-Base interactions energy: -261.246
where: short stacking energy: -173.094
Base-Backbone interact. energy: 2.677
local terms energy: -268.466581
where:
bonds (distance) C4'-P energy: -74.418
bonds (distance) P-C4' energy: -81.692
flat angles C4'-P-C4' energy: -80.497
flat angles P-C4'-P energy: -31.369
tors. eta vs tors. theta energy: -0.490
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: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1473.437377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.437377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.437377 (E_RNA)
where:
Base-Base interactions energy: -1017.134
where: short stacking energy: -423.174
Base-Backbone interact. energy: -3.456
local terms energy: -452.847377
where:
bonds (distance) C4'-P energy: -88.369
bonds (distance) P-C4' energy: -86.593
flat angles C4'-P-C4' energy: -106.024
flat angles P-C4'-P energy: -60.938
tors. eta vs tors. theta energy: -110.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1436.735398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.735398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.735398 (E_RNA)
where:
Base-Base interactions energy: -979.656
where: short stacking energy: -445.565
Base-Backbone interact. energy: -1.631
local terms energy: -455.448292
where:
bonds (distance) C4'-P energy: -90.703
bonds (distance) P-C4' energy: -85.166
flat angles C4'-P-C4' energy: -99.941
flat angles P-C4'-P energy: -56.792
tors. eta vs tors. theta energy: -122.846
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: 10
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1168.432040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.432040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.432040 (E_RNA)
where:
Base-Base interactions energy: -757.104
where: short stacking energy: -370.884
Base-Backbone interact. energy: 3.124
local terms energy: -414.452117
where:
bonds (distance) C4'-P energy: -81.754
bonds (distance) P-C4' energy: -94.552
flat angles C4'-P-C4' energy: -89.719
flat angles P-C4'-P energy: -63.519
tors. eta vs tors. theta energy: -84.908
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: 4, replica: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1196.036953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.036953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.036953 (E_RNA)
where:
Base-Base interactions energy: -791.368
where: short stacking energy: -335.764
Base-Backbone interact. energy: -3.643
local terms energy: -401.025292
where:
bonds (distance) C4'-P energy: -82.721
bonds (distance) P-C4' energy: -90.648
flat angles C4'-P-C4' energy: -92.249
flat angles P-C4'-P energy: -58.791
tors. eta vs tors. theta energy: -76.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1132.033842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.033842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.033842 (E_RNA)
where:
Base-Base interactions energy: -716.728
where: short stacking energy: -330.238
Base-Backbone interact. energy: -0.588
local terms energy: -414.717913
where:
bonds (distance) C4'-P energy: -94.654
bonds (distance) P-C4' energy: -89.315
flat angles C4'-P-C4' energy: -99.797
flat angles P-C4'-P energy: -53.754
tors. eta vs tors. theta energy: -77.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -990.547500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.547500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.547500 (E_RNA)
where:
Base-Base interactions energy: -641.828
where: short stacking energy: -304.996
Base-Backbone interact. energy: -2.921
local terms energy: -345.798144
where:
bonds (distance) C4'-P energy: -72.809
bonds (distance) P-C4' energy: -89.861
flat angles C4'-P-C4' energy: -78.664
flat angles P-C4'-P energy: -47.106
tors. eta vs tors. theta energy: -57.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -918.463312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.463312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.463312 (E_RNA)
where:
Base-Base interactions energy: -563.632
where: short stacking energy: -253.425
Base-Backbone interact. energy: -1.545
local terms energy: -353.285990
where:
bonds (distance) C4'-P energy: -88.539
bonds (distance) P-C4' energy: -87.449
flat angles C4'-P-C4' energy: -89.950
flat angles P-C4'-P energy: -46.877
tors. eta vs tors. theta energy: -40.471
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: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -806.568276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.568276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.568276 (E_RNA)
where:
Base-Base interactions energy: -479.106
where: short stacking energy: -239.521
Base-Backbone interact. energy: 0.780
local terms energy: -328.242466
where:
bonds (distance) C4'-P energy: -65.525
bonds (distance) P-C4' energy: -83.165
flat angles C4'-P-C4' energy: -81.372
flat angles P-C4'-P energy: -54.381
tors. eta vs tors. theta energy: -43.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -657.541594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.541594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.541594 (E_RNA)
where:
Base-Base interactions energy: -358.417
where: short stacking energy: -208.721
Base-Backbone interact. energy: -0.319
local terms energy: -298.805747
where:
bonds (distance) C4'-P energy: -73.746
bonds (distance) P-C4' energy: -88.238
flat angles C4'-P-C4' energy: -59.716
flat angles P-C4'-P energy: -39.116
tors. eta vs tors. theta energy: -37.990
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: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -491.959311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.959311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.959311 (E_RNA)
where:
Base-Base interactions energy: -262.999
where: short stacking energy: -142.747
Base-Backbone interact. energy: -0.475
local terms energy: -228.485661
where:
bonds (distance) C4'-P energy: -73.908
bonds (distance) P-C4' energy: -55.820
flat angles C4'-P-C4' energy: -76.194
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: 18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1461.766385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.766385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.766385 (E_RNA)
where:
Base-Base interactions energy: -1009.402
where: short stacking energy: -450.029
Base-Backbone interact. energy: -2.215
local terms energy: -450.150156
where:
bonds (distance) C4'-P energy: -80.174
bonds (distance) P-C4' energy: -95.535
flat angles C4'-P-C4' energy: -105.571
flat angles P-C4'-P energy: -56.180
tors. eta vs tors. theta energy: -112.690
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: 40
Temperature: 0.950000
Total energy: -1406.493048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.493048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.493048 (E_RNA)
where:
Base-Base interactions energy: -964.498
where: short stacking energy: -423.834
Base-Backbone interact. energy: -2.464
local terms energy: -439.531160
where:
bonds (distance) C4'-P energy: -79.777
bonds (distance) P-C4' energy: -88.852
flat angles C4'-P-C4' energy: -104.847
flat angles P-C4'-P energy: -60.924
tors. eta vs tors. theta energy: -105.131
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: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1240.647525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.647525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.647525 (E_RNA)
where:
Base-Base interactions energy: -818.426
where: short stacking energy: -377.201
Base-Backbone interact. energy: 6.297
local terms energy: -428.518027
where:
bonds (distance) C4'-P energy: -92.492
bonds (distance) P-C4' energy: -88.164
flat angles C4'-P-C4' energy: -98.732
flat angles P-C4'-P energy: -58.979
tors. eta vs tors. theta energy: -90.152
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: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1137.633181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.633181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.633181 (E_RNA)
where:
Base-Base interactions energy: -717.146
where: short stacking energy: -358.168
Base-Backbone interact. energy: -1.579
local terms energy: -418.907977
where:
bonds (distance) C4'-P energy: -83.186
bonds (distance) P-C4' energy: -93.994
flat angles C4'-P-C4' energy: -92.688
flat angles P-C4'-P energy: -63.256
tors. eta vs tors. theta energy: -85.784
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: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1163.705406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.705406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.705406 (E_RNA)
where:
Base-Base interactions energy: -726.936
where: short stacking energy: -344.226
Base-Backbone interact. energy: -0.790
local terms energy: -435.979342
where:
bonds (distance) C4'-P energy: -74.875
bonds (distance) P-C4' energy: -92.387
flat angles C4'-P-C4' energy: -111.607
flat angles P-C4'-P energy: -61.293
tors. eta vs tors. theta energy: -95.818
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: 40
Temperature: 1.150000
Total energy: -962.458317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.458317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.458317 (E_RNA)
where:
Base-Base interactions energy: -629.351
where: short stacking energy: -296.981
Base-Backbone interact. energy: 1.231
local terms energy: -334.338511
where:
bonds (distance) C4'-P energy: -59.957
bonds (distance) P-C4' energy: -86.858
flat angles C4'-P-C4' energy: -73.942
flat angles P-C4'-P energy: -56.516
tors. eta vs tors. theta energy: -57.066
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: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -920.520723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.520723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.520723 (E_RNA)
where:
Base-Base interactions energy: -598.845
where: short stacking energy: -292.193
Base-Backbone interact. energy: 0.815
local terms energy: -322.490683
where:
bonds (distance) C4'-P energy: -71.706
bonds (distance) P-C4' energy: -85.450
flat angles C4'-P-C4' energy: -67.343
flat angles P-C4'-P energy: -41.526
tors. eta vs tors. theta energy: -56.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -753.916759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.916759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.916759 (E_RNA)
where:
Base-Base interactions energy: -445.124
where: short stacking energy: -227.610
Base-Backbone interact. energy: 3.189
local terms energy: -311.981522
where:
bonds (distance) C4'-P energy: -78.200
bonds (distance) P-C4' energy: -78.596
flat angles C4'-P-C4' energy: -78.401
flat angles P-C4'-P energy: -41.416
tors. eta vs tors. theta energy: -35.368
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: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -682.824192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.824192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.824192 (E_RNA)
where:
Base-Base interactions energy: -388.489
where: short stacking energy: -195.422
Base-Backbone interact. energy: 3.718
local terms energy: -298.052714
where:
bonds (distance) C4'-P energy: -77.918
bonds (distance) P-C4' energy: -82.066
flat angles C4'-P-C4' energy: -76.691
flat angles P-C4'-P energy: -41.291
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: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -479.238722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.238722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.238722 (E_RNA)
where:
Base-Base interactions energy: -212.681
where: short stacking energy: -123.094
Base-Backbone interact. energy: -3.729
local terms energy: -262.829160
where:
bonds (distance) C4'-P energy: -78.240
bonds (distance) P-C4' energy: -84.294
flat angles C4'-P-C4' energy: -70.806
flat angles P-C4'-P energy: -41.520
tors. eta vs tors. theta energy: 12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1468.712670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.712670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.712670 (E_RNA)
where:
Base-Base interactions energy: -1006.231
where: short stacking energy: -442.309
Base-Backbone interact. energy: 1.222
local terms energy: -463.703762
where:
bonds (distance) C4'-P energy: -93.533
bonds (distance) P-C4' energy: -94.584
flat angles C4'-P-C4' energy: -102.319
flat angles P-C4'-P energy: -65.083
tors. eta vs tors. theta energy: -108.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1398.760374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.760374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.760374 (E_RNA)
where:
Base-Base interactions energy: -958.486
where: short stacking energy: -413.347
Base-Backbone interact. energy: 1.387
local terms energy: -441.661950
where:
bonds (distance) C4'-P energy: -82.948
bonds (distance) P-C4' energy: -82.274
flat angles C4'-P-C4' energy: -98.137
flat angles P-C4'-P energy: -64.066
tors. eta vs tors. theta energy: -114.237
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: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1246.466882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.466882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.466882 (E_RNA)
where:
Base-Base interactions energy: -828.793
where: short stacking energy: -392.822
Base-Backbone interact. energy: -3.036
local terms energy: -414.637447
where:
bonds (distance) C4'-P energy: -78.949
bonds (distance) P-C4' energy: -86.042
flat angles C4'-P-C4' energy: -90.241
flat angles P-C4'-P energy: -59.510
tors. eta vs tors. theta energy: -99.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1192.333109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.333109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.333109 (E_RNA)
where:
Base-Base interactions energy: -797.482
where: short stacking energy: -360.413
Base-Backbone interact. energy: 0.664
local terms energy: -395.514754
where:
bonds (distance) C4'-P energy: -85.611
bonds (distance) P-C4' energy: -85.489
flat angles C4'-P-C4' energy: -90.464
flat angles P-C4'-P energy: -57.627
tors. eta vs tors. theta energy: -76.324
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: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1095.998357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.998357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.998357 (E_RNA)
where:
Base-Base interactions energy: -711.898
where: short stacking energy: -329.781
Base-Backbone interact. energy: 1.305
local terms energy: -385.404913
where:
bonds (distance) C4'-P energy: -90.358
bonds (distance) P-C4' energy: -88.457
flat angles C4'-P-C4' energy: -65.544
flat angles P-C4'-P energy: -64.116
tors. eta vs tors. theta energy: -76.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -995.153661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.153661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.153661 (E_RNA)
where:
Base-Base interactions energy: -652.685
where: short stacking energy: -302.366
Base-Backbone interact. energy: 0.187
local terms energy: -342.655177
where:
bonds (distance) C4'-P energy: -74.188
bonds (distance) P-C4' energy: -79.776
flat angles C4'-P-C4' energy: -75.765
flat angles P-C4'-P energy: -53.664
tors. eta vs tors. theta energy: -59.263
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: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -892.932983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.932983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.932983 (E_RNA)
where:
Base-Base interactions energy: -568.346
where: short stacking energy: -265.886
Base-Backbone interact. energy: 1.331
local terms energy: -325.918410
where:
bonds (distance) C4'-P energy: -92.054
bonds (distance) P-C4' energy: -68.526
flat angles C4'-P-C4' energy: -79.586
flat angles P-C4'-P energy: -32.969
tors. eta vs tors. theta energy: -52.783
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: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -786.065697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.065697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.065697 (E_RNA)
where:
Base-Base interactions energy: -474.562
where: short stacking energy: -223.051
Base-Backbone interact. energy: -3.337
local terms energy: -308.166816
where:
bonds (distance) C4'-P energy: -80.613
bonds (distance) P-C4' energy: -87.732
flat angles C4'-P-C4' energy: -72.603
flat angles P-C4'-P energy: -42.510
tors. eta vs tors. theta energy: -24.708
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: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -637.204164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.204164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.204164 (E_RNA)
where:
Base-Base interactions energy: -351.709
where: short stacking energy: -194.039
Base-Backbone interact. energy: 0.094
local terms energy: -285.589044
where:
bonds (distance) C4'-P energy: -56.763
bonds (distance) P-C4' energy: -88.068
flat angles C4'-P-C4' energy: -64.070
flat angles P-C4'-P energy: -52.536
tors. eta vs tors. theta energy: -24.152
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: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -495.500064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.500064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.500064 (E_RNA)
where:
Base-Base interactions energy: -233.587
where: short stacking energy: -144.078
Base-Backbone interact. energy: -1.686
local terms energy: -260.226895
where:
bonds (distance) C4'-P energy: -71.685
bonds (distance) P-C4' energy: -74.879
flat angles C4'-P-C4' energy: -71.636
flat angles P-C4'-P energy: -34.066
tors. eta vs tors. theta energy: -7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1454.949738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.949738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.949738 (E_RNA)
where:
Base-Base interactions energy: -1002.309
where: short stacking energy: -420.586
Base-Backbone interact. energy: 2.515
local terms energy: -455.155384
where:
bonds (distance) C4'-P energy: -98.709
bonds (distance) P-C4' energy: -91.309
flat angles C4'-P-C4' energy: -96.528
flat angles P-C4'-P energy: -67.918
tors. eta vs tors. theta energy: -100.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1415.951222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.951222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.951222 (E_RNA)
where:
Base-Base interactions energy: -941.889
where: short stacking energy: -428.491
Base-Backbone interact. energy: 0.907
local terms energy: -474.970134
where:
bonds (distance) C4'-P energy: -97.579
bonds (distance) P-C4' energy: -89.709
flat angles C4'-P-C4' energy: -98.413
flat angles P-C4'-P energy: -68.547
tors. eta vs tors. theta energy: -120.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1258.660644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.660644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.660644 (E_RNA)
where:
Base-Base interactions energy: -841.620
where: short stacking energy: -383.536
Base-Backbone interact. energy: -1.753
local terms energy: -415.288106
where:
bonds (distance) C4'-P energy: -83.817
bonds (distance) P-C4' energy: -92.971
flat angles C4'-P-C4' energy: -94.530
flat angles P-C4'-P energy: -50.815
tors. eta vs tors. theta energy: -93.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1207.767092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.767092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.767092 (E_RNA)
where:
Base-Base interactions energy: -813.700
where: short stacking energy: -362.051
Base-Backbone interact. energy: -1.410
local terms energy: -392.657277
where:
bonds (distance) C4'-P energy: -86.312
bonds (distance) P-C4' energy: -91.327
flat angles C4'-P-C4' energy: -88.108
flat angles P-C4'-P energy: -54.468
tors. eta vs tors. theta energy: -72.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1140.672228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.672228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.672228 (E_RNA)
where:
Base-Base interactions energy: -753.680
where: short stacking energy: -337.382
Base-Backbone interact. energy: 0.477
local terms energy: -387.469683
where:
bonds (distance) C4'-P energy: -79.250
bonds (distance) P-C4' energy: -76.937
flat angles C4'-P-C4' energy: -81.675
flat angles P-C4'-P energy: -66.674
tors. eta vs tors. theta energy: -82.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1030.781555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.781555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.781555 (E_RNA)
where:
Base-Base interactions energy: -650.847
where: short stacking energy: -323.213
Base-Backbone interact. energy: 0.930
local terms energy: -380.865006
where:
bonds (distance) C4'-P energy: -85.597
bonds (distance) P-C4' energy: -87.862
flat angles C4'-P-C4' energy: -82.521
flat angles P-C4'-P energy: -57.666
tors. eta vs tors. theta energy: -67.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -923.327260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.327260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.327260 (E_RNA)
where:
Base-Base interactions energy: -583.033
where: short stacking energy: -271.863
Base-Backbone interact. energy: -1.086
local terms energy: -339.208074
where:
bonds (distance) C4'-P energy: -67.174
bonds (distance) P-C4' energy: -88.061
flat angles C4'-P-C4' energy: -86.023
flat angles P-C4'-P energy: -39.469
tors. eta vs tors. theta energy: -58.480
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: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -801.535799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.535799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.535799 (E_RNA)
where:
Base-Base interactions energy: -465.268
where: short stacking energy: -229.115
Base-Backbone interact. energy: -2.459
local terms energy: -333.808101
where:
bonds (distance) C4'-P energy: -83.168
bonds (distance) P-C4' energy: -85.817
flat angles C4'-P-C4' energy: -84.308
flat angles P-C4'-P energy: -42.103
tors. eta vs tors. theta energy: -38.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -635.456087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.456087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.456087 (E_RNA)
where:
Base-Base interactions energy: -356.868
where: short stacking energy: -182.655
Base-Backbone interact. energy: -0.296
local terms energy: -278.292938
where:
bonds (distance) C4'-P energy: -61.670
bonds (distance) P-C4' energy: -89.206
flat angles C4'-P-C4' energy: -77.291
flat angles P-C4'-P energy: -33.816
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: 10, replica: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -470.969612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.969612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.969612 (E_RNA)
where:
Base-Base interactions energy: -207.688
where: short stacking energy: -123.236
Base-Backbone interact. energy: -0.805
local terms energy: -262.477003
where:
bonds (distance) C4'-P energy: -76.597
bonds (distance) P-C4' energy: -90.031
flat angles C4'-P-C4' energy: -65.331
flat angles P-C4'-P energy: -40.459
tors. eta vs tors. theta energy: 9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1489.706159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.706159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.706159 (E_RNA)
where:
Base-Base interactions energy: -1027.202
where: short stacking energy: -425.633
Base-Backbone interact. energy: -1.122
local terms energy: -461.383057
where:
bonds (distance) C4'-P energy: -87.468
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -99.225
flat angles P-C4'-P energy: -64.970
tors. eta vs tors. theta energy: -113.104
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: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1448.501956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.501956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.501956 (E_RNA)
where:
Base-Base interactions energy: -984.323
where: short stacking energy: -463.882
Base-Backbone interact. energy: 2.411
local terms energy: -466.589341
where:
bonds (distance) C4'-P energy: -89.999
bonds (distance) P-C4' energy: -95.748
flat angles C4'-P-C4' energy: -98.937
flat angles P-C4'-P energy: -60.672
tors. eta vs tors. theta energy: -121.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1240.198788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.198788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.198788 (E_RNA)
where:
Base-Base interactions energy: -817.616
where: short stacking energy: -396.101
Base-Backbone interact. energy: -2.631
local terms energy: -419.952602
where:
bonds (distance) C4'-P energy: -83.301
bonds (distance) P-C4' energy: -78.326
flat angles C4'-P-C4' energy: -99.334
flat angles P-C4'-P energy: -58.181
tors. eta vs tors. theta energy: -100.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1185.821151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.821151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.821151 (E_RNA)
where:
Base-Base interactions energy: -799.852
where: short stacking energy: -353.416
Base-Backbone interact. energy: -1.925
local terms energy: -384.044472
where:
bonds (distance) C4'-P energy: -68.149
bonds (distance) P-C4' energy: -85.631
flat angles C4'-P-C4' energy: -89.133
flat angles P-C4'-P energy: -56.929
tors. eta vs tors. theta energy: -84.202
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: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1171.725936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.725936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.725936 (E_RNA)
where:
Base-Base interactions energy: -783.911
where: short stacking energy: -360.467
Base-Backbone interact. energy: -4.401
local terms energy: -383.414061
where:
bonds (distance) C4'-P energy: -72.771
bonds (distance) P-C4' energy: -70.044
flat angles C4'-P-C4' energy: -78.689
flat angles P-C4'-P energy: -58.558
tors. eta vs tors. theta energy: -103.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -964.368943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.368943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.368943 (E_RNA)
where:
Base-Base interactions energy: -595.879
where: short stacking energy: -297.875
Base-Backbone interact. energy: -1.047
local terms energy: -367.442975
where:
bonds (distance) C4'-P energy: -90.198
bonds (distance) P-C4' energy: -91.127
flat angles C4'-P-C4' energy: -83.073
flat angles P-C4'-P energy: -45.967
tors. eta vs tors. theta energy: -57.078
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: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -986.368092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.368092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.368092 (E_RNA)
where:
Base-Base interactions energy: -648.573
where: short stacking energy: -302.895
Base-Backbone interact. energy: 1.514
local terms energy: -339.308178
where:
bonds (distance) C4'-P energy: -72.254
bonds (distance) P-C4' energy: -84.619
flat angles C4'-P-C4' energy: -83.538
flat angles P-C4'-P energy: -44.849
tors. eta vs tors. theta energy: -54.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -807.844455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.844455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.844455 (E_RNA)
where:
Base-Base interactions energy: -480.027
where: short stacking energy: -239.702
Base-Backbone interact. energy: 1.566
local terms energy: -329.383079
where:
bonds (distance) C4'-P energy: -67.494
bonds (distance) P-C4' energy: -88.362
flat angles C4'-P-C4' energy: -73.056
flat angles P-C4'-P energy: -58.442
tors. eta vs tors. theta energy: -42.029
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: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -629.930434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.930434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.930434 (E_RNA)
where:
Base-Base interactions energy: -342.606
where: short stacking energy: -182.947
Base-Backbone interact. energy: -0.899
local terms energy: -286.425258
where:
bonds (distance) C4'-P energy: -74.729
bonds (distance) P-C4' energy: -67.728
flat angles C4'-P-C4' energy: -81.424
flat angles P-C4'-P energy: -41.664
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -460.937559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.937559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.937559 (E_RNA)
where:
Base-Base interactions energy: -210.317
where: short stacking energy: -144.285
Base-Backbone interact. energy: 0.991
local terms energy: -251.610843
where:
bonds (distance) C4'-P energy: -75.194
bonds (distance) P-C4' energy: -72.912
flat angles C4'-P-C4' energy: -59.949
flat angles P-C4'-P energy: -41.128
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: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1518.201396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.201396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.201396 (E_RNA)
where:
Base-Base interactions energy: -1072.103
where: short stacking energy: -440.253
Base-Backbone interact. energy: -4.001
local terms energy: -442.097146
where:
bonds (distance) C4'-P energy: -89.501
bonds (distance) P-C4' energy: -87.319
flat angles C4'-P-C4' energy: -98.425
flat angles P-C4'-P energy: -54.769
tors. eta vs tors. theta energy: -112.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1450.917385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.917385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.917385 (E_RNA)
where:
Base-Base interactions energy: -998.498
where: short stacking energy: -431.027
Base-Backbone interact. energy: -0.436
local terms energy: -451.983434
where:
bonds (distance) C4'-P energy: -85.195
bonds (distance) P-C4' energy: -88.396
flat angles C4'-P-C4' energy: -95.781
flat angles P-C4'-P energy: -68.600
tors. eta vs tors. theta energy: -114.010
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: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1217.943807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.943807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.943807 (E_RNA)
where:
Base-Base interactions energy: -798.562
where: short stacking energy: -396.311
Base-Backbone interact. energy: 0.407
local terms energy: -419.789414
where:
bonds (distance) C4'-P energy: -86.965
bonds (distance) P-C4' energy: -84.076
flat angles C4'-P-C4' energy: -91.817
flat angles P-C4'-P energy: -58.891
tors. eta vs tors. theta energy: -98.041
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: 44
Temperature: 1.050000
Total energy: -1207.814909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.814909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.814909 (E_RNA)
where:
Base-Base interactions energy: -799.414
where: short stacking energy: -359.429
Base-Backbone interact. energy: -2.957
local terms energy: -405.443821
where:
bonds (distance) C4'-P energy: -91.886
bonds (distance) P-C4' energy: -85.315
flat angles C4'-P-C4' energy: -87.781
flat angles P-C4'-P energy: -58.605
tors. eta vs tors. theta energy: -81.857
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: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1135.982365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.982365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.982365 (E_RNA)
where:
Base-Base interactions energy: -766.873
where: short stacking energy: -333.856
Base-Backbone interact. energy: -0.464
local terms energy: -368.644580
where:
bonds (distance) C4'-P energy: -76.805
bonds (distance) P-C4' energy: -83.602
flat angles C4'-P-C4' energy: -93.514
flat angles P-C4'-P energy: -42.330
tors. eta vs tors. theta energy: -72.394
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: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -961.526145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.526145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.526145 (E_RNA)
where:
Base-Base interactions energy: -629.998
where: short stacking energy: -281.370
Base-Backbone interact. energy: 0.319
local terms energy: -331.847195
where:
bonds (distance) C4'-P energy: -75.755
bonds (distance) P-C4' energy: -86.646
flat angles C4'-P-C4' energy: -78.412
flat angles P-C4'-P energy: -47.364
tors. eta vs tors. theta energy: -43.671
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: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -980.882572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.882572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.882572 (E_RNA)
where:
Base-Base interactions energy: -639.328
where: short stacking energy: -309.769
Base-Backbone interact. energy: -0.518
local terms energy: -341.036454
where:
bonds (distance) C4'-P energy: -64.518
bonds (distance) P-C4' energy: -73.904
flat angles C4'-P-C4' energy: -89.959
flat angles P-C4'-P energy: -53.178
tors. eta vs tors. theta energy: -59.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -898.852189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.852189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.852189 (E_RNA)
where:
Base-Base interactions energy: -545.234
where: short stacking energy: -269.608
Base-Backbone interact. energy: -2.277
local terms energy: -351.341523
where:
bonds (distance) C4'-P energy: -79.154
bonds (distance) P-C4' energy: -87.015
flat angles C4'-P-C4' energy: -77.541
flat angles P-C4'-P energy: -61.999
tors. eta vs tors. theta energy: -45.633
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: 44
Temperature: 1.300000
Total energy: -645.095833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.095833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.095833 (E_RNA)
where:
Base-Base interactions energy: -342.930
where: short stacking energy: -201.723
Base-Backbone interact. energy: 3.137
local terms energy: -305.303092
where:
bonds (distance) C4'-P energy: -71.884
bonds (distance) P-C4' energy: -74.539
flat angles C4'-P-C4' energy: -78.704
flat angles P-C4'-P energy: -52.835
tors. eta vs tors. theta energy: -27.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -451.439785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.439785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.439785 (E_RNA)
where:
Base-Base interactions energy: -206.065
where: short stacking energy: -135.244
Base-Backbone interact. energy: 4.506
local terms energy: -249.881064
where:
bonds (distance) C4'-P energy: -81.052
bonds (distance) P-C4' energy: -78.125
flat angles C4'-P-C4' energy: -60.728
flat angles P-C4'-P energy: -24.905
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: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1479.469410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.469410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.469410 (E_RNA)
where:
Base-Base interactions energy: -1009.396
where: short stacking energy: -421.869
Base-Backbone interact. energy: -4.068
local terms energy: -466.005329
where:
bonds (distance) C4'-P energy: -101.331
bonds (distance) P-C4' energy: -86.795
flat angles C4'-P-C4' energy: -102.186
flat angles P-C4'-P energy: -62.623
tors. eta vs tors. theta energy: -113.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1457.215960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.215960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.215960 (E_RNA)
where:
Base-Base interactions energy: -988.718
where: short stacking energy: -427.698
Base-Backbone interact. energy: -1.148
local terms energy: -467.349297
where:
bonds (distance) C4'-P energy: -89.162
bonds (distance) P-C4' energy: -100.726
flat angles C4'-P-C4' energy: -97.517
flat angles P-C4'-P energy: -66.593
tors. eta vs tors. theta energy: -113.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1234.621785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.621785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.621785 (E_RNA)
where:
Base-Base interactions energy: -808.567
where: short stacking energy: -393.015
Base-Backbone interact. energy: -1.437
local terms energy: -424.618726
where:
bonds (distance) C4'-P energy: -91.811
bonds (distance) P-C4' energy: -87.807
flat angles C4'-P-C4' energy: -98.645
flat angles P-C4'-P energy: -60.166
tors. eta vs tors. theta energy: -86.190
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: 45
Temperature: 1.050000
Total energy: -1231.987620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.987620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.987620 (E_RNA)
where:
Base-Base interactions energy: -830.091
where: short stacking energy: -367.991
Base-Backbone interact. energy: 3.402
local terms energy: -405.298897
where:
bonds (distance) C4'-P energy: -78.576
bonds (distance) P-C4' energy: -91.393
flat angles C4'-P-C4' energy: -85.955
flat angles P-C4'-P energy: -63.303
tors. eta vs tors. theta energy: -86.071
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: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1124.293134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.293134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.293134 (E_RNA)
where:
Base-Base interactions energy: -729.048
where: short stacking energy: -345.790
Base-Backbone interact. energy: 5.464
local terms energy: -400.709412
where:
bonds (distance) C4'-P energy: -89.216
bonds (distance) P-C4' energy: -83.797
flat angles C4'-P-C4' energy: -93.739
flat angles P-C4'-P energy: -51.813
tors. eta vs tors. theta energy: -82.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -995.772110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.772110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.772110 (E_RNA)
where:
Base-Base interactions energy: -624.391
where: short stacking energy: -290.898
Base-Backbone interact. energy: -1.429
local terms energy: -369.952173
where:
bonds (distance) C4'-P energy: -88.979
bonds (distance) P-C4' energy: -82.218
flat angles C4'-P-C4' energy: -87.123
flat angles P-C4'-P energy: -50.213
tors. eta vs tors. theta energy: -61.419
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: 45
Temperature: 1.200000
Total energy: -947.611703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.611703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.611703 (E_RNA)
where:
Base-Base interactions energy: -587.679
where: short stacking energy: -265.090
Base-Backbone interact. energy: 0.343
local terms energy: -360.276137
where:
bonds (distance) C4'-P energy: -70.222
bonds (distance) P-C4' energy: -85.036
flat angles C4'-P-C4' energy: -89.673
flat angles P-C4'-P energy: -52.642
tors. eta vs tors. theta energy: -62.703
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: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -854.468973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.468973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.468973 (E_RNA)
where:
Base-Base interactions energy: -527.972
where: short stacking energy: -241.615
Base-Backbone interact. energy: -1.735
local terms energy: -324.762116
where:
bonds (distance) C4'-P energy: -65.241
bonds (distance) P-C4' energy: -80.318
flat angles C4'-P-C4' energy: -80.693
flat angles P-C4'-P energy: -49.800
tors. eta vs tors. theta energy: -48.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -614.417537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.417537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.417537 (E_RNA)
where:
Base-Base interactions energy: -362.690
where: short stacking energy: -186.581
Base-Backbone interact. energy: 5.447
local terms energy: -257.173778
where:
bonds (distance) C4'-P energy: -67.886
bonds (distance) P-C4' energy: -70.409
flat angles C4'-P-C4' energy: -67.481
flat angles P-C4'-P energy: -38.694
tors. eta vs tors. theta energy: -12.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -525.548226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.548226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.548226 (E_RNA)
where:
Base-Base interactions energy: -254.664
where: short stacking energy: -155.259
Base-Backbone interact. energy: -2.697
local terms energy: -268.186442
where:
bonds (distance) C4'-P energy: -61.130
bonds (distance) P-C4' energy: -74.214
flat angles C4'-P-C4' energy: -84.387
flat angles P-C4'-P energy: -43.392
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1472.812991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.812991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.812991 (E_RNA)
where:
Base-Base interactions energy: -1016.740
where: short stacking energy: -427.882
Base-Backbone interact. energy: -1.017
local terms energy: -455.055454
where:
bonds (distance) C4'-P energy: -90.119
bonds (distance) P-C4' energy: -92.077
flat angles C4'-P-C4' energy: -99.608
flat angles P-C4'-P energy: -75.511
tors. eta vs tors. theta energy: -97.741
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: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1499.736386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.736386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.736386 (E_RNA)
where:
Base-Base interactions energy: -1022.744
where: short stacking energy: -457.188
Base-Backbone interact. energy: 2.994
local terms energy: -479.985650
where:
bonds (distance) C4'-P energy: -99.002
bonds (distance) P-C4' energy: -91.775
flat angles C4'-P-C4' energy: -96.676
flat angles P-C4'-P energy: -66.320
tors. eta vs tors. theta energy: -126.213
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: 46
Temperature: 1.000000
Total energy: -1299.423624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.423624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.423624 (E_RNA)
where:
Base-Base interactions energy: -866.007
where: short stacking energy: -392.487
Base-Backbone interact. energy: 2.078
local terms energy: -435.494842
where:
bonds (distance) C4'-P energy: -97.309
bonds (distance) P-C4' energy: -89.650
flat angles C4'-P-C4' energy: -93.967
flat angles P-C4'-P energy: -68.613
tors. eta vs tors. theta energy: -85.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1195.503879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.503879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.503879 (E_RNA)
where:
Base-Base interactions energy: -766.780
where: short stacking energy: -368.580
Base-Backbone interact. energy: -2.634
local terms energy: -426.090519
where:
bonds (distance) C4'-P energy: -85.954
bonds (distance) P-C4' energy: -100.357
flat angles C4'-P-C4' energy: -98.447
flat angles P-C4'-P energy: -55.931
tors. eta vs tors. theta energy: -85.401
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: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1177.212778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.212778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.212778 (E_RNA)
where:
Base-Base interactions energy: -755.234
where: short stacking energy: -369.189
Base-Backbone interact. energy: -1.680
local terms energy: -420.298742
where:
bonds (distance) C4'-P energy: -95.504
bonds (distance) P-C4' energy: -85.821
flat angles C4'-P-C4' energy: -86.893
flat angles P-C4'-P energy: -58.094
tors. eta vs tors. theta energy: -93.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -995.341139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.341139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.341139 (E_RNA)
where:
Base-Base interactions energy: -624.794
where: short stacking energy: -304.518
Base-Backbone interact. energy: 3.508
local terms energy: -374.055714
where:
bonds (distance) C4'-P energy: -84.876
bonds (distance) P-C4' energy: -92.463
flat angles C4'-P-C4' energy: -80.852
flat angles P-C4'-P energy: -45.096
tors. eta vs tors. theta energy: -70.769
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: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -900.307374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.307374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.307374 (E_RNA)
where:
Base-Base interactions energy: -561.606
where: short stacking energy: -256.899
Base-Backbone interact. energy: -0.939
local terms energy: -337.762054
where:
bonds (distance) C4'-P energy: -75.168
bonds (distance) P-C4' energy: -79.221
flat angles C4'-P-C4' energy: -75.542
flat angles P-C4'-P energy: -51.752
tors. eta vs tors. theta energy: -56.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -828.477575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.477575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.477575 (E_RNA)
where:
Base-Base interactions energy: -510.714
where: short stacking energy: -244.750
Base-Backbone interact. energy: -2.123
local terms energy: -315.641121
where:
bonds (distance) C4'-P energy: -74.382
bonds (distance) P-C4' energy: -68.319
flat angles C4'-P-C4' energy: -85.852
flat angles P-C4'-P energy: -45.798
tors. eta vs tors. theta energy: -41.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -644.581984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.581984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.581984 (E_RNA)
where:
Base-Base interactions energy: -372.060
where: short stacking energy: -210.895
Base-Backbone interact. energy: 1.405
local terms energy: -273.927143
where:
bonds (distance) C4'-P energy: -64.972
bonds (distance) P-C4' energy: -74.761
flat angles C4'-P-C4' energy: -73.370
flat angles P-C4'-P energy: -33.982
tors. eta vs tors. theta energy: -26.842
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: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -473.165655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.165655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.165655 (E_RNA)
where:
Base-Base interactions energy: -245.900
where: short stacking energy: -154.079
Base-Backbone interact. energy: 0.526
local terms energy: -227.791240
where:
bonds (distance) C4'-P energy: -83.152
bonds (distance) P-C4' energy: -56.640
flat angles C4'-P-C4' energy: -44.746
flat angles P-C4'-P energy: -38.729
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1488.155779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.155779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.155779 (E_RNA)
where:
Base-Base interactions energy: -1028.694
where: short stacking energy: -427.428
Base-Backbone interact. energy: -0.399
local terms energy: -459.062937
where:
bonds (distance) C4'-P energy: -101.590
bonds (distance) P-C4' energy: -83.232
flat angles C4'-P-C4' energy: -97.285
flat angles P-C4'-P energy: -66.943
tors. eta vs tors. theta energy: -110.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1483.220161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.220161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.220161 (E_RNA)
where:
Base-Base interactions energy: -1006.745
where: short stacking energy: -438.261
Base-Backbone interact. energy: -1.121
local terms energy: -475.355010
where:
bonds (distance) C4'-P energy: -94.377
bonds (distance) P-C4' energy: -91.109
flat angles C4'-P-C4' energy: -102.290
flat angles P-C4'-P energy: -57.773
tors. eta vs tors. theta energy: -129.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1267.628185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.628185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.628185 (E_RNA)
where:
Base-Base interactions energy: -837.790
where: short stacking energy: -389.415
Base-Backbone interact. energy: 0.153
local terms energy: -429.991138
where:
bonds (distance) C4'-P energy: -85.185
bonds (distance) P-C4' energy: -85.121
flat angles C4'-P-C4' energy: -94.563
flat angles P-C4'-P energy: -65.412
tors. eta vs tors. theta energy: -99.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1167.035930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.035930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.035930 (E_RNA)
where:
Base-Base interactions energy: -758.828
where: short stacking energy: -373.208
Base-Backbone interact. energy: -1.361
local terms energy: -406.846803
where:
bonds (distance) C4'-P energy: -79.193
bonds (distance) P-C4' energy: -85.097
flat angles C4'-P-C4' energy: -86.886
flat angles P-C4'-P energy: -60.637
tors. eta vs tors. theta energy: -95.034
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: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1135.268338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.268338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.268338 (E_RNA)
where:
Base-Base interactions energy: -744.874
where: short stacking energy: -333.655
Base-Backbone interact. energy: -2.272
local terms energy: -388.123104
where:
bonds (distance) C4'-P energy: -93.690
bonds (distance) P-C4' energy: -85.417
flat angles C4'-P-C4' energy: -92.089
flat angles P-C4'-P energy: -48.335
tors. eta vs tors. theta energy: -68.592
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: 47
Temperature: 1.150000
Total energy: -950.237433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.237433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.237433 (E_RNA)
where:
Base-Base interactions energy: -580.682
where: short stacking energy: -280.572
Base-Backbone interact. energy: -1.884
local terms energy: -367.670760
where:
bonds (distance) C4'-P energy: -81.979
bonds (distance) P-C4' energy: -82.223
flat angles C4'-P-C4' energy: -80.264
flat angles P-C4'-P energy: -64.919
tors. eta vs tors. theta energy: -58.286
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: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -936.207315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.207315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.207315 (E_RNA)
where:
Base-Base interactions energy: -575.062
where: short stacking energy: -286.120
Base-Backbone interact. energy: -1.363
local terms energy: -359.781670
where:
bonds (distance) C4'-P energy: -65.972
bonds (distance) P-C4' energy: -89.380
flat angles C4'-P-C4' energy: -95.322
flat angles P-C4'-P energy: -55.335
tors. eta vs tors. theta energy: -53.773
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: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -784.453981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.453981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.453981 (E_RNA)
where:
Base-Base interactions energy: -500.747
where: short stacking energy: -246.595
Base-Backbone interact. energy: -0.012
local terms energy: -283.695251
where:
bonds (distance) C4'-P energy: -83.498
bonds (distance) P-C4' energy: -64.238
flat angles C4'-P-C4' energy: -59.965
flat angles P-C4'-P energy: -35.148
tors. eta vs tors. theta energy: -40.845
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: 47
Temperature: 1.300000
Total energy: -662.241028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.241028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.241028 (E_RNA)
where:
Base-Base interactions energy: -367.225
where: short stacking energy: -192.399
Base-Backbone interact. energy: 0.237
local terms energy: -295.252324
where:
bonds (distance) C4'-P energy: -70.076
bonds (distance) P-C4' energy: -74.909
flat angles C4'-P-C4' energy: -89.558
flat angles P-C4'-P energy: -41.777
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -471.440152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.440152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.440152 (E_RNA)
where:
Base-Base interactions energy: -225.331
where: short stacking energy: -129.930
Base-Backbone interact. energy: 0.066
local terms energy: -246.175064
where:
bonds (distance) C4'-P energy: -72.859
bonds (distance) P-C4' energy: -73.443
flat angles C4'-P-C4' energy: -69.104
flat angles P-C4'-P energy: -41.628
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: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1489.910605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.910605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.910605 (E_RNA)
where:
Base-Base interactions energy: -992.043
where: short stacking energy: -451.857
Base-Backbone interact. energy: 0.986
local terms energy: -498.852885
where:
bonds (distance) C4'-P energy: -89.212
bonds (distance) P-C4' energy: -110.422
flat angles C4'-P-C4' energy: -109.762
flat angles P-C4'-P energy: -67.728
tors. eta vs tors. theta energy: -121.729
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: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1440.160010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.160010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.160010 (E_RNA)
where:
Base-Base interactions energy: -973.679
where: short stacking energy: -425.878
Base-Backbone interact. energy: -0.129
local terms energy: -466.352168
where:
bonds (distance) C4'-P energy: -98.197
bonds (distance) P-C4' energy: -92.773
flat angles C4'-P-C4' energy: -99.424
flat angles P-C4'-P energy: -65.065
tors. eta vs tors. theta energy: -110.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1259.524398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.524398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.524398 (E_RNA)
where:
Base-Base interactions energy: -831.134
where: short stacking energy: -413.352
Base-Backbone interact. energy: 1.792
local terms energy: -430.182319
where:
bonds (distance) C4'-P energy: -82.013
bonds (distance) P-C4' energy: -82.632
flat angles C4'-P-C4' energy: -100.209
flat angles P-C4'-P energy: -50.994
tors. eta vs tors. theta energy: -114.333
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: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1260.613555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.613555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.613555 (E_RNA)
where:
Base-Base interactions energy: -853.289
where: short stacking energy: -389.057
Base-Backbone interact. energy: -3.860
local terms energy: -403.464582
where:
bonds (distance) C4'-P energy: -65.999
bonds (distance) P-C4' energy: -80.208
flat angles C4'-P-C4' energy: -94.878
flat angles P-C4'-P energy: -65.419
tors. eta vs tors. theta energy: -96.961
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: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1074.298763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.298763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.298763 (E_RNA)
where:
Base-Base interactions energy: -674.147
where: short stacking energy: -316.179
Base-Backbone interact. energy: -0.528
local terms energy: -399.623849
where:
bonds (distance) C4'-P energy: -90.165
bonds (distance) P-C4' energy: -87.817
flat angles C4'-P-C4' energy: -96.747
flat angles P-C4'-P energy: -56.876
tors. eta vs tors. theta energy: -68.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -941.162231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.162231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.162231 (E_RNA)
where:
Base-Base interactions energy: -579.274
where: short stacking energy: -286.356
Base-Backbone interact. energy: 0.329
local terms energy: -362.216367
where:
bonds (distance) C4'-P energy: -89.812
bonds (distance) P-C4' energy: -85.349
flat angles C4'-P-C4' energy: -86.796
flat angles P-C4'-P energy: -52.487
tors. eta vs tors. theta energy: -47.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -943.068094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.068094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.068094 (E_RNA)
where:
Base-Base interactions energy: -594.204
where: short stacking energy: -270.975
Base-Backbone interact. energy: -1.913
local terms energy: -346.950728
where:
bonds (distance) C4'-P energy: -81.487
bonds (distance) P-C4' energy: -73.261
flat angles C4'-P-C4' energy: -84.886
flat angles P-C4'-P energy: -61.856
tors. eta vs tors. theta energy: -45.460
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: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -840.498395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.498395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.498395 (E_RNA)
where:
Base-Base interactions energy: -524.101
where: short stacking energy: -261.724
Base-Backbone interact. energy: -1.685
local terms energy: -314.712500
where:
bonds (distance) C4'-P energy: -70.809
bonds (distance) P-C4' energy: -84.486
flat angles C4'-P-C4' energy: -71.134
flat angles P-C4'-P energy: -52.200
tors. eta vs tors. theta energy: -36.084
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: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -704.437049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.437049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.437049 (E_RNA)
where:
Base-Base interactions energy: -410.724
where: short stacking energy: -210.377
Base-Backbone interact. energy: 0.340
local terms energy: -294.053204
where:
bonds (distance) C4'-P energy: -73.343
bonds (distance) P-C4' energy: -73.304
flat angles C4'-P-C4' energy: -75.663
flat angles P-C4'-P energy: -56.839
tors. eta vs tors. theta energy: -14.904
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: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -514.580365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.580365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.580365 (E_RNA)
where:
Base-Base interactions energy: -250.507
where: short stacking energy: -141.698
Base-Backbone interact. energy: 0.328
local terms energy: -264.400578
where:
bonds (distance) C4'-P energy: -86.003
bonds (distance) P-C4' energy: -86.392
flat angles C4'-P-C4' energy: -63.666
flat angles P-C4'-P energy: -36.208
tors. eta vs tors. theta energy: 7.868
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: 49
Temperature: 0.900000
Total energy: -1480.839994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.839994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.839994 (E_RNA)
where:
Base-Base interactions energy: -1005.871
where: short stacking energy: -444.484
Base-Backbone interact. energy: 1.054
local terms energy: -476.022978
where:
bonds (distance) C4'-P energy: -90.983
bonds (distance) P-C4' energy: -92.815
flat angles C4'-P-C4' energy: -104.405
flat angles P-C4'-P energy: -67.495
tors. eta vs tors. theta energy: -120.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1425.738033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.738033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.738033 (E_RNA)
where:
Base-Base interactions energy: -959.321
where: short stacking energy: -418.680
Base-Backbone interact. energy: -2.250
local terms energy: -464.167322
where:
bonds (distance) C4'-P energy: -93.846
bonds (distance) P-C4' energy: -90.025
flat angles C4'-P-C4' energy: -102.478
flat angles P-C4'-P energy: -72.927
tors. eta vs tors. theta energy: -104.891
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: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1262.964918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.964918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.964918 (E_RNA)
where:
Base-Base interactions energy: -808.444
where: short stacking energy: -411.739
Base-Backbone interact. energy: -0.795
local terms energy: -453.725883
where:
bonds (distance) C4'-P energy: -88.099
bonds (distance) P-C4' energy: -90.576
flat angles C4'-P-C4' energy: -101.750
flat angles P-C4'-P energy: -57.658
tors. eta vs tors. theta energy: -115.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1287.671724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.671724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.671724 (E_RNA)
where:
Base-Base interactions energy: -868.147
where: short stacking energy: -400.796
Base-Backbone interact. energy: -1.551
local terms energy: -417.973588
where:
bonds (distance) C4'-P energy: -70.072
bonds (distance) P-C4' energy: -84.929
flat angles C4'-P-C4' energy: -96.297
flat angles P-C4'-P energy: -69.308
tors. eta vs tors. theta energy: -97.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1052.027998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.027998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.027998 (E_RNA)
where:
Base-Base interactions energy: -690.707
where: short stacking energy: -328.273
Base-Backbone interact. energy: -0.234
local terms energy: -361.087484
where:
bonds (distance) C4'-P energy: -68.522
bonds (distance) P-C4' energy: -85.110
flat angles C4'-P-C4' energy: -81.648
flat angles P-C4'-P energy: -55.118
tors. eta vs tors. theta energy: -70.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1006.003048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.003048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.003048 (E_RNA)
where:
Base-Base interactions energy: -630.738
where: short stacking energy: -288.638
Base-Backbone interact. energy: -1.448
local terms energy: -373.817334
where:
bonds (distance) C4'-P energy: -97.697
bonds (distance) P-C4' energy: -96.660
flat angles C4'-P-C4' energy: -73.856
flat angles P-C4'-P energy: -46.923
tors. eta vs tors. theta energy: -58.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -940.912241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.912241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.912241 (E_RNA)
where:
Base-Base interactions energy: -619.903
where: short stacking energy: -269.340
Base-Backbone interact. energy: -2.084
local terms energy: -318.924985
where:
bonds (distance) C4'-P energy: -69.748
bonds (distance) P-C4' energy: -89.646
flat angles C4'-P-C4' energy: -80.117
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -48.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -817.854598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.854598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.854598 (E_RNA)
where:
Base-Base interactions energy: -465.471
where: short stacking energy: -226.849
Base-Backbone interact. energy: -0.291
local terms energy: -352.092333
where:
bonds (distance) C4'-P energy: -82.417
bonds (distance) P-C4' energy: -96.325
flat angles C4'-P-C4' energy: -87.490
flat angles P-C4'-P energy: -44.441
tors. eta vs tors. theta energy: -41.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -733.456780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.456780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.456780 (E_RNA)
where:
Base-Base interactions energy: -455.652
where: short stacking energy: -219.634
Base-Backbone interact. energy: 2.787
local terms energy: -280.592015
where:
bonds (distance) C4'-P energy: -76.338
bonds (distance) P-C4' energy: -69.653
flat angles C4'-P-C4' energy: -54.935
flat angles P-C4'-P energy: -51.449
tors. eta vs tors. theta energy: -28.218
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: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -495.112432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.112432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.112432 (E_RNA)
where:
Base-Base interactions energy: -232.600
where: short stacking energy: -144.144
Base-Backbone interact. energy: 1.686
local terms energy: -264.198592
where:
bonds (distance) C4'-P energy: -77.135
bonds (distance) P-C4' energy: -77.995
flat angles C4'-P-C4' energy: -81.540
flat angles P-C4'-P energy: -28.679
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1516.925737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.925737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.925737 (E_RNA)
where:
Base-Base interactions energy: -1049.600
where: short stacking energy: -443.584
Base-Backbone interact. energy: 2.462
local terms energy: -469.787019
where:
bonds (distance) C4'-P energy: -85.338
bonds (distance) P-C4' energy: -102.833
flat angles C4'-P-C4' energy: -94.769
flat angles P-C4'-P energy: -71.267
tors. eta vs tors. theta energy: -115.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1448.900046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.900046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.900046 (E_RNA)
where:
Base-Base interactions energy: -983.570
where: short stacking energy: -428.378
Base-Backbone interact. energy: -3.069
local terms energy: -462.261028
where:
bonds (distance) C4'-P energy: -87.299
bonds (distance) P-C4' energy: -98.951
flat angles C4'-P-C4' energy: -99.911
flat angles P-C4'-P energy: -69.322
tors. eta vs tors. theta energy: -106.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1297.196539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.196539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.196539 (E_RNA)
where:
Base-Base interactions energy: -856.265
where: short stacking energy: -377.141
Base-Backbone interact. energy: -1.882
local terms energy: -439.049341
where:
bonds (distance) C4'-P energy: -93.357
bonds (distance) P-C4' energy: -91.136
flat angles C4'-P-C4' energy: -92.091
flat angles P-C4'-P energy: -56.722
tors. eta vs tors. theta energy: -105.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1241.956948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.956948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.956948 (E_RNA)
where:
Base-Base interactions energy: -811.266
where: short stacking energy: -402.519
Base-Backbone interact. energy: 0.473
local terms energy: -431.164149
where:
bonds (distance) C4'-P energy: -72.886
bonds (distance) P-C4' energy: -76.956
flat angles C4'-P-C4' energy: -102.513
flat angles P-C4'-P energy: -63.222
tors. eta vs tors. theta energy: -115.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1106.662371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.662371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.662371 (E_RNA)
where:
Base-Base interactions energy: -710.403
where: short stacking energy: -337.407
Base-Backbone interact. energy: -1.575
local terms energy: -394.684108
where:
bonds (distance) C4'-P energy: -90.592
bonds (distance) P-C4' energy: -79.895
flat angles C4'-P-C4' energy: -91.655
flat angles P-C4'-P energy: -51.758
tors. eta vs tors. theta energy: -80.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1004.061154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.061154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.061154 (E_RNA)
where:
Base-Base interactions energy: -631.560
where: short stacking energy: -276.936
Base-Backbone interact. energy: -0.780
local terms energy: -371.721478
where:
bonds (distance) C4'-P energy: -91.954
bonds (distance) P-C4' energy: -88.215
flat angles C4'-P-C4' energy: -83.754
flat angles P-C4'-P energy: -48.133
tors. eta vs tors. theta energy: -59.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -978.516356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.516356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.516356 (E_RNA)
where:
Base-Base interactions energy: -621.788
where: short stacking energy: -288.211
Base-Backbone interact. energy: -0.433
local terms energy: -356.295675
where:
bonds (distance) C4'-P energy: -69.159
bonds (distance) P-C4' energy: -92.793
flat angles C4'-P-C4' energy: -90.447
flat angles P-C4'-P energy: -46.074
tors. eta vs tors. theta energy: -57.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -782.808929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.808929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.808929 (E_RNA)
where:
Base-Base interactions energy: -458.261
where: short stacking energy: -219.146
Base-Backbone interact. energy: -0.310
local terms energy: -324.238066
where:
bonds (distance) C4'-P energy: -82.693
bonds (distance) P-C4' energy: -85.773
flat angles C4'-P-C4' energy: -80.274
flat angles P-C4'-P energy: -49.360
tors. eta vs tors. theta energy: -26.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -690.525318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.525318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.525318 (E_RNA)
where:
Base-Base interactions energy: -395.591
where: short stacking energy: -181.120
Base-Backbone interact. energy: -1.291
local terms energy: -293.643235
where:
bonds (distance) C4'-P energy: -69.231
bonds (distance) P-C4' energy: -86.572
flat angles C4'-P-C4' energy: -83.851
flat angles P-C4'-P energy: -42.628
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: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -406.956427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.956427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.956427 (E_RNA)
where:
Base-Base interactions energy: -182.362
where: short stacking energy: -124.666
Base-Backbone interact. energy: 1.786
local terms energy: -226.380792
where:
bonds (distance) C4'-P energy: -72.984
bonds (distance) P-C4' energy: -84.450
flat angles C4'-P-C4' energy: -61.665
flat angles P-C4'-P energy: -26.586
tors. eta vs tors. theta energy: 19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1527.332443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.332443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.332443 (E_RNA)
where:
Base-Base interactions energy: -1048.354
where: short stacking energy: -467.464
Base-Backbone interact. energy: -0.398
local terms energy: -478.580147
where:
bonds (distance) C4'-P energy: -97.812
bonds (distance) P-C4' energy: -90.395
flat angles C4'-P-C4' energy: -100.842
flat angles P-C4'-P energy: -65.254
tors. eta vs tors. theta energy: -124.278
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: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1446.312464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.312464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.312464 (E_RNA)
where:
Base-Base interactions energy: -986.899
where: short stacking energy: -435.217
Base-Backbone interact. energy: 0.318
local terms energy: -459.731488
where:
bonds (distance) C4'-P energy: -88.527
bonds (distance) P-C4' energy: -95.086
flat angles C4'-P-C4' energy: -94.432
flat angles P-C4'-P energy: -67.813
tors. eta vs tors. theta energy: -113.874
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: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1363.739005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.739005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.739005 (E_RNA)
where:
Base-Base interactions energy: -913.152
where: short stacking energy: -415.779
Base-Backbone interact. energy: -1.719
local terms energy: -448.868145
where:
bonds (distance) C4'-P energy: -92.154
bonds (distance) P-C4' energy: -87.290
flat angles C4'-P-C4' energy: -96.727
flat angles P-C4'-P energy: -66.804
tors. eta vs tors. theta energy: -105.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1176.594504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.594504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.594504 (E_RNA)
where:
Base-Base interactions energy: -763.499
where: short stacking energy: -387.185
Base-Backbone interact. energy: 0.281
local terms energy: -413.376972
where:
bonds (distance) C4'-P energy: -82.618
bonds (distance) P-C4' energy: -80.470
flat angles C4'-P-C4' energy: -94.412
flat angles P-C4'-P energy: -53.824
tors. eta vs tors. theta energy: -102.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1086.356055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.356055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.356055 (E_RNA)
where:
Base-Base interactions energy: -703.309
where: short stacking energy: -319.301
Base-Backbone interact. energy: -1.199
local terms energy: -381.848614
where:
bonds (distance) C4'-P energy: -79.552
bonds (distance) P-C4' energy: -84.409
flat angles C4'-P-C4' energy: -95.891
flat angles P-C4'-P energy: -52.199
tors. eta vs tors. theta energy: -69.798
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: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1061.070049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.070049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.070049 (E_RNA)
where:
Base-Base interactions energy: -692.890
where: short stacking energy: -307.832
Base-Backbone interact. energy: 1.010
local terms energy: -369.189820
where:
bonds (distance) C4'-P energy: -76.850
bonds (distance) P-C4' energy: -84.740
flat angles C4'-P-C4' energy: -81.645
flat angles P-C4'-P energy: -51.461
tors. eta vs tors. theta energy: -74.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -933.644686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.644686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.644686 (E_RNA)
where:
Base-Base interactions energy: -604.071
where: short stacking energy: -291.764
Base-Backbone interact. energy: 0.717
local terms energy: -330.290376
where:
bonds (distance) C4'-P energy: -64.220
bonds (distance) P-C4' energy: -91.083
flat angles C4'-P-C4' energy: -83.507
flat angles P-C4'-P energy: -39.692
tors. eta vs tors. theta energy: -51.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -776.667211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.667211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.667211 (E_RNA)
where:
Base-Base interactions energy: -478.234
where: short stacking energy: -242.872
Base-Backbone interact. energy: -0.857
local terms energy: -297.576705
where:
bonds (distance) C4'-P energy: -55.238
bonds (distance) P-C4' energy: -76.935
flat angles C4'-P-C4' energy: -76.143
flat angles P-C4'-P energy: -53.714
tors. eta vs tors. theta energy: -35.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -748.850956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.850956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.850956 (E_RNA)
where:
Base-Base interactions energy: -457.106
where: short stacking energy: -215.105
Base-Backbone interact. energy: 3.068
local terms energy: -294.812959
where:
bonds (distance) C4'-P energy: -71.606
bonds (distance) P-C4' energy: -82.654
flat angles C4'-P-C4' energy: -76.066
flat angles P-C4'-P energy: -44.518
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -430.344737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.344737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.344737 (E_RNA)
where:
Base-Base interactions energy: -178.987
where: short stacking energy: -116.997
Base-Backbone interact. energy: -0.614
local terms energy: -250.743788
where:
bonds (distance) C4'-P energy: -73.653
bonds (distance) P-C4' energy: -92.905
flat angles C4'-P-C4' energy: -67.710
flat angles P-C4'-P energy: -42.175
tors. eta vs tors. theta energy: 25.700
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: 52
Temperature: 0.900000
Total energy: -1519.657217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.657217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.657217 (E_RNA)
where:
Base-Base interactions energy: -1049.556
where: short stacking energy: -451.560
Base-Backbone interact. energy: -2.414
local terms energy: -467.687301
where:
bonds (distance) C4'-P energy: -90.284
bonds (distance) P-C4' energy: -91.422
flat angles C4'-P-C4' energy: -94.122
flat angles P-C4'-P energy: -70.609
tors. eta vs tors. theta energy: -121.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1443.385493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.385493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.385493 (E_RNA)
where:
Base-Base interactions energy: -990.125
where: short stacking energy: -428.928
Base-Backbone interact. energy: -1.692
local terms energy: -451.568865
where:
bonds (distance) C4'-P energy: -87.307
bonds (distance) P-C4' energy: -91.571
flat angles C4'-P-C4' energy: -88.861
flat angles P-C4'-P energy: -66.596
tors. eta vs tors. theta energy: -117.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1338.483112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.483112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.483112 (E_RNA)
where:
Base-Base interactions energy: -890.524
where: short stacking energy: -404.262
Base-Backbone interact. energy: -1.901
local terms energy: -446.058655
where:
bonds (distance) C4'-P energy: -91.348
bonds (distance) P-C4' energy: -96.575
flat angles C4'-P-C4' energy: -84.845
flat angles P-C4'-P energy: -67.468
tors. eta vs tors. theta energy: -105.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1201.321104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.321104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.321104 (E_RNA)
where:
Base-Base interactions energy: -769.840
where: short stacking energy: -388.790
Base-Backbone interact. energy: -2.409
local terms energy: -429.072690
where:
bonds (distance) C4'-P energy: -81.831
bonds (distance) P-C4' energy: -98.007
flat angles C4'-P-C4' energy: -91.052
flat angles P-C4'-P energy: -54.277
tors. eta vs tors. theta energy: -103.905
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: 52
Temperature: 1.100000
Total energy: -1138.601614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.601614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.601614 (E_RNA)
where:
Base-Base interactions energy: -704.054
where: short stacking energy: -359.926
Base-Backbone interact. energy: 1.908
local terms energy: -436.455449
where:
bonds (distance) C4'-P energy: -80.628
bonds (distance) P-C4' energy: -93.918
flat angles C4'-P-C4' energy: -104.517
flat angles P-C4'-P energy: -55.276
tors. eta vs tors. theta energy: -102.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1024.654717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.654717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.654717 (E_RNA)
where:
Base-Base interactions energy: -655.736
where: short stacking energy: -296.556
Base-Backbone interact. energy: -1.171
local terms energy: -367.748517
where:
bonds (distance) C4'-P energy: -84.008
bonds (distance) P-C4' energy: -71.437
flat angles C4'-P-C4' energy: -96.006
flat angles P-C4'-P energy: -65.765
tors. eta vs tors. theta energy: -50.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -921.421590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.421590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.421590 (E_RNA)
where:
Base-Base interactions energy: -607.707
where: short stacking energy: -306.979
Base-Backbone interact. energy: 3.765
local terms energy: -317.479605
where:
bonds (distance) C4'-P energy: -64.961
bonds (distance) P-C4' energy: -72.597
flat angles C4'-P-C4' energy: -71.315
flat angles P-C4'-P energy: -42.367
tors. eta vs tors. theta energy: -66.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -797.495645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.495645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.495645 (E_RNA)
where:
Base-Base interactions energy: -478.699
where: short stacking energy: -232.964
Base-Backbone interact. energy: 0.132
local terms energy: -318.928698
where:
bonds (distance) C4'-P energy: -79.032
bonds (distance) P-C4' energy: -95.239
flat angles C4'-P-C4' energy: -72.306
flat angles P-C4'-P energy: -31.161
tors. eta vs tors. theta energy: -41.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -791.102871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.102871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.102871 (E_RNA)
where:
Base-Base interactions energy: -487.471
where: short stacking energy: -212.833
Base-Backbone interact. energy: -3.530
local terms energy: -300.101312
where:
bonds (distance) C4'-P energy: -75.898
bonds (distance) P-C4' energy: -88.867
flat angles C4'-P-C4' energy: -80.203
flat angles P-C4'-P energy: -43.083
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: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -506.933162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.933162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.933162 (E_RNA)
where:
Base-Base interactions energy: -250.950
where: short stacking energy: -137.311
Base-Backbone interact. energy: 2.507
local terms energy: -258.489945
where:
bonds (distance) C4'-P energy: -73.584
bonds (distance) P-C4' energy: -73.698
flat angles C4'-P-C4' energy: -66.146
flat angles P-C4'-P energy: -45.665
tors. eta vs tors. theta energy: 0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1534.901906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.901906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.901906 (E_RNA)
where:
Base-Base interactions energy: -1058.343
where: short stacking energy: -465.900
Base-Backbone interact. energy: -0.448
local terms energy: -476.111160
where:
bonds (distance) C4'-P energy: -91.002
bonds (distance) P-C4' energy: -82.432
flat angles C4'-P-C4' energy: -102.871
flat angles P-C4'-P energy: -69.215
tors. eta vs tors. theta energy: -130.590
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: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1450.114346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.114346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.114346 (E_RNA)
where:
Base-Base interactions energy: -982.593
where: short stacking energy: -445.901
Base-Backbone interact. energy: -2.207
local terms energy: -465.314733
where:
bonds (distance) C4'-P energy: -95.309
bonds (distance) P-C4' energy: -92.762
flat angles C4'-P-C4' energy: -90.268
flat angles P-C4'-P energy: -66.297
tors. eta vs tors. theta energy: -120.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1373.878739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.878739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.878739 (E_RNA)
where:
Base-Base interactions energy: -933.048
where: short stacking energy: -416.869
Base-Backbone interact. energy: -2.262
local terms energy: -438.568282
where:
bonds (distance) C4'-P energy: -82.559
bonds (distance) P-C4' energy: -94.111
flat angles C4'-P-C4' energy: -91.505
flat angles P-C4'-P energy: -56.005
tors. eta vs tors. theta energy: -114.388
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: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1223.782841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.782841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.782841 (E_RNA)
where:
Base-Base interactions energy: -804.178
where: short stacking energy: -384.951
Base-Backbone interact. energy: -0.750
local terms energy: -418.854758
where:
bonds (distance) C4'-P energy: -81.841
bonds (distance) P-C4' energy: -85.885
flat angles C4'-P-C4' energy: -91.571
flat angles P-C4'-P energy: -65.112
tors. eta vs tors. theta energy: -94.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1155.638314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.638314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.638314 (E_RNA)
where:
Base-Base interactions energy: -748.783
where: short stacking energy: -356.885
Base-Backbone interact. energy: -1.970
local terms energy: -404.885146
where:
bonds (distance) C4'-P energy: -78.343
bonds (distance) P-C4' energy: -91.726
flat angles C4'-P-C4' energy: -81.005
flat angles P-C4'-P energy: -63.691
tors. eta vs tors. theta energy: -90.119
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: 53
Temperature: 1.150000
Total energy: -1043.406562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.406562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.406562 (E_RNA)
where:
Base-Base interactions energy: -663.983
where: short stacking energy: -307.134
Base-Backbone interact. energy: -2.065
local terms energy: -377.357939
where:
bonds (distance) C4'-P energy: -92.175
bonds (distance) P-C4' energy: -74.238
flat angles C4'-P-C4' energy: -96.596
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -66.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -922.259315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.259315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.259315 (E_RNA)
where:
Base-Base interactions energy: -575.358
where: short stacking energy: -266.761
Base-Backbone interact. energy: -1.248
local terms energy: -345.653990
where:
bonds (distance) C4'-P energy: -76.464
bonds (distance) P-C4' energy: -75.252
flat angles C4'-P-C4' energy: -68.811
flat angles P-C4'-P energy: -55.845
tors. eta vs tors. theta energy: -69.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -914.031173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.031173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.031173 (E_RNA)
where:
Base-Base interactions energy: -594.139
where: short stacking energy: -264.204
Base-Backbone interact. energy: -1.472
local terms energy: -318.420051
where:
bonds (distance) C4'-P energy: -76.322
bonds (distance) P-C4' energy: -81.162
flat angles C4'-P-C4' energy: -75.458
flat angles P-C4'-P energy: -46.861
tors. eta vs tors. theta energy: -38.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -789.155307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.155307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.155307 (E_RNA)
where:
Base-Base interactions energy: -482.423
where: short stacking energy: -229.878
Base-Backbone interact. energy: 0.004
local terms energy: -306.735532
where:
bonds (distance) C4'-P energy: -72.883
bonds (distance) P-C4' energy: -96.053
flat angles C4'-P-C4' energy: -58.963
flat angles P-C4'-P energy: -54.289
tors. eta vs tors. theta energy: -24.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -437.419445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.419445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.419445 (E_RNA)
where:
Base-Base interactions energy: -189.253
where: short stacking energy: -120.700
Base-Backbone interact. energy: -2.017
local terms energy: -246.149669
where:
bonds (distance) C4'-P energy: -76.234
bonds (distance) P-C4' energy: -71.015
flat angles C4'-P-C4' energy: -57.956
flat angles P-C4'-P energy: -53.003
tors. eta vs tors. theta energy: 12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1537.933758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.933758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.933758 (E_RNA)
where:
Base-Base interactions energy: -1033.963
where: short stacking energy: -491.411
Base-Backbone interact. energy: -0.147
local terms energy: -503.823079
where:
bonds (distance) C4'-P energy: -89.454
bonds (distance) P-C4' energy: -95.974
flat angles C4'-P-C4' energy: -101.503
flat angles P-C4'-P energy: -77.669
tors. eta vs tors. theta energy: -139.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1443.861064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.861064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.861064 (E_RNA)
where:
Base-Base interactions energy: -984.057
where: short stacking energy: -443.192
Base-Backbone interact. energy: 0.072
local terms energy: -459.875222
where:
bonds (distance) C4'-P energy: -93.672
bonds (distance) P-C4' energy: -88.716
flat angles C4'-P-C4' energy: -95.939
flat angles P-C4'-P energy: -62.597
tors. eta vs tors. theta energy: -118.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1359.343406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.343406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.343406 (E_RNA)
where:
Base-Base interactions energy: -916.321
where: short stacking energy: -391.957
Base-Backbone interact. energy: -3.854
local terms energy: -439.168062
where:
bonds (distance) C4'-P energy: -86.158
bonds (distance) P-C4' energy: -81.943
flat angles C4'-P-C4' energy: -102.637
flat angles P-C4'-P energy: -63.115
tors. eta vs tors. theta energy: -105.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1204.904682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.904682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.904682 (E_RNA)
where:
Base-Base interactions energy: -796.415
where: short stacking energy: -362.733
Base-Backbone interact. energy: 0.502
local terms energy: -408.991968
where:
bonds (distance) C4'-P energy: -91.132
bonds (distance) P-C4' energy: -84.948
flat angles C4'-P-C4' energy: -91.908
flat angles P-C4'-P energy: -52.027
tors. eta vs tors. theta energy: -88.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1144.026267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.026267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.026267 (E_RNA)
where:
Base-Base interactions energy: -749.932
where: short stacking energy: -343.243
Base-Backbone interact. energy: 0.348
local terms energy: -394.442214
where:
bonds (distance) C4'-P energy: -87.237
bonds (distance) P-C4' energy: -79.176
flat angles C4'-P-C4' energy: -83.654
flat angles P-C4'-P energy: -56.712
tors. eta vs tors. theta energy: -87.663
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: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1058.166050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.166050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.166050 (E_RNA)
where:
Base-Base interactions energy: -675.544
where: short stacking energy: -305.642
Base-Backbone interact. energy: -2.499
local terms energy: -380.122813
where:
bonds (distance) C4'-P energy: -79.460
bonds (distance) P-C4' energy: -90.321
flat angles C4'-P-C4' energy: -89.717
flat angles P-C4'-P energy: -58.091
tors. eta vs tors. theta energy: -62.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -926.665526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.665526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.665526 (E_RNA)
where:
Base-Base interactions energy: -582.531
where: short stacking energy: -259.325
Base-Backbone interact. energy: 0.388
local terms energy: -344.522609
where:
bonds (distance) C4'-P energy: -88.535
bonds (distance) P-C4' energy: -81.260
flat angles C4'-P-C4' energy: -74.872
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -54.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -918.351146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.351146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.351146 (E_RNA)
where:
Base-Base interactions energy: -611.037
where: short stacking energy: -278.891
Base-Backbone interact. energy: -3.586
local terms energy: -303.727468
where:
bonds (distance) C4'-P energy: -67.060
bonds (distance) P-C4' energy: -60.742
flat angles C4'-P-C4' energy: -83.033
flat angles P-C4'-P energy: -49.879
tors. eta vs tors. theta energy: -43.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -843.785807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.785807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.785807 (E_RNA)
where:
Base-Base interactions energy: -535.853
where: short stacking energy: -238.679
Base-Backbone interact. energy: 1.716
local terms energy: -309.648489
where:
bonds (distance) C4'-P energy: -61.481
bonds (distance) P-C4' energy: -84.819
flat angles C4'-P-C4' energy: -73.613
flat angles P-C4'-P energy: -45.661
tors. eta vs tors. theta energy: -44.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -438.092019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.092019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.092019 (E_RNA)
where:
Base-Base interactions energy: -193.905
where: short stacking energy: -107.505
Base-Backbone interact. energy: 3.371
local terms energy: -247.557782
where:
bonds (distance) C4'-P energy: -80.832
bonds (distance) P-C4' energy: -75.715
flat angles C4'-P-C4' energy: -70.301
flat angles P-C4'-P energy: -42.015
tors. eta vs tors. theta energy: 21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1536.415971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.415971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.415971 (E_RNA)
where:
Base-Base interactions energy: -1053.179
where: short stacking energy: -478.585
Base-Backbone interact. energy: -2.151
local terms energy: -481.086093
where:
bonds (distance) C4'-P energy: -82.922
bonds (distance) P-C4' energy: -96.368
flat angles C4'-P-C4' energy: -107.210
flat angles P-C4'-P energy: -58.369
tors. eta vs tors. theta energy: -136.218
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: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1434.245266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.245266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.245266 (E_RNA)
where:
Base-Base interactions energy: -950.504
where: short stacking energy: -421.898
Base-Backbone interact. energy: -1.376
local terms energy: -482.365046
where:
bonds (distance) C4'-P energy: -85.619
bonds (distance) P-C4' energy: -106.554
flat angles C4'-P-C4' energy: -102.585
flat angles P-C4'-P energy: -76.777
tors. eta vs tors. theta energy: -110.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1414.292916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.292916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.292916 (E_RNA)
where:
Base-Base interactions energy: -960.853
where: short stacking energy: -412.157
Base-Backbone interact. energy: -2.231
local terms energy: -451.208626
where:
bonds (distance) C4'-P energy: -87.780
bonds (distance) P-C4' energy: -93.765
flat angles C4'-P-C4' energy: -95.611
flat angles P-C4'-P energy: -54.071
tors. eta vs tors. theta energy: -119.982
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: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1182.870656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.870656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.870656 (E_RNA)
where:
Base-Base interactions energy: -751.051
where: short stacking energy: -355.605
Base-Backbone interact. energy: 0.870
local terms energy: -432.690378
where:
bonds (distance) C4'-P energy: -94.085
bonds (distance) P-C4' energy: -97.586
flat angles C4'-P-C4' energy: -80.382
flat angles P-C4'-P energy: -62.250
tors. eta vs tors. theta energy: -98.387
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: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1183.437634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.437634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.437634 (E_RNA)
where:
Base-Base interactions energy: -784.548
where: short stacking energy: -378.128
Base-Backbone interact. energy: -0.903
local terms energy: -397.986612
where:
bonds (distance) C4'-P energy: -65.995
bonds (distance) P-C4' energy: -83.140
flat angles C4'-P-C4' energy: -97.284
flat angles P-C4'-P energy: -56.575
tors. eta vs tors. theta energy: -94.993
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: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1020.805053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.805053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.805053 (E_RNA)
where:
Base-Base interactions energy: -672.946
where: short stacking energy: -328.673
Base-Backbone interact. energy: -0.996
local terms energy: -346.862461
where:
bonds (distance) C4'-P energy: -62.646
bonds (distance) P-C4' energy: -87.212
flat angles C4'-P-C4' energy: -80.241
flat angles P-C4'-P energy: -45.919
tors. eta vs tors. theta energy: -70.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -905.582059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.582059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.582059 (E_RNA)
where:
Base-Base interactions energy: -573.033
where: short stacking energy: -260.886
Base-Backbone interact. energy: -1.978
local terms energy: -330.571041
where:
bonds (distance) C4'-P energy: -76.575
bonds (distance) P-C4' energy: -83.464
flat angles C4'-P-C4' energy: -65.339
flat angles P-C4'-P energy: -51.300
tors. eta vs tors. theta energy: -53.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -945.376671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.376671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.376671 (E_RNA)
where:
Base-Base interactions energy: -636.822
where: short stacking energy: -284.060
Base-Backbone interact. energy: -1.900
local terms energy: -306.654420
where:
bonds (distance) C4'-P energy: -73.895
bonds (distance) P-C4' energy: -76.290
flat angles C4'-P-C4' energy: -78.332
flat angles P-C4'-P energy: -39.750
tors. eta vs tors. theta energy: -38.387
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: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -787.657417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.657417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.657417 (E_RNA)
where:
Base-Base interactions energy: -487.535
where: short stacking energy: -225.759
Base-Backbone interact. energy: 2.191
local terms energy: -302.313332
where:
bonds (distance) C4'-P energy: -85.867
bonds (distance) P-C4' energy: -69.572
flat angles C4'-P-C4' energy: -59.844
flat angles P-C4'-P energy: -53.949
tors. eta vs tors. theta energy: -33.081
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: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -472.645492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.645492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.645492 (E_RNA)
where:
Base-Base interactions energy: -221.529
where: short stacking energy: -136.188
Base-Backbone interact. energy: 1.873
local terms energy: -252.989039
where:
bonds (distance) C4'-P energy: -78.222
bonds (distance) P-C4' energy: -74.869
flat angles C4'-P-C4' energy: -54.249
flat angles P-C4'-P energy: -51.136
tors. eta vs tors. theta energy: 5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1514.933655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.933655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.933655 (E_RNA)
where:
Base-Base interactions energy: -1064.309
where: short stacking energy: -466.146
Base-Backbone interact. energy: -1.368
local terms energy: -449.256707
where:
bonds (distance) C4'-P energy: -85.023
bonds (distance) P-C4' energy: -91.493
flat angles C4'-P-C4' energy: -93.856
flat angles P-C4'-P energy: -54.823
tors. eta vs tors. theta energy: -124.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1415.474844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.474844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.474844 (E_RNA)
where:
Base-Base interactions energy: -963.997
where: short stacking energy: -427.878
Base-Backbone interact. energy: -6.037
local terms energy: -445.440799
where:
bonds (distance) C4'-P energy: -79.051
bonds (distance) P-C4' energy: -91.759
flat angles C4'-P-C4' energy: -99.668
flat angles P-C4'-P energy: -53.802
tors. eta vs tors. theta energy: -121.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1438.366397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.366397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.366397 (E_RNA)
where:
Base-Base interactions energy: -999.322
where: short stacking energy: -434.573
Base-Backbone interact. energy: 1.060
local terms energy: -440.105107
where:
bonds (distance) C4'-P energy: -86.913
bonds (distance) P-C4' energy: -84.002
flat angles C4'-P-C4' energy: -96.161
flat angles P-C4'-P energy: -62.238
tors. eta vs tors. theta energy: -110.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1183.318271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.318271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.318271 (E_RNA)
where:
Base-Base interactions energy: -774.979
where: short stacking energy: -361.646
Base-Backbone interact. energy: -1.650
local terms energy: -406.689403
where:
bonds (distance) C4'-P energy: -81.619
bonds (distance) P-C4' energy: -83.893
flat angles C4'-P-C4' energy: -82.582
flat angles P-C4'-P energy: -59.065
tors. eta vs tors. theta energy: -99.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1106.538938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.538938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.538938 (E_RNA)
where:
Base-Base interactions energy: -720.606
where: short stacking energy: -376.964
Base-Backbone interact. energy: 0.654
local terms energy: -386.587510
where:
bonds (distance) C4'-P energy: -73.060
bonds (distance) P-C4' energy: -83.824
flat angles C4'-P-C4' energy: -78.558
flat angles P-C4'-P energy: -60.219
tors. eta vs tors. theta energy: -90.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1026.875337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.875337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.875337 (E_RNA)
where:
Base-Base interactions energy: -645.269
where: short stacking energy: -289.854
Base-Backbone interact. energy: -0.018
local terms energy: -381.588336
where:
bonds (distance) C4'-P energy: -93.784
bonds (distance) P-C4' energy: -98.140
flat angles C4'-P-C4' energy: -81.834
flat angles P-C4'-P energy: -49.988
tors. eta vs tors. theta energy: -57.843
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: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -973.607343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.607343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.607343 (E_RNA)
where:
Base-Base interactions energy: -653.292
where: short stacking energy: -285.265
Base-Backbone interact. energy: -1.482
local terms energy: -318.833467
where:
bonds (distance) C4'-P energy: -76.731
bonds (distance) P-C4' energy: -79.549
flat angles C4'-P-C4' energy: -71.520
flat angles P-C4'-P energy: -48.169
tors. eta vs tors. theta energy: -42.865
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: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -885.941041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.941041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.941041 (E_RNA)
where:
Base-Base interactions energy: -564.680
where: short stacking energy: -256.499
Base-Backbone interact. energy: -0.965
local terms energy: -320.295529
where:
bonds (distance) C4'-P energy: -68.922
bonds (distance) P-C4' energy: -77.581
flat angles C4'-P-C4' energy: -74.356
flat angles P-C4'-P energy: -45.425
tors. eta vs tors. theta energy: -54.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -740.901765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.901765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.901765 (E_RNA)
where:
Base-Base interactions energy: -467.417
where: short stacking energy: -223.586
Base-Backbone interact. energy: -0.585
local terms energy: -272.900367
where:
bonds (distance) C4'-P energy: -72.178
bonds (distance) P-C4' energy: -83.933
flat angles C4'-P-C4' energy: -59.647
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -36.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -474.350569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.350569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.350569 (E_RNA)
where:
Base-Base interactions energy: -208.375
where: short stacking energy: -120.836
Base-Backbone interact. energy: -0.695
local terms energy: -265.280236
where:
bonds (distance) C4'-P energy: -76.489
bonds (distance) P-C4' energy: -79.088
flat angles C4'-P-C4' energy: -63.959
flat angles P-C4'-P energy: -37.307
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1507.888074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.888074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.888074 (E_RNA)
where:
Base-Base interactions energy: -1025.188
where: short stacking energy: -470.434
Base-Backbone interact. energy: -3.376
local terms energy: -479.323845
where:
bonds (distance) C4'-P energy: -94.618
bonds (distance) P-C4' energy: -97.646
flat angles C4'-P-C4' energy: -101.446
flat angles P-C4'-P energy: -61.445
tors. eta vs tors. theta energy: -124.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1441.803681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.803681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.803681 (E_RNA)
where:
Base-Base interactions energy: -991.932
where: short stacking energy: -409.440
Base-Backbone interact. energy: -2.428
local terms energy: -447.444104
where:
bonds (distance) C4'-P energy: -90.839
bonds (distance) P-C4' energy: -86.810
flat angles C4'-P-C4' energy: -99.720
flat angles P-C4'-P energy: -63.879
tors. eta vs tors. theta energy: -106.196
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: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1388.008645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.008645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.008645 (E_RNA)
where:
Base-Base interactions energy: -942.877
where: short stacking energy: -419.241
Base-Backbone interact. energy: -1.213
local terms energy: -443.918983
where:
bonds (distance) C4'-P energy: -92.051
bonds (distance) P-C4' energy: -95.325
flat angles C4'-P-C4' energy: -92.801
flat angles P-C4'-P energy: -52.406
tors. eta vs tors. theta energy: -111.335
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: 57
Temperature: 1.050000
Total energy: -1194.973907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.973907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.973907 (E_RNA)
where:
Base-Base interactions energy: -764.166
where: short stacking energy: -380.203
Base-Backbone interact. energy: -1.348
local terms energy: -429.460115
where:
bonds (distance) C4'-P energy: -83.831
bonds (distance) P-C4' energy: -91.474
flat angles C4'-P-C4' energy: -94.160
flat angles P-C4'-P energy: -54.730
tors. eta vs tors. theta energy: -105.266
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: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1096.945100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.945100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.945100 (E_RNA)
where:
Base-Base interactions energy: -713.663
where: short stacking energy: -333.444
Base-Backbone interact. energy: -1.835
local terms energy: -381.447040
where:
bonds (distance) C4'-P energy: -77.052
bonds (distance) P-C4' energy: -84.727
flat angles C4'-P-C4' energy: -85.641
flat angles P-C4'-P energy: -57.767
tors. eta vs tors. theta energy: -76.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1017.118061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.118061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.118061 (E_RNA)
where:
Base-Base interactions energy: -653.473
where: short stacking energy: -295.568
Base-Backbone interact. energy: 4.219
local terms energy: -367.864470
where:
bonds (distance) C4'-P energy: -77.703
bonds (distance) P-C4' energy: -88.835
flat angles C4'-P-C4' energy: -85.415
flat angles P-C4'-P energy: -51.576
tors. eta vs tors. theta energy: -64.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -964.335014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.335014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.335014 (E_RNA)
where:
Base-Base interactions energy: -601.637
where: short stacking energy: -277.533
Base-Backbone interact. energy: 5.982
local terms energy: -368.679332
where:
bonds (distance) C4'-P energy: -72.519
bonds (distance) P-C4' energy: -89.661
flat angles C4'-P-C4' energy: -84.690
flat angles P-C4'-P energy: -59.471
tors. eta vs tors. theta energy: -62.338
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: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -849.487816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.487816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.487816 (E_RNA)
where:
Base-Base interactions energy: -547.186
where: short stacking energy: -234.830
Base-Backbone interact. energy: 1.163
local terms energy: -303.464611
where:
bonds (distance) C4'-P energy: -69.388
bonds (distance) P-C4' energy: -85.403
flat angles C4'-P-C4' energy: -69.503
flat angles P-C4'-P energy: -34.734
tors. eta vs tors. theta energy: -44.437
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: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -669.860976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.860976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.860976 (E_RNA)
where:
Base-Base interactions energy: -376.179
where: short stacking energy: -185.419
Base-Backbone interact. energy: 1.141
local terms energy: -294.823324
where:
bonds (distance) C4'-P energy: -73.646
bonds (distance) P-C4' energy: -87.955
flat angles C4'-P-C4' energy: -66.470
flat angles P-C4'-P energy: -45.753
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -463.109919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.109919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.109919 (E_RNA)
where:
Base-Base interactions energy: -202.249
where: short stacking energy: -127.266
Base-Backbone interact. energy: -0.744
local terms energy: -260.117273
where:
bonds (distance) C4'-P energy: -69.480
bonds (distance) P-C4' energy: -79.295
flat angles C4'-P-C4' energy: -66.033
flat angles P-C4'-P energy: -48.128
tors. eta vs tors. theta energy: 2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1491.449733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.449733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.449733 (E_RNA)
where:
Base-Base interactions energy: -1029.869
where: short stacking energy: -447.890
Base-Backbone interact. energy: -1.652
local terms energy: -459.928793
where:
bonds (distance) C4'-P energy: -89.857
bonds (distance) P-C4' energy: -84.410
flat angles C4'-P-C4' energy: -104.362
flat angles P-C4'-P energy: -65.743
tors. eta vs tors. theta energy: -115.557
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: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1459.994501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.994501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.994501 (E_RNA)
where:
Base-Base interactions energy: -991.640
where: short stacking energy: -438.719
Base-Backbone interact. energy: -3.560
local terms energy: -464.794421
where:
bonds (distance) C4'-P energy: -88.523
bonds (distance) P-C4' energy: -96.163
flat angles C4'-P-C4' energy: -97.985
flat angles P-C4'-P energy: -64.003
tors. eta vs tors. theta energy: -118.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1346.798154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.798154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.798154 (E_RNA)
where:
Base-Base interactions energy: -907.347
where: short stacking energy: -402.618
Base-Backbone interact. energy: -2.379
local terms energy: -437.072544
where:
bonds (distance) C4'-P energy: -83.008
bonds (distance) P-C4' energy: -86.516
flat angles C4'-P-C4' energy: -93.425
flat angles P-C4'-P energy: -61.489
tors. eta vs tors. theta energy: -112.635
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: 58
Temperature: 1.050000
Total energy: -1204.831896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.831896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.831896 (E_RNA)
where:
Base-Base interactions energy: -772.329
where: short stacking energy: -358.761
Base-Backbone interact. energy: -1.276
local terms energy: -431.226456
where:
bonds (distance) C4'-P energy: -83.498
bonds (distance) P-C4' energy: -94.928
flat angles C4'-P-C4' energy: -89.911
flat angles P-C4'-P energy: -68.893
tors. eta vs tors. theta energy: -93.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1139.322466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.322466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.322466 (E_RNA)
where:
Base-Base interactions energy: -747.666
where: short stacking energy: -356.419
Base-Backbone interact. energy: -3.060
local terms energy: -388.596457
where:
bonds (distance) C4'-P energy: -78.495
bonds (distance) P-C4' energy: -82.820
flat angles C4'-P-C4' energy: -87.525
flat angles P-C4'-P energy: -61.416
tors. eta vs tors. theta energy: -78.340
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: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1029.442997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.442997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.442997 (E_RNA)
where:
Base-Base interactions energy: -670.430
where: short stacking energy: -304.265
Base-Backbone interact. energy: -4.410
local terms energy: -354.603752
where:
bonds (distance) C4'-P energy: -72.332
bonds (distance) P-C4' energy: -87.705
flat angles C4'-P-C4' energy: -81.876
flat angles P-C4'-P energy: -60.901
tors. eta vs tors. theta energy: -51.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1007.881848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.881848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.881848 (E_RNA)
where:
Base-Base interactions energy: -630.318
where: short stacking energy: -297.703
Base-Backbone interact. energy: -1.834
local terms energy: -375.729329
where:
bonds (distance) C4'-P energy: -82.392
bonds (distance) P-C4' energy: -80.541
flat angles C4'-P-C4' energy: -92.121
flat angles P-C4'-P energy: -54.451
tors. eta vs tors. theta energy: -66.224
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: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -844.077687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.077687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.077687 (E_RNA)
where:
Base-Base interactions energy: -531.981
where: short stacking energy: -255.693
Base-Backbone interact. energy: -1.099
local terms energy: -310.997301
where:
bonds (distance) C4'-P energy: -73.684
bonds (distance) P-C4' energy: -70.939
flat angles C4'-P-C4' energy: -73.602
flat angles P-C4'-P energy: -51.197
tors. eta vs tors. theta energy: -41.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -701.817158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.817158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.817158 (E_RNA)
where:
Base-Base interactions energy: -396.787
where: short stacking energy: -188.912
Base-Backbone interact. energy: -1.643
local terms energy: -303.387595
where:
bonds (distance) C4'-P energy: -77.046
bonds (distance) P-C4' energy: -80.149
flat angles C4'-P-C4' energy: -77.385
flat angles P-C4'-P energy: -46.171
tors. eta vs tors. theta energy: -22.636
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: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -456.480582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.480582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.480582 (E_RNA)
where:
Base-Base interactions energy: -213.418
where: short stacking energy: -120.645
Base-Backbone interact. energy: -2.733
local terms energy: -240.329603
where:
bonds (distance) C4'-P energy: -60.967
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -64.780
flat angles P-C4'-P energy: -44.409
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1542.587669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.587669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.587669 (E_RNA)
where:
Base-Base interactions energy: -1031.743
where: short stacking energy: -489.584
Base-Backbone interact. energy: 3.751
local terms energy: -514.596179
where:
bonds (distance) C4'-P energy: -90.397
bonds (distance) P-C4' energy: -103.454
flat angles C4'-P-C4' energy: -110.630
flat angles P-C4'-P energy: -68.261
tors. eta vs tors. theta energy: -141.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1466.666001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.666001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.666001 (E_RNA)
where:
Base-Base interactions energy: -984.868
where: short stacking energy: -446.784
Base-Backbone interact. energy: 0.178
local terms energy: -481.976422
where:
bonds (distance) C4'-P energy: -94.441
bonds (distance) P-C4' energy: -96.279
flat angles C4'-P-C4' energy: -105.176
flat angles P-C4'-P energy: -69.955
tors. eta vs tors. theta energy: -116.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1369.209008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.209008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.209008 (E_RNA)
where:
Base-Base interactions energy: -917.082
where: short stacking energy: -424.181
Base-Backbone interact. energy: -2.212
local terms energy: -449.914747
where:
bonds (distance) C4'-P energy: -75.258
bonds (distance) P-C4' energy: -100.305
flat angles C4'-P-C4' energy: -104.545
flat angles P-C4'-P energy: -57.300
tors. eta vs tors. theta energy: -112.507
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: 4, replica: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1175.891631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.891631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.891631 (E_RNA)
where:
Base-Base interactions energy: -757.742
where: short stacking energy: -371.021
Base-Backbone interact. energy: -1.840
local terms energy: -416.309068
where:
bonds (distance) C4'-P energy: -78.111
bonds (distance) P-C4' energy: -97.760
flat angles C4'-P-C4' energy: -97.945
flat angles P-C4'-P energy: -55.067
tors. eta vs tors. theta energy: -87.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1094.453864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.453864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.453864 (E_RNA)
where:
Base-Base interactions energy: -702.390
where: short stacking energy: -338.042
Base-Backbone interact. energy: -1.438
local terms energy: -390.626022
where:
bonds (distance) C4'-P energy: -78.386
bonds (distance) P-C4' energy: -93.432
flat angles C4'-P-C4' energy: -82.313
flat angles P-C4'-P energy: -54.227
tors. eta vs tors. theta energy: -82.269
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: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1035.866370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.866370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.866370 (E_RNA)
where:
Base-Base interactions energy: -663.292
where: short stacking energy: -324.257
Base-Backbone interact. energy: -1.860
local terms energy: -370.714469
where:
bonds (distance) C4'-P energy: -82.488
bonds (distance) P-C4' energy: -82.167
flat angles C4'-P-C4' energy: -74.831
flat angles P-C4'-P energy: -61.938
tors. eta vs tors. theta energy: -69.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -984.901109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.901109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.901109 (E_RNA)
where:
Base-Base interactions energy: -638.790
where: short stacking energy: -290.628
Base-Backbone interact. energy: 3.274
local terms energy: -349.385753
where:
bonds (distance) C4'-P energy: -76.835
bonds (distance) P-C4' energy: -77.401
flat angles C4'-P-C4' energy: -86.019
flat angles P-C4'-P energy: -53.975
tors. eta vs tors. theta energy: -55.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -837.465873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.465873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.465873 (E_RNA)
where:
Base-Base interactions energy: -539.579
where: short stacking energy: -259.377
Base-Backbone interact. energy: -0.948
local terms energy: -296.939155
where:
bonds (distance) C4'-P energy: -69.434
bonds (distance) P-C4' energy: -73.796
flat angles C4'-P-C4' energy: -67.852
flat angles P-C4'-P energy: -47.813
tors. eta vs tors. theta energy: -38.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -686.809200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.809200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.809200 (E_RNA)
where:
Base-Base interactions energy: -395.243
where: short stacking energy: -193.733
Base-Backbone interact. energy: -1.385
local terms energy: -290.181096
where:
bonds (distance) C4'-P energy: -73.792
bonds (distance) P-C4' energy: -84.401
flat angles C4'-P-C4' energy: -66.374
flat angles P-C4'-P energy: -49.476
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -506.360583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.360583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.360583 (E_RNA)
where:
Base-Base interactions energy: -250.071
where: short stacking energy: -164.288
Base-Backbone interact. energy: -0.106
local terms energy: -256.183900
where:
bonds (distance) C4'-P energy: -68.079
bonds (distance) P-C4' energy: -74.873
flat angles C4'-P-C4' energy: -69.651
flat angles P-C4'-P energy: -36.236
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: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1538.547351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.547351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.547351 (E_RNA)
where:
Base-Base interactions energy: -1031.195
where: short stacking energy: -471.163
Base-Backbone interact. energy: -2.515
local terms energy: -504.836982
where:
bonds (distance) C4'-P energy: -92.807
bonds (distance) P-C4' energy: -97.181
flat angles C4'-P-C4' energy: -108.789
flat angles P-C4'-P energy: -66.841
tors. eta vs tors. theta energy: -139.220
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: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1435.149045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.149045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.149045 (E_RNA)
where:
Base-Base interactions energy: -978.654
where: short stacking energy: -444.528
Base-Backbone interact. energy: 2.248
local terms energy: -458.743535
where:
bonds (distance) C4'-P energy: -80.178
bonds (distance) P-C4' energy: -88.267
flat angles C4'-P-C4' energy: -100.965
flat angles P-C4'-P energy: -71.864
tors. eta vs tors. theta energy: -117.470
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: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1359.250703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.250703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.250703 (E_RNA)
where:
Base-Base interactions energy: -923.796
where: short stacking energy: -444.577
Base-Backbone interact. energy: -3.929
local terms energy: -431.526051
where:
bonds (distance) C4'-P energy: -81.821
bonds (distance) P-C4' energy: -90.736
flat angles C4'-P-C4' energy: -91.026
flat angles P-C4'-P energy: -50.871
tors. eta vs tors. theta energy: -117.071
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: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1144.616168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.616168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.616168 (E_RNA)
where:
Base-Base interactions energy: -719.095
where: short stacking energy: -349.948
Base-Backbone interact. energy: -1.045
local terms energy: -424.476190
where:
bonds (distance) C4'-P energy: -77.003
bonds (distance) P-C4' energy: -92.548
flat angles C4'-P-C4' energy: -97.436
flat angles P-C4'-P energy: -66.458
tors. eta vs tors. theta energy: -91.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1118.521263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.521263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.521263 (E_RNA)
where:
Base-Base interactions energy: -718.094
where: short stacking energy: -337.834
Base-Backbone interact. energy: -1.489
local terms energy: -398.938231
where:
bonds (distance) C4'-P energy: -80.002
bonds (distance) P-C4' energy: -82.875
flat angles C4'-P-C4' energy: -86.201
flat angles P-C4'-P energy: -62.842
tors. eta vs tors. theta energy: -87.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1040.989400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.989400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.989400 (E_RNA)
where:
Base-Base interactions energy: -671.891
where: short stacking energy: -311.510
Base-Backbone interact. energy: -3.178
local terms energy: -365.920604
where:
bonds (distance) C4'-P energy: -69.077
bonds (distance) P-C4' energy: -95.421
flat angles C4'-P-C4' energy: -88.788
flat angles P-C4'-P energy: -54.506
tors. eta vs tors. theta energy: -58.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1025.826122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.826122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.826122 (E_RNA)
where:
Base-Base interactions energy: -652.646
where: short stacking energy: -293.692
Base-Backbone interact. energy: -1.948
local terms energy: -371.232681
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -89.962
flat angles C4'-P-C4' energy: -87.254
flat angles P-C4'-P energy: -55.147
tors. eta vs tors. theta energy: -62.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -871.594168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.594168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.594168 (E_RNA)
where:
Base-Base interactions energy: -558.437
where: short stacking energy: -265.591
Base-Backbone interact. energy: -0.093
local terms energy: -313.063887
where:
bonds (distance) C4'-P energy: -65.987
bonds (distance) P-C4' energy: -78.999
flat angles C4'-P-C4' energy: -81.217
flat angles P-C4'-P energy: -30.530
tors. eta vs tors. theta energy: -56.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -663.261088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.261088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.261088 (E_RNA)
where:
Base-Base interactions energy: -392.795
where: short stacking energy: -175.697
Base-Backbone interact. energy: 0.356
local terms energy: -270.822236
where:
bonds (distance) C4'-P energy: -63.828
bonds (distance) P-C4' energy: -84.005
flat angles C4'-P-C4' energy: -68.300
flat angles P-C4'-P energy: -45.317
tors. eta vs tors. theta energy: -9.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -458.807264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.807264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.807264 (E_RNA)
where:
Base-Base interactions energy: -206.849
where: short stacking energy: -130.728
Base-Backbone interact. energy: -0.266
local terms energy: -251.692182
where:
bonds (distance) C4'-P energy: -72.123
bonds (distance) P-C4' energy: -82.654
flat angles C4'-P-C4' energy: -69.737
flat angles P-C4'-P energy: -39.855
tors. eta vs tors. theta energy: 12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1558.899269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.899269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.899269 (E_RNA)
where:
Base-Base interactions energy: -1077.010
where: short stacking energy: -482.347
Base-Backbone interact. energy: -0.760
local terms energy: -481.129235
where:
bonds (distance) C4'-P energy: -94.024
bonds (distance) P-C4' energy: -94.048
flat angles C4'-P-C4' energy: -104.389
flat angles P-C4'-P energy: -54.421
tors. eta vs tors. theta energy: -134.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1458.807879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.807879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.807879 (E_RNA)
where:
Base-Base interactions energy: -996.516
where: short stacking energy: -441.233
Base-Backbone interact. energy: -0.306
local terms energy: -461.985340
where:
bonds (distance) C4'-P energy: -83.734
bonds (distance) P-C4' energy: -95.266
flat angles C4'-P-C4' energy: -94.553
flat angles P-C4'-P energy: -75.366
tors. eta vs tors. theta energy: -113.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1353.890198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.890198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.890198 (E_RNA)
where:
Base-Base interactions energy: -916.284
where: short stacking energy: -431.649
Base-Backbone interact. energy: 0.951
local terms energy: -438.558006
where:
bonds (distance) C4'-P energy: -83.594
bonds (distance) P-C4' energy: -82.691
flat angles C4'-P-C4' energy: -100.080
flat angles P-C4'-P energy: -62.754
tors. eta vs tors. theta energy: -109.439
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: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1182.292844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.292844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.292844 (E_RNA)
where:
Base-Base interactions energy: -778.057
where: short stacking energy: -369.743
Base-Backbone interact. energy: -1.341
local terms energy: -402.895188
where:
bonds (distance) C4'-P energy: -66.506
bonds (distance) P-C4' energy: -94.077
flat angles C4'-P-C4' energy: -79.181
flat angles P-C4'-P energy: -62.144
tors. eta vs tors. theta energy: -100.987
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: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1125.497688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.497688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.497688 (E_RNA)
where:
Base-Base interactions energy: -758.555
where: short stacking energy: -361.504
Base-Backbone interact. energy: 1.631
local terms energy: -368.573306
where:
bonds (distance) C4'-P energy: -66.266
bonds (distance) P-C4' energy: -83.012
flat angles C4'-P-C4' energy: -76.755
flat angles P-C4'-P energy: -57.793
tors. eta vs tors. theta energy: -84.747
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: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1031.310042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.310042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.310042 (E_RNA)
where:
Base-Base interactions energy: -659.559
where: short stacking energy: -314.666
Base-Backbone interact. energy: -2.607
local terms energy: -369.144176
where:
bonds (distance) C4'-P energy: -71.737
bonds (distance) P-C4' energy: -81.936
flat angles C4'-P-C4' energy: -94.699
flat angles P-C4'-P energy: -56.735
tors. eta vs tors. theta energy: -64.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -957.674409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.674409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.674409 (E_RNA)
where:
Base-Base interactions energy: -608.853
where: short stacking energy: -280.560
Base-Backbone interact. energy: -2.495
local terms energy: -346.326756
where:
bonds (distance) C4'-P energy: -73.293
bonds (distance) P-C4' energy: -86.653
flat angles C4'-P-C4' energy: -81.314
flat angles P-C4'-P energy: -50.520
tors. eta vs tors. theta energy: -54.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -829.741717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.741717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.741717 (E_RNA)
where:
Base-Base interactions energy: -515.715
where: short stacking energy: -235.660
Base-Backbone interact. energy: -0.796
local terms energy: -313.231585
where:
bonds (distance) C4'-P energy: -72.772
bonds (distance) P-C4' energy: -87.148
flat angles C4'-P-C4' energy: -69.765
flat angles P-C4'-P energy: -43.964
tors. eta vs tors. theta energy: -39.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -707.906913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.906913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.906913 (E_RNA)
where:
Base-Base interactions energy: -442.263
where: short stacking energy: -222.617
Base-Backbone interact. energy: 2.068
local terms energy: -267.711282
where:
bonds (distance) C4'-P energy: -74.462
bonds (distance) P-C4' energy: -71.330
flat angles C4'-P-C4' energy: -66.761
flat angles P-C4'-P energy: -31.690
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -482.223110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.223110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.223110 (E_RNA)
where:
Base-Base interactions energy: -239.857
where: short stacking energy: -132.487
Base-Backbone interact. energy: 0.556
local terms energy: -242.922310
where:
bonds (distance) C4'-P energy: -66.767
bonds (distance) P-C4' energy: -78.373
flat angles C4'-P-C4' energy: -71.851
flat angles P-C4'-P energy: -32.651
tors. eta vs tors. theta energy: 6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1533.829938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.829938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.829938 (E_RNA)
where:
Base-Base interactions energy: -1032.183
where: short stacking energy: -474.116
Base-Backbone interact. energy: 0.922
local terms energy: -502.569207
where:
bonds (distance) C4'-P energy: -89.398
bonds (distance) P-C4' energy: -95.895
flat angles C4'-P-C4' energy: -104.100
flat angles P-C4'-P energy: -76.550
tors. eta vs tors. theta energy: -136.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1441.303544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.303544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.303544 (E_RNA)
where:
Base-Base interactions energy: -981.869
where: short stacking energy: -448.012
Base-Backbone interact. energy: -1.160
local terms energy: -458.274896
where:
bonds (distance) C4'-P energy: -91.080
bonds (distance) P-C4' energy: -93.376
flat angles C4'-P-C4' energy: -91.806
flat angles P-C4'-P energy: -62.658
tors. eta vs tors. theta energy: -119.354
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: 62
Temperature: 1.000000
Total energy: -1344.903702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.903702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.903702 (E_RNA)
where:
Base-Base interactions energy: -902.493
where: short stacking energy: -419.755
Base-Backbone interact. energy: -2.561
local terms energy: -439.850274
where:
bonds (distance) C4'-P energy: -76.504
bonds (distance) P-C4' energy: -91.923
flat angles C4'-P-C4' energy: -89.853
flat angles P-C4'-P energy: -72.881
tors. eta vs tors. theta energy: -108.689
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: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1193.948118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.948118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.948118 (E_RNA)
where:
Base-Base interactions energy: -782.652
where: short stacking energy: -382.330
Base-Backbone interact. energy: 1.342
local terms energy: -412.638194
where:
bonds (distance) C4'-P energy: -84.265
bonds (distance) P-C4' energy: -82.297
flat angles C4'-P-C4' energy: -95.076
flat angles P-C4'-P energy: -61.653
tors. eta vs tors. theta energy: -89.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1099.096425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.096425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.096425 (E_RNA)
where:
Base-Base interactions energy: -715.437
where: short stacking energy: -354.412
Base-Backbone interact. energy: -2.860
local terms energy: -380.799273
where:
bonds (distance) C4'-P energy: -73.617
bonds (distance) P-C4' energy: -76.859
flat angles C4'-P-C4' energy: -90.708
flat angles P-C4'-P energy: -53.020
tors. eta vs tors. theta energy: -86.595
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: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1056.707362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.707362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.707362 (E_RNA)
where:
Base-Base interactions energy: -701.539
where: short stacking energy: -335.154
Base-Backbone interact. energy: -1.363
local terms energy: -353.805810
where:
bonds (distance) C4'-P energy: -75.172
bonds (distance) P-C4' energy: -78.200
flat angles C4'-P-C4' energy: -82.173
flat angles P-C4'-P energy: -39.183
tors. eta vs tors. theta energy: -79.078
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: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -960.028061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.028061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.028061 (E_RNA)
where:
Base-Base interactions energy: -598.210
where: short stacking energy: -269.779
Base-Backbone interact. energy: -0.131
local terms energy: -361.687641
where:
bonds (distance) C4'-P energy: -92.975
bonds (distance) P-C4' energy: -80.857
flat angles C4'-P-C4' energy: -81.585
flat angles P-C4'-P energy: -50.466
tors. eta vs tors. theta energy: -55.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -857.066763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.066763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.066763 (E_RNA)
where:
Base-Base interactions energy: -546.376
where: short stacking energy: -253.973
Base-Backbone interact. energy: -1.240
local terms energy: -309.450099
where:
bonds (distance) C4'-P energy: -66.368
bonds (distance) P-C4' energy: -84.683
flat angles C4'-P-C4' energy: -78.727
flat angles P-C4'-P energy: -42.197
tors. eta vs tors. theta energy: -37.475
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: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -672.972864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.972864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.972864 (E_RNA)
where:
Base-Base interactions energy: -396.527
where: short stacking energy: -217.478
Base-Backbone interact. energy: 1.812
local terms energy: -278.257535
where:
bonds (distance) C4'-P energy: -65.039
bonds (distance) P-C4' energy: -71.629
flat angles C4'-P-C4' energy: -70.747
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -28.947
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: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -525.072678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.072678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.072678 (E_RNA)
where:
Base-Base interactions energy: -264.770
where: short stacking energy: -128.246
Base-Backbone interact. energy: 1.086
local terms energy: -261.388767
where:
bonds (distance) C4'-P energy: -62.674
bonds (distance) P-C4' energy: -72.482
flat angles C4'-P-C4' energy: -65.489
flat angles P-C4'-P energy: -55.612
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1500.848420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.848420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.848420 (E_RNA)
where:
Base-Base interactions energy: -1025.880
where: short stacking energy: -457.818
Base-Backbone interact. energy: -1.603
local terms energy: -473.365201
where:
bonds (distance) C4'-P energy: -85.521
bonds (distance) P-C4' energy: -88.977
flat angles C4'-P-C4' energy: -104.713
flat angles P-C4'-P energy: -69.136
tors. eta vs tors. theta energy: -125.018
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: 63
Temperature: 0.950000
Total energy: -1431.295051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.295051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.295051 (E_RNA)
where:
Base-Base interactions energy: -976.679
where: short stacking energy: -431.615
Base-Backbone interact. energy: 0.347
local terms energy: -454.962504
where:
bonds (distance) C4'-P energy: -87.321
bonds (distance) P-C4' energy: -89.140
flat angles C4'-P-C4' energy: -96.475
flat angles P-C4'-P energy: -68.660
tors. eta vs tors. theta energy: -113.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1342.998315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.998315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.998315 (E_RNA)
where:
Base-Base interactions energy: -897.481
where: short stacking energy: -411.890
Base-Backbone interact. energy: 4.389
local terms energy: -449.907042
where:
bonds (distance) C4'-P energy: -86.555
bonds (distance) P-C4' energy: -90.265
flat angles C4'-P-C4' energy: -110.345
flat angles P-C4'-P energy: -50.752
tors. eta vs tors. theta energy: -111.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1236.591954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.591954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.591954 (E_RNA)
where:
Base-Base interactions energy: -817.307
where: short stacking energy: -397.521
Base-Backbone interact. energy: 0.491
local terms energy: -419.775866
where:
bonds (distance) C4'-P energy: -81.714
bonds (distance) P-C4' energy: -93.585
flat angles C4'-P-C4' energy: -97.953
flat angles P-C4'-P energy: -48.897
tors. eta vs tors. theta energy: -97.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1105.661638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.661638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.661638 (E_RNA)
where:
Base-Base interactions energy: -706.911
where: short stacking energy: -313.820
Base-Backbone interact. energy: -1.710
local terms energy: -397.040751
where:
bonds (distance) C4'-P energy: -74.913
bonds (distance) P-C4' energy: -77.756
flat angles C4'-P-C4' energy: -96.992
flat angles P-C4'-P energy: -67.968
tors. eta vs tors. theta energy: -79.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1059.666802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.666802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.666802 (E_RNA)
where:
Base-Base interactions energy: -709.367
where: short stacking energy: -325.784
Base-Backbone interact. energy: -0.031
local terms energy: -350.268489
where:
bonds (distance) C4'-P energy: -65.745
bonds (distance) P-C4' energy: -75.146
flat angles C4'-P-C4' energy: -80.012
flat angles P-C4'-P energy: -56.530
tors. eta vs tors. theta energy: -72.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -942.265392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.265392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.265392 (E_RNA)
where:
Base-Base interactions energy: -610.350
where: short stacking energy: -251.105
Base-Backbone interact. energy: 0.960
local terms energy: -332.875433
where:
bonds (distance) C4'-P energy: -78.703
bonds (distance) P-C4' energy: -82.658
flat angles C4'-P-C4' energy: -72.628
flat angles P-C4'-P energy: -48.328
tors. eta vs tors. theta energy: -50.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -911.596422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.596422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.596422 (E_RNA)
where:
Base-Base interactions energy: -548.400
where: short stacking energy: -276.363
Base-Backbone interact. energy: -1.383
local terms energy: -361.814252
where:
bonds (distance) C4'-P energy: -86.216
bonds (distance) P-C4' energy: -70.637
flat angles C4'-P-C4' energy: -95.139
flat angles P-C4'-P energy: -59.638
tors. eta vs tors. theta energy: -50.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -789.799236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.799236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.799236 (E_RNA)
where:
Base-Base interactions energy: -503.428
where: short stacking energy: -231.312
Base-Backbone interact. energy: 0.435
local terms energy: -286.805863
where:
bonds (distance) C4'-P energy: -65.285
bonds (distance) P-C4' energy: -73.038
flat angles C4'-P-C4' energy: -67.666
flat angles P-C4'-P energy: -53.052
tors. eta vs tors. theta energy: -27.764
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: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -525.755035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.755035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.755035 (E_RNA)
where:
Base-Base interactions energy: -277.152
where: short stacking energy: -148.754
Base-Backbone interact. energy: 1.622
local terms energy: -250.224811
where:
bonds (distance) C4'-P energy: -72.051
bonds (distance) P-C4' energy: -82.597
flat angles C4'-P-C4' energy: -61.032
flat angles P-C4'-P energy: -39.156
tors. eta vs tors. theta energy: 4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1507.863902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.863902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.863902 (E_RNA)
where:
Base-Base interactions energy: -1028.760
where: short stacking energy: -472.256
Base-Backbone interact. energy: 0.211
local terms energy: -479.315021
where:
bonds (distance) C4'-P energy: -88.191
bonds (distance) P-C4' energy: -94.884
flat angles C4'-P-C4' energy: -100.209
flat angles P-C4'-P energy: -72.143
tors. eta vs tors. theta energy: -123.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1425.715269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.715269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.715269 (E_RNA)
where:
Base-Base interactions energy: -994.208
where: short stacking energy: -447.772
Base-Backbone interact. energy: 1.652
local terms energy: -433.159135
where:
bonds (distance) C4'-P energy: -69.409
bonds (distance) P-C4' energy: -86.141
flat angles C4'-P-C4' energy: -95.674
flat angles P-C4'-P energy: -72.967
tors. eta vs tors. theta energy: -108.968
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: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1375.448059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.448059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.448059 (E_RNA)
where:
Base-Base interactions energy: -912.691
where: short stacking energy: -407.489
Base-Backbone interact. energy: -1.611
local terms energy: -461.145722
where:
bonds (distance) C4'-P energy: -93.156
bonds (distance) P-C4' energy: -99.424
flat angles C4'-P-C4' energy: -95.321
flat angles P-C4'-P energy: -60.262
tors. eta vs tors. theta energy: -112.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1235.430468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.430468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.430468 (E_RNA)
where:
Base-Base interactions energy: -796.857
where: short stacking energy: -372.775
Base-Backbone interact. energy: -0.149
local terms energy: -438.424317
where:
bonds (distance) C4'-P energy: -85.704
bonds (distance) P-C4' energy: -92.179
flat angles C4'-P-C4' energy: -98.370
flat angles P-C4'-P energy: -63.075
tors. eta vs tors. theta energy: -99.096
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: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1121.415075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.415075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.415075 (E_RNA)
where:
Base-Base interactions energy: -742.814
where: short stacking energy: -354.297
Base-Backbone interact. energy: -0.144
local terms energy: -378.456880
where:
bonds (distance) C4'-P energy: -77.686
bonds (distance) P-C4' energy: -84.583
flat angles C4'-P-C4' energy: -79.225
flat angles P-C4'-P energy: -50.172
tors. eta vs tors. theta energy: -86.791
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: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1075.366075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.366075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.366075 (E_RNA)
where:
Base-Base interactions energy: -692.402
where: short stacking energy: -319.715
Base-Backbone interact. energy: -1.048
local terms energy: -381.916182
where:
bonds (distance) C4'-P energy: -65.191
bonds (distance) P-C4' energy: -85.199
flat angles C4'-P-C4' energy: -92.136
flat angles P-C4'-P energy: -61.926
tors. eta vs tors. theta energy: -77.464
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: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -953.519559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.519559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.519559 (E_RNA)
where:
Base-Base interactions energy: -609.346
where: short stacking energy: -273.133
Base-Backbone interact. energy: -0.884
local terms energy: -343.288696
where:
bonds (distance) C4'-P energy: -63.688
bonds (distance) P-C4' energy: -81.986
flat angles C4'-P-C4' energy: -82.243
flat angles P-C4'-P energy: -47.372
tors. eta vs tors. theta energy: -67.999
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: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -903.618913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.618913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.618913 (E_RNA)
where:
Base-Base interactions energy: -562.220
where: short stacking energy: -248.138
Base-Backbone interact. energy: 1.727
local terms energy: -343.125825
where:
bonds (distance) C4'-P energy: -82.884
bonds (distance) P-C4' energy: -73.743
flat angles C4'-P-C4' energy: -91.354
flat angles P-C4'-P energy: -52.827
tors. eta vs tors. theta energy: -42.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -738.194043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.194043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.194043 (E_RNA)
where:
Base-Base interactions energy: -440.990
where: short stacking energy: -211.875
Base-Backbone interact. energy: -3.057
local terms energy: -294.146722
where:
bonds (distance) C4'-P energy: -69.120
bonds (distance) P-C4' energy: -82.046
flat angles C4'-P-C4' energy: -75.662
flat angles P-C4'-P energy: -50.077
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: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -544.153961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.153961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.153961 (E_RNA)
where:
Base-Base interactions energy: -281.578
where: short stacking energy: -154.194
Base-Backbone interact. energy: 0.719
local terms energy: -263.294680
where:
bonds (distance) C4'-P energy: -72.067
bonds (distance) P-C4' energy: -77.755
flat angles C4'-P-C4' energy: -74.478
flat angles P-C4'-P energy: -41.598
tors. eta vs tors. theta energy: 2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1516.570206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.570206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.570206 (E_RNA)
where:
Base-Base interactions energy: -1004.666
where: short stacking energy: -464.849
Base-Backbone interact. energy: -1.893
local terms energy: -510.010846
where:
bonds (distance) C4'-P energy: -100.246
bonds (distance) P-C4' energy: -99.581
flat angles C4'-P-C4' energy: -107.150
flat angles P-C4'-P energy: -69.446
tors. eta vs tors. theta energy: -133.589
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: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1467.637294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.637294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.637294 (E_RNA)
where:
Base-Base interactions energy: -992.342
where: short stacking energy: -443.511
Base-Backbone interact. energy: 0.452
local terms energy: -475.747850
where:
bonds (distance) C4'-P energy: -95.957
bonds (distance) P-C4' energy: -85.613
flat angles C4'-P-C4' energy: -103.302
flat angles P-C4'-P energy: -67.936
tors. eta vs tors. theta energy: -122.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1334.926813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.926813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.926813 (E_RNA)
where:
Base-Base interactions energy: -913.456
where: short stacking energy: -401.536
Base-Backbone interact. energy: -2.862
local terms energy: -418.608190
where:
bonds (distance) C4'-P energy: -75.788
bonds (distance) P-C4' energy: -81.301
flat angles C4'-P-C4' energy: -98.789
flat angles P-C4'-P energy: -64.251
tors. eta vs tors. theta energy: -98.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1235.082533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.082533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.082533 (E_RNA)
where:
Base-Base interactions energy: -801.967
where: short stacking energy: -394.559
Base-Backbone interact. energy: 2.161
local terms energy: -435.276673
where:
bonds (distance) C4'-P energy: -94.403
bonds (distance) P-C4' energy: -75.225
flat angles C4'-P-C4' energy: -99.431
flat angles P-C4'-P energy: -63.927
tors. eta vs tors. theta energy: -102.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1147.827093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.827093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.827093 (E_RNA)
where:
Base-Base interactions energy: -753.855
where: short stacking energy: -352.241
Base-Backbone interact. energy: -1.599
local terms energy: -392.372641
where:
bonds (distance) C4'-P energy: -75.864
bonds (distance) P-C4' energy: -84.794
flat angles C4'-P-C4' energy: -79.922
flat angles P-C4'-P energy: -66.007
tors. eta vs tors. theta energy: -85.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1096.316226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.316226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.316226 (E_RNA)
where:
Base-Base interactions energy: -707.586
where: short stacking energy: -347.886
Base-Backbone interact. energy: -2.408
local terms energy: -386.321994
where:
bonds (distance) C4'-P energy: -89.671
bonds (distance) P-C4' energy: -81.885
flat angles C4'-P-C4' energy: -85.900
flat angles P-C4'-P energy: -46.980
tors. eta vs tors. theta energy: -81.885
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: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -980.040979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.040979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.040979 (E_RNA)
where:
Base-Base interactions energy: -619.235
where: short stacking energy: -289.210
Base-Backbone interact. energy: 1.399
local terms energy: -362.204370
where:
bonds (distance) C4'-P energy: -88.376
bonds (distance) P-C4' energy: -89.019
flat angles C4'-P-C4' energy: -76.683
flat angles P-C4'-P energy: -36.253
tors. eta vs tors. theta energy: -71.873
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: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -826.824012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.824012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.824012 (E_RNA)
where:
Base-Base interactions energy: -487.439
where: short stacking energy: -254.087
Base-Backbone interact. energy: 0.740
local terms energy: -340.125315
where:
bonds (distance) C4'-P energy: -69.522
bonds (distance) P-C4' energy: -89.999
flat angles C4'-P-C4' energy: -85.841
flat angles P-C4'-P energy: -49.365
tors. eta vs tors. theta energy: -45.399
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: 65
Temperature: 1.300000
Total energy: -808.587651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.587651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.587651 (E_RNA)
where:
Base-Base interactions energy: -515.728
where: short stacking energy: -246.029
Base-Backbone interact. energy: -1.064
local terms energy: -291.794935
where:
bonds (distance) C4'-P energy: -64.983
bonds (distance) P-C4' energy: -80.258
flat angles C4'-P-C4' energy: -74.989
flat angles P-C4'-P energy: -30.592
tors. eta vs tors. theta energy: -40.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -534.564125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.564125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.564125 (E_RNA)
where:
Base-Base interactions energy: -283.564
where: short stacking energy: -141.777
Base-Backbone interact. energy: 0.972
local terms energy: -251.971755
where:
bonds (distance) C4'-P energy: -74.051
bonds (distance) P-C4' energy: -71.773
flat angles C4'-P-C4' energy: -64.861
flat angles P-C4'-P energy: -39.503
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1502.480123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.480123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.480123 (E_RNA)
where:
Base-Base interactions energy: -1025.782
where: short stacking energy: -451.737
Base-Backbone interact. energy: -1.438
local terms energy: -475.260546
where:
bonds (distance) C4'-P energy: -84.088
bonds (distance) P-C4' energy: -97.122
flat angles C4'-P-C4' energy: -108.136
flat angles P-C4'-P energy: -59.889
tors. eta vs tors. theta energy: -126.026
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: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1465.637473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.637473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.637473 (E_RNA)
where:
Base-Base interactions energy: -1020.064
where: short stacking energy: -441.605
Base-Backbone interact. energy: -1.612
local terms energy: -443.961639
where:
bonds (distance) C4'-P energy: -87.121
bonds (distance) P-C4' energy: -89.869
flat angles C4'-P-C4' energy: -104.125
flat angles P-C4'-P energy: -52.356
tors. eta vs tors. theta energy: -110.491
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: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1344.921894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.921894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.921894 (E_RNA)
where:
Base-Base interactions energy: -920.282
where: short stacking energy: -409.716
Base-Backbone interact. energy: 2.270
local terms energy: -426.909471
where:
bonds (distance) C4'-P energy: -70.637
bonds (distance) P-C4' energy: -88.997
flat angles C4'-P-C4' energy: -96.435
flat angles P-C4'-P energy: -54.779
tors. eta vs tors. theta energy: -116.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1263.440078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.440078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.440078 (E_RNA)
where:
Base-Base interactions energy: -841.742
where: short stacking energy: -412.820
Base-Backbone interact. energy: 0.070
local terms energy: -421.768801
where:
bonds (distance) C4'-P energy: -89.317
bonds (distance) P-C4' energy: -85.718
flat angles C4'-P-C4' energy: -97.292
flat angles P-C4'-P energy: -45.486
tors. eta vs tors. theta energy: -103.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1160.184757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.184757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.184757 (E_RNA)
where:
Base-Base interactions energy: -765.063
where: short stacking energy: -362.415
Base-Backbone interact. energy: 4.440
local terms energy: -399.562368
where:
bonds (distance) C4'-P energy: -69.749
bonds (distance) P-C4' energy: -91.203
flat angles C4'-P-C4' energy: -90.647
flat angles P-C4'-P energy: -60.619
tors. eta vs tors. theta energy: -87.345
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: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1076.277610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.277610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.277610 (E_RNA)
where:
Base-Base interactions energy: -712.368
where: short stacking energy: -332.361
Base-Backbone interact. energy: -2.968
local terms energy: -360.941752
where:
bonds (distance) C4'-P energy: -62.490
bonds (distance) P-C4' energy: -76.360
flat angles C4'-P-C4' energy: -82.807
flat angles P-C4'-P energy: -57.127
tors. eta vs tors. theta energy: -82.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -989.771783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.771783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.771783 (E_RNA)
where:
Base-Base interactions energy: -614.966
where: short stacking energy: -290.100
Base-Backbone interact. energy: -1.122
local terms energy: -373.683521
where:
bonds (distance) C4'-P energy: -83.794
bonds (distance) P-C4' energy: -74.351
flat angles C4'-P-C4' energy: -86.272
flat angles P-C4'-P energy: -61.083
tors. eta vs tors. theta energy: -68.184
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: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -814.221128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.221128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.221128 (E_RNA)
where:
Base-Base interactions energy: -497.514
where: short stacking energy: -228.476
Base-Backbone interact. energy: -0.004
local terms energy: -316.702737
where:
bonds (distance) C4'-P energy: -75.566
bonds (distance) P-C4' energy: -78.926
flat angles C4'-P-C4' energy: -84.808
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: -42.375
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: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -724.033991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.033991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.033991 (E_RNA)
where:
Base-Base interactions energy: -439.829
where: short stacking energy: -214.570
Base-Backbone interact. energy: -1.010
local terms energy: -283.194397
where:
bonds (distance) C4'-P energy: -69.011
bonds (distance) P-C4' energy: -82.406
flat angles C4'-P-C4' energy: -71.077
flat angles P-C4'-P energy: -24.718
tors. eta vs tors. theta energy: -35.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -535.751076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.751076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.751076 (E_RNA)
where:
Base-Base interactions energy: -250.652
where: short stacking energy: -159.017
Base-Backbone interact. energy: -0.595
local terms energy: -284.503774
where:
bonds (distance) C4'-P energy: -71.673
bonds (distance) P-C4' energy: -85.047
flat angles C4'-P-C4' energy: -79.425
flat angles P-C4'-P energy: -45.838
tors. eta vs tors. theta energy: -2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1528.596468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.596468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.596468 (E_RNA)
where:
Base-Base interactions energy: -1033.988
where: short stacking energy: -485.891
Base-Backbone interact. energy: -0.517
local terms energy: -494.091991
where:
bonds (distance) C4'-P energy: -85.948
bonds (distance) P-C4' energy: -93.702
flat angles C4'-P-C4' energy: -109.031
flat angles P-C4'-P energy: -61.650
tors. eta vs tors. theta energy: -143.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1473.156581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.156581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.156581 (E_RNA)
where:
Base-Base interactions energy: -1007.261
where: short stacking energy: -429.274
Base-Backbone interact. energy: -2.672
local terms energy: -463.223447
where:
bonds (distance) C4'-P energy: -88.674
bonds (distance) P-C4' energy: -91.261
flat angles C4'-P-C4' energy: -98.555
flat angles P-C4'-P energy: -62.414
tors. eta vs tors. theta energy: -122.319
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: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1353.142467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.142467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.142467 (E_RNA)
where:
Base-Base interactions energy: -907.136
where: short stacking energy: -419.416
Base-Backbone interact. energy: -0.553
local terms energy: -445.453748
where:
bonds (distance) C4'-P energy: -83.634
bonds (distance) P-C4' energy: -92.104
flat angles C4'-P-C4' energy: -102.157
flat angles P-C4'-P energy: -57.950
tors. eta vs tors. theta energy: -109.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1193.129969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.129969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.129969 (E_RNA)
where:
Base-Base interactions energy: -775.593
where: short stacking energy: -365.972
Base-Backbone interact. energy: -0.866
local terms energy: -416.670808
where:
bonds (distance) C4'-P energy: -79.420
bonds (distance) P-C4' energy: -80.641
flat angles C4'-P-C4' energy: -98.376
flat angles P-C4'-P energy: -72.161
tors. eta vs tors. theta energy: -86.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1164.009569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.009569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.009569 (E_RNA)
where:
Base-Base interactions energy: -772.199
where: short stacking energy: -362.213
Base-Backbone interact. energy: -0.711
local terms energy: -391.099330
where:
bonds (distance) C4'-P energy: -89.812
bonds (distance) P-C4' energy: -74.394
flat angles C4'-P-C4' energy: -89.811
flat angles P-C4'-P energy: -48.020
tors. eta vs tors. theta energy: -89.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1061.425387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.425387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.425387 (E_RNA)
where:
Base-Base interactions energy: -681.488
where: short stacking energy: -317.969
Base-Backbone interact. energy: -0.810
local terms energy: -379.127862
where:
bonds (distance) C4'-P energy: -81.453
bonds (distance) P-C4' energy: -87.034
flat angles C4'-P-C4' energy: -82.842
flat angles P-C4'-P energy: -42.986
tors. eta vs tors. theta energy: -84.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -969.408416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.408416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.408416 (E_RNA)
where:
Base-Base interactions energy: -603.223
where: short stacking energy: -294.231
Base-Backbone interact. energy: -1.186
local terms energy: -364.999911
where:
bonds (distance) C4'-P energy: -85.104
bonds (distance) P-C4' energy: -88.139
flat angles C4'-P-C4' energy: -72.677
flat angles P-C4'-P energy: -51.106
tors. eta vs tors. theta energy: -67.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -826.781651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.781651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.781651 (E_RNA)
where:
Base-Base interactions energy: -523.920
where: short stacking energy: -254.729
Base-Backbone interact. energy: 3.567
local terms energy: -306.427989
where:
bonds (distance) C4'-P energy: -67.887
bonds (distance) P-C4' energy: -88.927
flat angles C4'-P-C4' energy: -67.314
flat angles P-C4'-P energy: -38.262
tors. eta vs tors. theta energy: -44.038
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: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -672.895684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.895684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.895684 (E_RNA)
where:
Base-Base interactions energy: -344.835
where: short stacking energy: -186.700
Base-Backbone interact. energy: -3.469
local terms energy: -324.591685
where:
bonds (distance) C4'-P energy: -74.974
bonds (distance) P-C4' energy: -81.699
flat angles C4'-P-C4' energy: -94.595
flat angles P-C4'-P energy: -41.991
tors. eta vs tors. theta energy: -31.333
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: 67
Temperature: 1.350000
Total energy: -547.319232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.319232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.319232 (E_RNA)
where:
Base-Base interactions energy: -288.657
where: short stacking energy: -168.018
Base-Backbone interact. energy: -1.814
local terms energy: -256.848962
where:
bonds (distance) C4'-P energy: -64.779
bonds (distance) P-C4' energy: -74.619
flat angles C4'-P-C4' energy: -60.160
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1538.821234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.821234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.821234 (E_RNA)
where:
Base-Base interactions energy: -1041.757
where: short stacking energy: -483.724
Base-Backbone interact. energy: -0.940
local terms energy: -496.124165
where:
bonds (distance) C4'-P energy: -82.153
bonds (distance) P-C4' energy: -91.606
flat angles C4'-P-C4' energy: -105.880
flat angles P-C4'-P energy: -76.485
tors. eta vs tors. theta energy: -140.001
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: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1487.553106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.553106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.553106 (E_RNA)
where:
Base-Base interactions energy: -1014.945
where: short stacking energy: -442.504
Base-Backbone interact. energy: -1.719
local terms energy: -470.889578
where:
bonds (distance) C4'-P energy: -95.858
bonds (distance) P-C4' energy: -85.506
flat angles C4'-P-C4' energy: -95.371
flat angles P-C4'-P energy: -71.466
tors. eta vs tors. theta energy: -122.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1321.736622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.736622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.736622 (E_RNA)
where:
Base-Base interactions energy: -890.604
where: short stacking energy: -402.149
Base-Backbone interact. energy: -1.312
local terms energy: -429.821274
where:
bonds (distance) C4'-P energy: -89.044
bonds (distance) P-C4' energy: -94.631
flat angles C4'-P-C4' energy: -89.762
flat angles P-C4'-P energy: -46.788
tors. eta vs tors. theta energy: -109.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1225.003500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.003500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.003500 (E_RNA)
where:
Base-Base interactions energy: -812.588
where: short stacking energy: -384.227
Base-Backbone interact. energy: -0.753
local terms energy: -411.662595
where:
bonds (distance) C4'-P energy: -70.536
bonds (distance) P-C4' energy: -87.578
flat angles C4'-P-C4' energy: -99.695
flat angles P-C4'-P energy: -56.171
tors. eta vs tors. theta energy: -97.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1185.418440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.418440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.418440 (E_RNA)
where:
Base-Base interactions energy: -787.571
where: short stacking energy: -366.604
Base-Backbone interact. energy: -1.234
local terms energy: -396.613498
where:
bonds (distance) C4'-P energy: -81.658
bonds (distance) P-C4' energy: -83.382
flat angles C4'-P-C4' energy: -82.910
flat angles P-C4'-P energy: -57.378
tors. eta vs tors. theta energy: -91.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1055.081740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.081740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.081740 (E_RNA)
where:
Base-Base interactions energy: -684.351
where: short stacking energy: -310.426
Base-Backbone interact. energy: 0.995
local terms energy: -371.725773
where:
bonds (distance) C4'-P energy: -65.148
bonds (distance) P-C4' energy: -79.883
flat angles C4'-P-C4' energy: -96.346
flat angles P-C4'-P energy: -63.004
tors. eta vs tors. theta energy: -67.344
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: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -940.055211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.055211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.055211 (E_RNA)
where:
Base-Base interactions energy: -612.068
where: short stacking energy: -275.860
Base-Backbone interact. energy: -2.692
local terms energy: -325.294810
where:
bonds (distance) C4'-P energy: -80.693
bonds (distance) P-C4' energy: -74.583
flat angles C4'-P-C4' energy: -69.840
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: -59.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -843.259094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.259094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.259094 (E_RNA)
where:
Base-Base interactions energy: -510.665
where: short stacking energy: -223.843
Base-Backbone interact. energy: -2.645
local terms energy: -329.949096
where:
bonds (distance) C4'-P energy: -86.544
bonds (distance) P-C4' energy: -83.287
flat angles C4'-P-C4' energy: -77.289
flat angles P-C4'-P energy: -41.453
tors. eta vs tors. theta energy: -41.376
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: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -660.117979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.117979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.117979 (E_RNA)
where:
Base-Base interactions energy: -371.658
where: short stacking energy: -192.886
Base-Backbone interact. energy: -1.018
local terms energy: -287.441785
where:
bonds (distance) C4'-P energy: -73.886
bonds (distance) P-C4' energy: -80.086
flat angles C4'-P-C4' energy: -71.425
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -504.089890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.089890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.089890 (E_RNA)
where:
Base-Base interactions energy: -246.369
where: short stacking energy: -153.473
Base-Backbone interact. energy: -2.618
local terms energy: -255.103182
where:
bonds (distance) C4'-P energy: -77.964
bonds (distance) P-C4' energy: -52.849
flat angles C4'-P-C4' energy: -59.977
flat angles P-C4'-P energy: -47.028
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1509.674959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.674959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.674959 (E_RNA)
where:
Base-Base interactions energy: -1000.903
where: short stacking energy: -452.624
Base-Backbone interact. energy: -1.459
local terms energy: -507.312217
where:
bonds (distance) C4'-P energy: -95.019
bonds (distance) P-C4' energy: -97.732
flat angles C4'-P-C4' energy: -109.730
flat angles P-C4'-P energy: -74.959
tors. eta vs tors. theta energy: -129.872
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: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1458.560821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.560821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.560821 (E_RNA)
where:
Base-Base interactions energy: -987.561
where: short stacking energy: -430.648
Base-Backbone interact. energy: -1.429
local terms energy: -469.570874
where:
bonds (distance) C4'-P energy: -94.164
bonds (distance) P-C4' energy: -91.858
flat angles C4'-P-C4' energy: -101.890
flat angles P-C4'-P energy: -67.166
tors. eta vs tors. theta energy: -114.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1321.217572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.217572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.217572 (E_RNA)
where:
Base-Base interactions energy: -868.192
where: short stacking energy: -415.405
Base-Backbone interact. energy: -2.850
local terms energy: -450.175706
where:
bonds (distance) C4'-P energy: -90.640
bonds (distance) P-C4' energy: -94.161
flat angles C4'-P-C4' energy: -96.790
flat angles P-C4'-P energy: -58.518
tors. eta vs tors. theta energy: -110.068
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: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1239.941258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.941258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.941258 (E_RNA)
where:
Base-Base interactions energy: -808.744
where: short stacking energy: -389.799
Base-Backbone interact. energy: -0.374
local terms energy: -430.823188
where:
bonds (distance) C4'-P energy: -94.682
bonds (distance) P-C4' energy: -72.882
flat angles C4'-P-C4' energy: -87.786
flat angles P-C4'-P energy: -66.924
tors. eta vs tors. theta energy: -108.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1151.060680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.060680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.060680 (E_RNA)
where:
Base-Base interactions energy: -750.831
where: short stacking energy: -353.082
Base-Backbone interact. energy: 2.305
local terms energy: -402.534251
where:
bonds (distance) C4'-P energy: -85.378
bonds (distance) P-C4' energy: -91.832
flat angles C4'-P-C4' energy: -92.705
flat angles P-C4'-P energy: -51.292
tors. eta vs tors. theta energy: -81.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1072.322067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.322067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.322067 (E_RNA)
where:
Base-Base interactions energy: -709.052
where: short stacking energy: -346.753
Base-Backbone interact. energy: -1.358
local terms energy: -361.911777
where:
bonds (distance) C4'-P energy: -72.202
bonds (distance) P-C4' energy: -85.813
flat angles C4'-P-C4' energy: -71.810
flat angles P-C4'-P energy: -46.683
tors. eta vs tors. theta energy: -85.404
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: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -973.767046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.767046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.767046 (E_RNA)
where:
Base-Base interactions energy: -631.026
where: short stacking energy: -288.825
Base-Backbone interact. energy: -1.334
local terms energy: -341.407461
where:
bonds (distance) C4'-P energy: -72.090
bonds (distance) P-C4' energy: -77.023
flat angles C4'-P-C4' energy: -84.558
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: -61.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -880.151254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.151254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.151254 (E_RNA)
where:
Base-Base interactions energy: -545.870
where: short stacking energy: -263.675
Base-Backbone interact. energy: -1.700
local terms energy: -332.581554
where:
bonds (distance) C4'-P energy: -87.022
bonds (distance) P-C4' energy: -72.130
flat angles C4'-P-C4' energy: -72.816
flat angles P-C4'-P energy: -52.513
tors. eta vs tors. theta energy: -48.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -656.448077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.448077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.448077 (E_RNA)
where:
Base-Base interactions energy: -376.838
where: short stacking energy: -186.911
Base-Backbone interact. energy: 0.075
local terms energy: -279.685387
where:
bonds (distance) C4'-P energy: -96.770
bonds (distance) P-C4' energy: -73.860
flat angles C4'-P-C4' energy: -63.103
flat angles P-C4'-P energy: -35.157
tors. eta vs tors. theta energy: -10.797
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: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -529.401096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.401096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.401096 (E_RNA)
where:
Base-Base interactions energy: -274.576
where: short stacking energy: -160.067
Base-Backbone interact. energy: -1.433
local terms energy: -253.391497
where:
bonds (distance) C4'-P energy: -68.971
bonds (distance) P-C4' energy: -75.255
flat angles C4'-P-C4' energy: -63.923
flat angles P-C4'-P energy: -41.597
tors. eta vs tors. theta energy: -3.644
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: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1512.000653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.000653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.000653 (E_RNA)
where:
Base-Base interactions energy: -1044.606
where: short stacking energy: -454.336
Base-Backbone interact. energy: 1.520
local terms energy: -468.915263
where:
bonds (distance) C4'-P energy: -80.161
bonds (distance) P-C4' energy: -89.427
flat angles C4'-P-C4' energy: -97.806
flat angles P-C4'-P energy: -69.513
tors. eta vs tors. theta energy: -132.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1479.279703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.279703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.279703 (E_RNA)
where:
Base-Base interactions energy: -1002.052
where: short stacking energy: -467.697
Base-Backbone interact. energy: 4.446
local terms energy: -481.674439
where:
bonds (distance) C4'-P energy: -93.456
bonds (distance) P-C4' energy: -93.915
flat angles C4'-P-C4' energy: -99.828
flat angles P-C4'-P energy: -69.527
tors. eta vs tors. theta energy: -124.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1347.278930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.278930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.278930 (E_RNA)
where:
Base-Base interactions energy: -894.432
where: short stacking energy: -430.941
Base-Backbone interact. energy: -3.494
local terms energy: -449.353519
where:
bonds (distance) C4'-P energy: -91.170
bonds (distance) P-C4' energy: -89.579
flat angles C4'-P-C4' energy: -93.259
flat angles P-C4'-P energy: -61.946
tors. eta vs tors. theta energy: -113.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1210.376464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.376464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.376464 (E_RNA)
where:
Base-Base interactions energy: -800.517
where: short stacking energy: -377.623
Base-Backbone interact. energy: 0.344
local terms energy: -410.203870
where:
bonds (distance) C4'-P energy: -83.723
bonds (distance) P-C4' energy: -90.119
flat angles C4'-P-C4' energy: -90.197
flat angles P-C4'-P energy: -51.989
tors. eta vs tors. theta energy: -94.176
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: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1158.700748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.700748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.700748 (E_RNA)
where:
Base-Base interactions energy: -765.819
where: short stacking energy: -314.238
Base-Backbone interact. energy: -1.233
local terms energy: -391.649348
where:
bonds (distance) C4'-P energy: -77.523
bonds (distance) P-C4' energy: -87.005
flat angles C4'-P-C4' energy: -86.095
flat angles P-C4'-P energy: -62.593
tors. eta vs tors. theta energy: -78.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1031.518375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.518375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.518375 (E_RNA)
where:
Base-Base interactions energy: -644.594
where: short stacking energy: -296.597
Base-Backbone interact. energy: 0.804
local terms energy: -387.728610
where:
bonds (distance) C4'-P energy: -84.944
bonds (distance) P-C4' energy: -85.545
flat angles C4'-P-C4' energy: -87.245
flat angles P-C4'-P energy: -64.577
tors. eta vs tors. theta energy: -65.418
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: 70
Temperature: 1.200000
Total energy: -954.464589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.464589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.464589 (E_RNA)
where:
Base-Base interactions energy: -584.382
where: short stacking energy: -290.854
Base-Backbone interact. energy: 0.608
local terms energy: -370.690814
where:
bonds (distance) C4'-P energy: -88.029
bonds (distance) P-C4' energy: -81.573
flat angles C4'-P-C4' energy: -85.672
flat angles P-C4'-P energy: -58.324
tors. eta vs tors. theta energy: -57.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -879.943852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.943852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.943852 (E_RNA)
where:
Base-Base interactions energy: -569.997
where: short stacking energy: -266.296
Base-Backbone interact. energy: -1.317
local terms energy: -308.629745
where:
bonds (distance) C4'-P energy: -70.565
bonds (distance) P-C4' energy: -72.069
flat angles C4'-P-C4' energy: -70.865
flat angles P-C4'-P energy: -51.296
tors. eta vs tors. theta energy: -43.834
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: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -696.153930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.153930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.153930 (E_RNA)
where:
Base-Base interactions energy: -412.549
where: short stacking energy: -208.858
Base-Backbone interact. energy: -1.218
local terms energy: -282.387223
where:
bonds (distance) C4'-P energy: -73.244
bonds (distance) P-C4' energy: -81.029
flat angles C4'-P-C4' energy: -63.094
flat angles P-C4'-P energy: -51.339
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -528.842114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.842114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.842114 (E_RNA)
where:
Base-Base interactions energy: -275.197
where: short stacking energy: -168.090
Base-Backbone interact. energy: 7.901
local terms energy: -261.546283
where:
bonds (distance) C4'-P energy: -67.336
bonds (distance) P-C4' energy: -76.428
flat angles C4'-P-C4' energy: -60.273
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: -18.286
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: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1538.530541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.530541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.530541 (E_RNA)
where:
Base-Base interactions energy: -1072.214
where: short stacking energy: -455.227
Base-Backbone interact. energy: -3.518
local terms energy: -462.798342
where:
bonds (distance) C4'-P energy: -93.029
bonds (distance) P-C4' energy: -87.920
flat angles C4'-P-C4' energy: -99.754
flat angles P-C4'-P energy: -58.484
tors. eta vs tors. theta energy: -123.613
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: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1447.564081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.564081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.564081 (E_RNA)
where:
Base-Base interactions energy: -988.845
where: short stacking energy: -419.962
Base-Backbone interact. energy: 0.925
local terms energy: -459.643702
where:
bonds (distance) C4'-P energy: -92.079
bonds (distance) P-C4' energy: -97.522
flat angles C4'-P-C4' energy: -97.112
flat angles P-C4'-P energy: -57.170
tors. eta vs tors. theta energy: -115.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1327.920187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.920187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.920187 (E_RNA)
where:
Base-Base interactions energy: -876.483
where: short stacking energy: -397.770
Base-Backbone interact. energy: -0.163
local terms energy: -451.273565
where:
bonds (distance) C4'-P energy: -86.569
bonds (distance) P-C4' energy: -90.031
flat angles C4'-P-C4' energy: -104.289
flat angles P-C4'-P energy: -57.927
tors. eta vs tors. theta energy: -112.457
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: 71
Temperature: 1.050000
Total energy: -1206.541321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.541321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.541321 (E_RNA)
where:
Base-Base interactions energy: -805.029
where: short stacking energy: -369.136
Base-Backbone interact. energy: -2.478
local terms energy: -399.034700
where:
bonds (distance) C4'-P energy: -75.218
bonds (distance) P-C4' energy: -78.283
flat angles C4'-P-C4' energy: -87.675
flat angles P-C4'-P energy: -62.134
tors. eta vs tors. theta energy: -95.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1179.404863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.404863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.404863 (E_RNA)
where:
Base-Base interactions energy: -780.743
where: short stacking energy: -368.539
Base-Backbone interact. energy: 1.908
local terms energy: -400.569618
where:
bonds (distance) C4'-P energy: -72.410
bonds (distance) P-C4' energy: -88.362
flat angles C4'-P-C4' energy: -92.265
flat angles P-C4'-P energy: -58.164
tors. eta vs tors. theta energy: -89.368
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: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1062.859898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.859898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.859898 (E_RNA)
where:
Base-Base interactions energy: -659.005
where: short stacking energy: -312.964
Base-Backbone interact. energy: 1.219
local terms energy: -405.073839
where:
bonds (distance) C4'-P energy: -95.336
bonds (distance) P-C4' energy: -89.767
flat angles C4'-P-C4' energy: -101.747
flat angles P-C4'-P energy: -50.541
tors. eta vs tors. theta energy: -67.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -914.370573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.370573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.370573 (E_RNA)
where:
Base-Base interactions energy: -579.318
where: short stacking energy: -304.607
Base-Backbone interact. energy: -0.027
local terms energy: -335.025726
where:
bonds (distance) C4'-P energy: -79.507
bonds (distance) P-C4' energy: -66.095
flat angles C4'-P-C4' energy: -77.903
flat angles P-C4'-P energy: -48.649
tors. eta vs tors. theta energy: -62.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -916.322344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.322344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.322344 (E_RNA)
where:
Base-Base interactions energy: -592.992
where: short stacking energy: -272.954
Base-Backbone interact. energy: 1.613
local terms energy: -324.943941
where:
bonds (distance) C4'-P energy: -77.277
bonds (distance) P-C4' energy: -75.810
flat angles C4'-P-C4' energy: -90.343
flat angles P-C4'-P energy: -27.829
tors. eta vs tors. theta energy: -53.684
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: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -722.435359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.435359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.435359 (E_RNA)
where:
Base-Base interactions energy: -436.152
where: short stacking energy: -214.423
Base-Backbone interact. energy: -1.101
local terms energy: -285.182366
where:
bonds (distance) C4'-P energy: -80.883
bonds (distance) P-C4' energy: -78.155
flat angles C4'-P-C4' energy: -70.919
flat angles P-C4'-P energy: -42.075
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -531.320456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.320456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.320456 (E_RNA)
where:
Base-Base interactions energy: -282.614
where: short stacking energy: -174.453
Base-Backbone interact. energy: -1.676
local terms energy: -247.030778
where:
bonds (distance) C4'-P energy: -76.305
bonds (distance) P-C4' energy: -85.118
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -41.067
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1543.338833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.338833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.338833 (E_RNA)
where:
Base-Base interactions energy: -1080.915
where: short stacking energy: -469.694
Base-Backbone interact. energy: -1.179
local terms energy: -461.244928
where:
bonds (distance) C4'-P energy: -78.192
bonds (distance) P-C4' energy: -83.056
flat angles C4'-P-C4' energy: -97.218
flat angles P-C4'-P energy: -65.811
tors. eta vs tors. theta energy: -136.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1462.787950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.787950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.787950 (E_RNA)
where:
Base-Base interactions energy: -982.535
where: short stacking energy: -431.781
Base-Backbone interact. energy: -1.390
local terms energy: -478.863495
where:
bonds (distance) C4'-P energy: -84.767
bonds (distance) P-C4' energy: -97.064
flat angles C4'-P-C4' energy: -103.555
flat angles P-C4'-P energy: -69.254
tors. eta vs tors. theta energy: -124.224
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: 72
Temperature: 1.000000
Total energy: -1333.364259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.364259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.364259 (E_RNA)
where:
Base-Base interactions energy: -880.589
where: short stacking energy: -422.742
Base-Backbone interact. energy: -1.979
local terms energy: -450.796036
where:
bonds (distance) C4'-P energy: -91.594
bonds (distance) P-C4' energy: -93.010
flat angles C4'-P-C4' energy: -91.221
flat angles P-C4'-P energy: -54.309
tors. eta vs tors. theta energy: -120.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1256.532252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.532252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.532252 (E_RNA)
where:
Base-Base interactions energy: -859.321
where: short stacking energy: -407.197
Base-Backbone interact. energy: -1.167
local terms energy: -396.043824
where:
bonds (distance) C4'-P energy: -68.881
bonds (distance) P-C4' energy: -70.746
flat angles C4'-P-C4' energy: -95.620
flat angles P-C4'-P energy: -55.913
tors. eta vs tors. theta energy: -104.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1144.822277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.822277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.822277 (E_RNA)
where:
Base-Base interactions energy: -742.903
where: short stacking energy: -324.082
Base-Backbone interact. energy: 0.305
local terms energy: -402.223686
where:
bonds (distance) C4'-P energy: -81.060
bonds (distance) P-C4' energy: -91.604
flat angles C4'-P-C4' energy: -98.635
flat angles P-C4'-P energy: -53.842
tors. eta vs tors. theta energy: -77.083
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: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1069.400434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.400434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.400434 (E_RNA)
where:
Base-Base interactions energy: -667.026
where: short stacking energy: -320.065
Base-Backbone interact. energy: -3.496
local terms energy: -398.878216
where:
bonds (distance) C4'-P energy: -68.520
bonds (distance) P-C4' energy: -94.150
flat angles C4'-P-C4' energy: -85.261
flat angles P-C4'-P energy: -59.043
tors. eta vs tors. theta energy: -91.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -969.654545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.654545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.654545 (E_RNA)
where:
Base-Base interactions energy: -619.883
where: short stacking energy: -280.168
Base-Backbone interact. energy: 1.438
local terms energy: -351.209608
where:
bonds (distance) C4'-P energy: -72.468
bonds (distance) P-C4' energy: -78.344
flat angles C4'-P-C4' energy: -87.022
flat angles P-C4'-P energy: -54.557
tors. eta vs tors. theta energy: -58.817
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: 72
Temperature: 1.250000
Total energy: -805.843114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.843114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.843114 (E_RNA)
where:
Base-Base interactions energy: -488.680
where: short stacking energy: -251.297
Base-Backbone interact. energy: -1.505
local terms energy: -315.658163
where:
bonds (distance) C4'-P energy: -75.766
bonds (distance) P-C4' energy: -63.816
flat angles C4'-P-C4' energy: -74.758
flat angles P-C4'-P energy: -48.060
tors. eta vs tors. theta energy: -53.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -717.499796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.499796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.499796 (E_RNA)
where:
Base-Base interactions energy: -433.478
where: short stacking energy: -205.289
Base-Backbone interact. energy: -1.249
local terms energy: -282.772943
where:
bonds (distance) C4'-P energy: -65.344
bonds (distance) P-C4' energy: -75.449
flat angles C4'-P-C4' energy: -85.043
flat angles P-C4'-P energy: -40.936
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -526.719157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.719157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.719157 (E_RNA)
where:
Base-Base interactions energy: -281.273
where: short stacking energy: -175.944
Base-Backbone interact. energy: 1.046
local terms energy: -246.492218
where:
bonds (distance) C4'-P energy: -62.840
bonds (distance) P-C4' energy: -76.202
flat angles C4'-P-C4' energy: -61.950
flat angles P-C4'-P energy: -30.588
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1530.909959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.909959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.909959 (E_RNA)
where:
Base-Base interactions energy: -1052.295
where: short stacking energy: -453.228
Base-Backbone interact. energy: -2.637
local terms energy: -475.977698
where:
bonds (distance) C4'-P energy: -95.648
bonds (distance) P-C4' energy: -93.960
flat angles C4'-P-C4' energy: -97.304
flat angles P-C4'-P energy: -70.313
tors. eta vs tors. theta energy: -118.753
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: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1463.927479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.927479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.927479 (E_RNA)
where:
Base-Base interactions energy: -993.682
where: short stacking energy: -443.830
Base-Backbone interact. energy: -1.394
local terms energy: -468.851209
where:
bonds (distance) C4'-P energy: -89.708
bonds (distance) P-C4' energy: -89.995
flat angles C4'-P-C4' energy: -96.294
flat angles P-C4'-P energy: -68.320
tors. eta vs tors. theta energy: -124.534
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: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1348.056211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.056211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.056211 (E_RNA)
where:
Base-Base interactions energy: -905.008
where: short stacking energy: -408.452
Base-Backbone interact. energy: 1.975
local terms energy: -445.023364
where:
bonds (distance) C4'-P energy: -79.903
bonds (distance) P-C4' energy: -96.644
flat angles C4'-P-C4' energy: -97.549
flat angles P-C4'-P energy: -51.384
tors. eta vs tors. theta energy: -119.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1234.589991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.589991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.589991 (E_RNA)
where:
Base-Base interactions energy: -819.129
where: short stacking energy: -376.161
Base-Backbone interact. energy: 0.210
local terms energy: -415.670156
where:
bonds (distance) C4'-P energy: -78.549
bonds (distance) P-C4' energy: -88.881
flat angles C4'-P-C4' energy: -95.584
flat angles P-C4'-P energy: -65.398
tors. eta vs tors. theta energy: -87.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1180.344263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.344263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.344263 (E_RNA)
where:
Base-Base interactions energy: -776.515
where: short stacking energy: -354.465
Base-Backbone interact. energy: 1.222
local terms energy: -405.051234
where:
bonds (distance) C4'-P energy: -78.159
bonds (distance) P-C4' energy: -75.700
flat angles C4'-P-C4' energy: -96.267
flat angles P-C4'-P energy: -64.019
tors. eta vs tors. theta energy: -90.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1027.773434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.773434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.773434 (E_RNA)
where:
Base-Base interactions energy: -650.267
where: short stacking energy: -285.956
Base-Backbone interact. energy: 0.327
local terms energy: -377.833542
where:
bonds (distance) C4'-P energy: -84.902
bonds (distance) P-C4' energy: -92.171
flat angles C4'-P-C4' energy: -92.020
flat angles P-C4'-P energy: -50.025
tors. eta vs tors. theta energy: -58.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -927.183914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.183914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.183914 (E_RNA)
where:
Base-Base interactions energy: -596.120
where: short stacking energy: -274.560
Base-Backbone interact. energy: -2.018
local terms energy: -329.045538
where:
bonds (distance) C4'-P energy: -69.170
bonds (distance) P-C4' energy: -79.156
flat angles C4'-P-C4' energy: -91.981
flat angles P-C4'-P energy: -37.554
tors. eta vs tors. theta energy: -51.184
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: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -841.021651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.021651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.021651 (E_RNA)
where:
Base-Base interactions energy: -516.200
where: short stacking energy: -243.598
Base-Backbone interact. energy: 1.533
local terms energy: -326.354568
where:
bonds (distance) C4'-P energy: -84.272
bonds (distance) P-C4' energy: -90.044
flat angles C4'-P-C4' energy: -69.441
flat angles P-C4'-P energy: -30.069
tors. eta vs tors. theta energy: -52.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -700.167584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.167584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.167584 (E_RNA)
where:
Base-Base interactions energy: -406.253
where: short stacking energy: -197.989
Base-Backbone interact. energy: 1.140
local terms energy: -295.054198
where:
bonds (distance) C4'-P energy: -72.889
bonds (distance) P-C4' energy: -74.095
flat angles C4'-P-C4' energy: -73.519
flat angles P-C4'-P energy: -55.528
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -526.227285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.227285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.227285 (E_RNA)
where:
Base-Base interactions energy: -295.186
where: short stacking energy: -153.099
Base-Backbone interact. energy: -0.735
local terms energy: -230.306819
where:
bonds (distance) C4'-P energy: -69.143
bonds (distance) P-C4' energy: -74.692
flat angles C4'-P-C4' energy: -47.325
flat angles P-C4'-P energy: -38.035
tors. eta vs tors. theta energy: -1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1519.057048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.057048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.057048 (E_RNA)
where:
Base-Base interactions energy: -1037.359
where: short stacking energy: -445.934
Base-Backbone interact. energy: -1.187
local terms energy: -480.511417
where:
bonds (distance) C4'-P energy: -98.061
bonds (distance) P-C4' energy: -92.385
flat angles C4'-P-C4' energy: -103.615
flat angles P-C4'-P energy: -63.826
tors. eta vs tors. theta energy: -122.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1468.238303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.238303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.238303 (E_RNA)
where:
Base-Base interactions energy: -1016.141
where: short stacking energy: -455.385
Base-Backbone interact. energy: -1.354
local terms energy: -450.742575
where:
bonds (distance) C4'-P energy: -72.228
bonds (distance) P-C4' energy: -82.852
flat angles C4'-P-C4' energy: -109.529
flat angles P-C4'-P energy: -62.272
tors. eta vs tors. theta energy: -123.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1325.651914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.651914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.651914 (E_RNA)
where:
Base-Base interactions energy: -882.933
where: short stacking energy: -420.169
Base-Backbone interact. energy: -1.148
local terms energy: -441.571329
where:
bonds (distance) C4'-P energy: -84.087
bonds (distance) P-C4' energy: -89.502
flat angles C4'-P-C4' energy: -90.767
flat angles P-C4'-P energy: -55.583
tors. eta vs tors. theta energy: -121.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1281.300598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.300598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.300598 (E_RNA)
where:
Base-Base interactions energy: -844.480
where: short stacking energy: -391.033
Base-Backbone interact. energy: -1.807
local terms energy: -435.014150
where:
bonds (distance) C4'-P energy: -87.741
bonds (distance) P-C4' energy: -95.320
flat angles C4'-P-C4' energy: -86.520
flat angles P-C4'-P energy: -62.029
tors. eta vs tors. theta energy: -103.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1168.689716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.689716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.689716 (E_RNA)
where:
Base-Base interactions energy: -772.927
where: short stacking energy: -355.099
Base-Backbone interact. energy: -1.666
local terms energy: -394.097049
where:
bonds (distance) C4'-P energy: -85.540
bonds (distance) P-C4' energy: -73.850
flat angles C4'-P-C4' energy: -91.433
flat angles P-C4'-P energy: -59.334
tors. eta vs tors. theta energy: -83.941
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: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1040.385439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.385439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.385439 (E_RNA)
where:
Base-Base interactions energy: -659.377
where: short stacking energy: -325.189
Base-Backbone interact. energy: 0.978
local terms energy: -381.985756
where:
bonds (distance) C4'-P energy: -79.057
bonds (distance) P-C4' energy: -83.433
flat angles C4'-P-C4' energy: -71.589
flat angles P-C4'-P energy: -65.661
tors. eta vs tors. theta energy: -82.246
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: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -968.899040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.899040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.899040 (E_RNA)
where:
Base-Base interactions energy: -630.282
where: short stacking energy: -290.630
Base-Backbone interact. energy: 0.390
local terms energy: -339.007006
where:
bonds (distance) C4'-P energy: -91.043
bonds (distance) P-C4' energy: -76.208
flat angles C4'-P-C4' energy: -75.653
flat angles P-C4'-P energy: -52.624
tors. eta vs tors. theta energy: -43.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -828.788062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.788062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.788062 (E_RNA)
where:
Base-Base interactions energy: -501.285
where: short stacking energy: -253.566
Base-Backbone interact. energy: 2.669
local terms energy: -330.171898
where:
bonds (distance) C4'-P energy: -70.902
bonds (distance) P-C4' energy: -81.125
flat angles C4'-P-C4' energy: -87.107
flat angles P-C4'-P energy: -41.354
tors. eta vs tors. theta energy: -49.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -768.190786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.190786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.190786 (E_RNA)
where:
Base-Base interactions energy: -455.571
where: short stacking energy: -206.649
Base-Backbone interact. energy: -0.359
local terms energy: -312.260643
where:
bonds (distance) C4'-P energy: -83.352
bonds (distance) P-C4' energy: -81.866
flat angles C4'-P-C4' energy: -65.259
flat angles P-C4'-P energy: -51.003
tors. eta vs tors. theta energy: -30.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -502.332016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.332016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.332016 (E_RNA)
where:
Base-Base interactions energy: -224.808
where: short stacking energy: -125.625
Base-Backbone interact. energy: -0.923
local terms energy: -276.601430
where:
bonds (distance) C4'-P energy: -77.437
bonds (distance) P-C4' energy: -88.616
flat angles C4'-P-C4' energy: -70.118
flat angles P-C4'-P energy: -31.082
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1522.952611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.952611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.952611 (E_RNA)
where:
Base-Base interactions energy: -1030.799
where: short stacking energy: -457.105
Base-Backbone interact. energy: -2.610
local terms energy: -489.544011
where:
bonds (distance) C4'-P energy: -101.296
bonds (distance) P-C4' energy: -88.400
flat angles C4'-P-C4' energy: -95.967
flat angles P-C4'-P energy: -74.131
tors. eta vs tors. theta energy: -129.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1467.077300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.077300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.077300 (E_RNA)
where:
Base-Base interactions energy: -1005.804
where: short stacking energy: -450.091
Base-Backbone interact. energy: -0.619
local terms energy: -460.654410
where:
bonds (distance) C4'-P energy: -93.280
bonds (distance) P-C4' energy: -81.294
flat angles C4'-P-C4' energy: -101.255
flat angles P-C4'-P energy: -63.151
tors. eta vs tors. theta energy: -121.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1352.814380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.814380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.814380 (E_RNA)
where:
Base-Base interactions energy: -893.702
where: short stacking energy: -430.591
Base-Backbone interact. energy: -3.420
local terms energy: -455.691672
where:
bonds (distance) C4'-P energy: -91.081
bonds (distance) P-C4' energy: -87.749
flat angles C4'-P-C4' energy: -99.180
flat angles P-C4'-P energy: -62.915
tors. eta vs tors. theta energy: -114.766
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: 75
Temperature: 1.050000
Total energy: -1231.449971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.449971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.449971 (E_RNA)
where:
Base-Base interactions energy: -830.645
where: short stacking energy: -374.723
Base-Backbone interact. energy: -2.260
local terms energy: -398.544918
where:
bonds (distance) C4'-P energy: -75.413
bonds (distance) P-C4' energy: -75.822
flat angles C4'-P-C4' energy: -100.808
flat angles P-C4'-P energy: -56.500
tors. eta vs tors. theta energy: -90.002
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: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1171.613303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.613303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.613303 (E_RNA)
where:
Base-Base interactions energy: -774.604
where: short stacking energy: -348.574
Base-Backbone interact. energy: -0.364
local terms energy: -396.645112
where:
bonds (distance) C4'-P energy: -81.659
bonds (distance) P-C4' energy: -90.009
flat angles C4'-P-C4' energy: -90.033
flat angles P-C4'-P energy: -49.261
tors. eta vs tors. theta energy: -85.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -982.318910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.318910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.318910 (E_RNA)
where:
Base-Base interactions energy: -616.200
where: short stacking energy: -289.260
Base-Backbone interact. energy: 0.044
local terms energy: -366.162231
where:
bonds (distance) C4'-P energy: -84.413
bonds (distance) P-C4' energy: -90.553
flat angles C4'-P-C4' energy: -84.675
flat angles P-C4'-P energy: -48.438
tors. eta vs tors. theta energy: -58.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -991.762024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.762024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.762024 (E_RNA)
where:
Base-Base interactions energy: -621.952
where: short stacking energy: -302.683
Base-Backbone interact. energy: 1.034
local terms energy: -370.843587
where:
bonds (distance) C4'-P energy: -85.948
bonds (distance) P-C4' energy: -89.115
flat angles C4'-P-C4' energy: -85.173
flat angles P-C4'-P energy: -36.002
tors. eta vs tors. theta energy: -74.605
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: 75
Temperature: 1.250000
Total energy: -836.511533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.511533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.511533 (E_RNA)
where:
Base-Base interactions energy: -494.980
where: short stacking energy: -255.755
Base-Backbone interact. energy: -0.402
local terms energy: -341.129330
where:
bonds (distance) C4'-P energy: -75.969
bonds (distance) P-C4' energy: -97.889
flat angles C4'-P-C4' energy: -69.553
flat angles P-C4'-P energy: -48.029
tors. eta vs tors. theta energy: -49.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -778.775395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.775395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.775395 (E_RNA)
where:
Base-Base interactions energy: -497.204
where: short stacking energy: -236.154
Base-Backbone interact. energy: 6.478
local terms energy: -288.048912
where:
bonds (distance) C4'-P energy: -66.016
bonds (distance) P-C4' energy: -65.402
flat angles C4'-P-C4' energy: -87.462
flat angles P-C4'-P energy: -31.011
tors. eta vs tors. theta energy: -38.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -601.318685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.318685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.318685 (E_RNA)
where:
Base-Base interactions energy: -332.343
where: short stacking energy: -172.825
Base-Backbone interact. energy: -1.278
local terms energy: -267.697569
where:
bonds (distance) C4'-P energy: -74.588
bonds (distance) P-C4' energy: -65.537
flat angles C4'-P-C4' energy: -79.848
flat angles P-C4'-P energy: -30.743
tors. eta vs tors. theta energy: -16.981
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: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1541.828804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.828804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.828804 (E_RNA)
where:
Base-Base interactions energy: -1073.607
where: short stacking energy: -453.524
Base-Backbone interact. energy: -3.592
local terms energy: -464.629444
where:
bonds (distance) C4'-P energy: -88.768
bonds (distance) P-C4' energy: -94.566
flat angles C4'-P-C4' energy: -87.886
flat angles P-C4'-P energy: -69.981
tors. eta vs tors. theta energy: -123.428
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: 76
Temperature: 0.950000
Total energy: -1452.438964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.438964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.438964 (E_RNA)
where:
Base-Base interactions energy: -992.094
where: short stacking energy: -454.725
Base-Backbone interact. energy: -1.035
local terms energy: -459.310211
where:
bonds (distance) C4'-P energy: -90.974
bonds (distance) P-C4' energy: -82.792
flat angles C4'-P-C4' energy: -92.640
flat angles P-C4'-P energy: -67.297
tors. eta vs tors. theta energy: -125.606
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: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1341.868442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.868442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.868442 (E_RNA)
where:
Base-Base interactions energy: -906.216
where: short stacking energy: -410.114
Base-Backbone interact. energy: -0.517
local terms energy: -435.135016
where:
bonds (distance) C4'-P energy: -84.030
bonds (distance) P-C4' energy: -82.031
flat angles C4'-P-C4' energy: -98.443
flat angles P-C4'-P energy: -60.196
tors. eta vs tors. theta energy: -110.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1273.121052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.121052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.121052 (E_RNA)
where:
Base-Base interactions energy: -872.549
where: short stacking energy: -399.373
Base-Backbone interact. energy: 1.617
local terms energy: -402.188517
where:
bonds (distance) C4'-P energy: -78.801
bonds (distance) P-C4' energy: -84.601
flat angles C4'-P-C4' energy: -85.314
flat angles P-C4'-P energy: -47.124
tors. eta vs tors. theta energy: -106.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1145.607802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.607802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.607802 (E_RNA)
where:
Base-Base interactions energy: -753.831
where: short stacking energy: -354.477
Base-Backbone interact. energy: -1.916
local terms energy: -389.861037
where:
bonds (distance) C4'-P energy: -85.448
bonds (distance) P-C4' energy: -86.771
flat angles C4'-P-C4' energy: -70.430
flat angles P-C4'-P energy: -56.821
tors. eta vs tors. theta energy: -90.391
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: 76
Temperature: 1.150000
Total energy: -988.353136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.353136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.353136 (E_RNA)
where:
Base-Base interactions energy: -612.901
where: short stacking energy: -291.378
Base-Backbone interact. energy: -0.586
local terms energy: -374.866104
where:
bonds (distance) C4'-P energy: -82.115
bonds (distance) P-C4' energy: -95.697
flat angles C4'-P-C4' energy: -76.297
flat angles P-C4'-P energy: -43.338
tors. eta vs tors. theta energy: -77.419
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: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -977.008482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.008482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.008482 (E_RNA)
where:
Base-Base interactions energy: -628.989
where: short stacking energy: -294.249
Base-Backbone interact. energy: -0.353
local terms energy: -347.666848
where:
bonds (distance) C4'-P energy: -64.635
bonds (distance) P-C4' energy: -77.306
flat angles C4'-P-C4' energy: -72.670
flat angles P-C4'-P energy: -67.679
tors. eta vs tors. theta energy: -65.376
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: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -804.785969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.785969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.785969 (E_RNA)
where:
Base-Base interactions energy: -471.348
where: short stacking energy: -228.573
Base-Backbone interact. energy: 0.360
local terms energy: -333.798317
where:
bonds (distance) C4'-P energy: -72.839
bonds (distance) P-C4' energy: -91.401
flat angles C4'-P-C4' energy: -71.713
flat angles P-C4'-P energy: -57.537
tors. eta vs tors. theta energy: -40.308
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: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -775.642228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.642228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.642228 (E_RNA)
where:
Base-Base interactions energy: -479.574
where: short stacking energy: -255.789
Base-Backbone interact. energy: 5.592
local terms energy: -301.660251
where:
bonds (distance) C4'-P energy: -70.542
bonds (distance) P-C4' energy: -82.661
flat angles C4'-P-C4' energy: -70.820
flat angles P-C4'-P energy: -38.221
tors. eta vs tors. theta energy: -39.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -602.279618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.279618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.279618 (E_RNA)
where:
Base-Base interactions energy: -345.274
where: short stacking energy: -161.179
Base-Backbone interact. energy: -2.587
local terms energy: -254.418110
where:
bonds (distance) C4'-P energy: -71.286
bonds (distance) P-C4' energy: -76.617
flat angles C4'-P-C4' energy: -60.809
flat angles P-C4'-P energy: -42.830
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1518.210653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.210653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.210653 (E_RNA)
where:
Base-Base interactions energy: -1031.706
where: short stacking energy: -461.205
Base-Backbone interact. energy: -1.997
local terms energy: -484.506745
where:
bonds (distance) C4'-P energy: -90.348
bonds (distance) P-C4' energy: -95.607
flat angles C4'-P-C4' energy: -92.621
flat angles P-C4'-P energy: -79.818
tors. eta vs tors. theta energy: -126.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1454.840286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.840286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.840286 (E_RNA)
where:
Base-Base interactions energy: -992.137
where: short stacking energy: -444.740
Base-Backbone interact. energy: -0.925
local terms energy: -461.778168
where:
bonds (distance) C4'-P energy: -92.904
bonds (distance) P-C4' energy: -83.267
flat angles C4'-P-C4' energy: -98.282
flat angles P-C4'-P energy: -70.231
tors. eta vs tors. theta energy: -117.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1343.508135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.508135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.508135 (E_RNA)
where:
Base-Base interactions energy: -903.715
where: short stacking energy: -414.152
Base-Backbone interact. energy: -1.589
local terms energy: -438.204332
where:
bonds (distance) C4'-P energy: -84.836
bonds (distance) P-C4' energy: -90.541
flat angles C4'-P-C4' energy: -89.526
flat angles P-C4'-P energy: -63.324
tors. eta vs tors. theta energy: -109.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1280.674934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.674934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.674934 (E_RNA)
where:
Base-Base interactions energy: -832.895
where: short stacking energy: -384.876
Base-Backbone interact. energy: -2.981
local terms energy: -444.798128
where:
bonds (distance) C4'-P energy: -90.785
bonds (distance) P-C4' energy: -93.860
flat angles C4'-P-C4' energy: -94.497
flat angles P-C4'-P energy: -57.991
tors. eta vs tors. theta energy: -107.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1164.257652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.257652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.257652 (E_RNA)
where:
Base-Base interactions energy: -771.106
where: short stacking energy: -344.127
Base-Backbone interact. energy: 2.475
local terms energy: -395.626331
where:
bonds (distance) C4'-P energy: -89.727
bonds (distance) P-C4' energy: -80.876
flat angles C4'-P-C4' energy: -93.324
flat angles P-C4'-P energy: -54.517
tors. eta vs tors. theta energy: -77.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1013.841439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.841439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.841439 (E_RNA)
where:
Base-Base interactions energy: -664.104
where: short stacking energy: -300.142
Base-Backbone interact. energy: 3.342
local terms energy: -353.079457
where:
bonds (distance) C4'-P energy: -67.883
bonds (distance) P-C4' energy: -93.200
flat angles C4'-P-C4' energy: -82.159
flat angles P-C4'-P energy: -45.236
tors. eta vs tors. theta energy: -64.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -969.424008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.424008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.424008 (E_RNA)
where:
Base-Base interactions energy: -614.075
where: short stacking energy: -292.512
Base-Backbone interact. energy: 0.559
local terms energy: -355.907446
where:
bonds (distance) C4'-P energy: -79.315
bonds (distance) P-C4' energy: -65.582
flat angles C4'-P-C4' energy: -91.606
flat angles P-C4'-P energy: -60.040
tors. eta vs tors. theta energy: -59.364
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: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -820.018224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.018224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.018224 (E_RNA)
where:
Base-Base interactions energy: -485.311
where: short stacking energy: -260.334
Base-Backbone interact. energy: 5.853
local terms energy: -340.559772
where:
bonds (distance) C4'-P energy: -88.368
bonds (distance) P-C4' energy: -63.440
flat angles C4'-P-C4' energy: -90.570
flat angles P-C4'-P energy: -40.358
tors. eta vs tors. theta energy: -57.823
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: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -748.163470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.163470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.163470 (E_RNA)
where:
Base-Base interactions energy: -427.963
where: short stacking energy: -216.142
Base-Backbone interact. energy: -0.051
local terms energy: -320.149751
where:
bonds (distance) C4'-P energy: -69.439
bonds (distance) P-C4' energy: -85.838
flat angles C4'-P-C4' energy: -87.604
flat angles P-C4'-P energy: -46.086
tors. eta vs tors. theta energy: -31.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -543.157980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.157980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.157980 (E_RNA)
where:
Base-Base interactions energy: -282.662
where: short stacking energy: -133.288
Base-Backbone interact. energy: -2.069
local terms energy: -258.426370
where:
bonds (distance) C4'-P energy: -64.177
bonds (distance) P-C4' energy: -77.332
flat angles C4'-P-C4' energy: -74.914
flat angles P-C4'-P energy: -53.458
tors. eta vs tors. theta energy: 11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1550.882992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.882992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.882992 (E_RNA)
where:
Base-Base interactions energy: -1088.242
where: short stacking energy: -463.581
Base-Backbone interact. energy: -1.241
local terms energy: -461.400061
where:
bonds (distance) C4'-P energy: -95.179
bonds (distance) P-C4' energy: -86.214
flat angles C4'-P-C4' energy: -92.125
flat angles P-C4'-P energy: -60.582
tors. eta vs tors. theta energy: -127.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1432.086317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.086317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.086317 (E_RNA)
where:
Base-Base interactions energy: -984.255
where: short stacking energy: -442.249
Base-Backbone interact. energy: -0.644
local terms energy: -447.187803
where:
bonds (distance) C4'-P energy: -90.922
bonds (distance) P-C4' energy: -75.107
flat angles C4'-P-C4' energy: -102.569
flat angles P-C4'-P energy: -63.798
tors. eta vs tors. theta energy: -114.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1339.948530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.948530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.948530 (E_RNA)
where:
Base-Base interactions energy: -892.219
where: short stacking energy: -432.150
Base-Backbone interact. energy: -0.398
local terms energy: -447.332104
where:
bonds (distance) C4'-P energy: -89.788
bonds (distance) P-C4' energy: -82.050
flat angles C4'-P-C4' energy: -94.883
flat angles P-C4'-P energy: -63.725
tors. eta vs tors. theta energy: -116.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1300.006706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.006706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.006706 (E_RNA)
where:
Base-Base interactions energy: -850.767
where: short stacking energy: -374.816
Base-Backbone interact. energy: -1.975
local terms energy: -447.265039
where:
bonds (distance) C4'-P energy: -96.455
bonds (distance) P-C4' energy: -96.720
flat angles C4'-P-C4' energy: -99.924
flat angles P-C4'-P energy: -63.262
tors. eta vs tors. theta energy: -90.905
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: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1164.321594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.321594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.321594 (E_RNA)
where:
Base-Base interactions energy: -788.876
where: short stacking energy: -345.434
Base-Backbone interact. energy: -1.251
local terms energy: -374.194443
where:
bonds (distance) C4'-P energy: -65.829
bonds (distance) P-C4' energy: -92.997
flat angles C4'-P-C4' energy: -84.780
flat angles P-C4'-P energy: -57.037
tors. eta vs tors. theta energy: -73.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1007.448768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.448768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.448768 (E_RNA)
where:
Base-Base interactions energy: -653.279
where: short stacking energy: -299.426
Base-Backbone interact. energy: -1.859
local terms energy: -352.309962
where:
bonds (distance) C4'-P energy: -79.456
bonds (distance) P-C4' energy: -81.612
flat angles C4'-P-C4' energy: -85.796
flat angles P-C4'-P energy: -36.794
tors. eta vs tors. theta energy: -68.652
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: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1008.516167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.516167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.516167 (E_RNA)
where:
Base-Base interactions energy: -657.145
where: short stacking energy: -301.038
Base-Backbone interact. energy: -2.994
local terms energy: -348.376769
where:
bonds (distance) C4'-P energy: -68.521
bonds (distance) P-C4' energy: -78.127
flat angles C4'-P-C4' energy: -70.413
flat angles P-C4'-P energy: -59.833
tors. eta vs tors. theta energy: -71.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -794.301568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.301568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.301568 (E_RNA)
where:
Base-Base interactions energy: -497.930
where: short stacking energy: -247.599
Base-Backbone interact. energy: 2.293
local terms energy: -298.664122
where:
bonds (distance) C4'-P energy: -89.227
bonds (distance) P-C4' energy: -64.030
flat angles C4'-P-C4' energy: -65.319
flat angles P-C4'-P energy: -44.682
tors. eta vs tors. theta energy: -35.407
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: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -754.912289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.912289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.912289 (E_RNA)
where:
Base-Base interactions energy: -468.588
where: short stacking energy: -211.627
Base-Backbone interact. energy: -2.052
local terms energy: -284.272327
where:
bonds (distance) C4'-P energy: -72.317
bonds (distance) P-C4' energy: -68.354
flat angles C4'-P-C4' energy: -75.447
flat angles P-C4'-P energy: -41.634
tors. eta vs tors. theta energy: -26.521
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: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -540.038215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.038215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.038215 (E_RNA)
where:
Base-Base interactions energy: -275.092
where: short stacking energy: -148.982
Base-Backbone interact. energy: 0.038
local terms energy: -264.984324
where:
bonds (distance) C4'-P energy: -76.145
bonds (distance) P-C4' energy: -66.260
flat angles C4'-P-C4' energy: -67.136
flat angles P-C4'-P energy: -47.783
tors. eta vs tors. theta energy: -7.660
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: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1547.183579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.183579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.183579 (E_RNA)
where:
Base-Base interactions energy: -1067.879
where: short stacking energy: -462.344
Base-Backbone interact. energy: -2.266
local terms energy: -477.038931
where:
bonds (distance) C4'-P energy: -91.155
bonds (distance) P-C4' energy: -87.368
flat angles C4'-P-C4' energy: -102.445
flat angles P-C4'-P energy: -67.855
tors. eta vs tors. theta energy: -128.216
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: 79
Temperature: 0.950000
Total energy: -1436.999061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.999061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.999061 (E_RNA)
where:
Base-Base interactions energy: -978.410
where: short stacking energy: -415.861
Base-Backbone interact. energy: -2.332
local terms energy: -456.257145
where:
bonds (distance) C4'-P energy: -85.056
bonds (distance) P-C4' energy: -90.144
flat angles C4'-P-C4' energy: -101.353
flat angles P-C4'-P energy: -72.011
tors. eta vs tors. theta energy: -107.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1335.617793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.617793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.617793 (E_RNA)
where:
Base-Base interactions energy: -896.390
where: short stacking energy: -405.622
Base-Backbone interact. energy: -1.799
local terms energy: -437.428544
where:
bonds (distance) C4'-P energy: -87.623
bonds (distance) P-C4' energy: -88.251
flat angles C4'-P-C4' energy: -91.941
flat angles P-C4'-P energy: -60.973
tors. eta vs tors. theta energy: -108.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1288.527166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.527166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.527166 (E_RNA)
where:
Base-Base interactions energy: -879.057
where: short stacking energy: -399.891
Base-Backbone interact. energy: -1.588
local terms energy: -407.882443
where:
bonds (distance) C4'-P energy: -76.552
bonds (distance) P-C4' energy: -85.106
flat angles C4'-P-C4' energy: -93.287
flat angles P-C4'-P energy: -48.320
tors. eta vs tors. theta energy: -104.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1185.801830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.801830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.801830 (E_RNA)
where:
Base-Base interactions energy: -783.609
where: short stacking energy: -348.227
Base-Backbone interact. energy: 6.523
local terms energy: -408.714982
where:
bonds (distance) C4'-P energy: -87.276
bonds (distance) P-C4' energy: -80.553
flat angles C4'-P-C4' energy: -92.811
flat angles P-C4'-P energy: -63.188
tors. eta vs tors. theta energy: -84.887
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: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1010.147270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.147270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.147270 (E_RNA)
where:
Base-Base interactions energy: -632.237
where: short stacking energy: -290.490
Base-Backbone interact. energy: -2.376
local terms energy: -375.533976
where:
bonds (distance) C4'-P energy: -83.649
bonds (distance) P-C4' energy: -93.855
flat angles C4'-P-C4' energy: -78.732
flat angles P-C4'-P energy: -53.762
tors. eta vs tors. theta energy: -65.536
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: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -963.322288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.322288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.322288 (E_RNA)
where:
Base-Base interactions energy: -604.474
where: short stacking energy: -283.107
Base-Backbone interact. energy: 0.649
local terms energy: -359.497011
where:
bonds (distance) C4'-P energy: -79.708
bonds (distance) P-C4' energy: -82.691
flat angles C4'-P-C4' energy: -85.140
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -60.947
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: 79
Temperature: 1.250000
Total energy: -825.919665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.919665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.919665 (E_RNA)
where:
Base-Base interactions energy: -499.095
where: short stacking energy: -239.571
Base-Backbone interact. energy: 2.884
local terms energy: -329.709480
where:
bonds (distance) C4'-P energy: -93.341
bonds (distance) P-C4' energy: -76.219
flat angles C4'-P-C4' energy: -78.104
flat angles P-C4'-P energy: -44.237
tors. eta vs tors. theta energy: -37.808
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: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -734.734961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.734961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.734961 (E_RNA)
where:
Base-Base interactions energy: -440.193
where: short stacking energy: -211.764
Base-Backbone interact. energy: -4.605
local terms energy: -289.937196
where:
bonds (distance) C4'-P energy: -80.676
bonds (distance) P-C4' energy: -76.200
flat angles C4'-P-C4' energy: -69.748
flat angles P-C4'-P energy: -33.475
tors. eta vs tors. theta energy: -29.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -567.938309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.938309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.938309 (E_RNA)
where:
Base-Base interactions energy: -316.496
where: short stacking energy: -178.036
Base-Backbone interact. energy: 2.366
local terms energy: -253.808388
where:
bonds (distance) C4'-P energy: -76.006
bonds (distance) P-C4' energy: -66.345
flat angles C4'-P-C4' energy: -75.936
flat angles P-C4'-P energy: -30.872
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1543.077450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.077450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.077450 (E_RNA)
where:
Base-Base interactions energy: -1053.424
where: short stacking energy: -463.464
Base-Backbone interact. energy: -2.243
local terms energy: -487.411013
where:
bonds (distance) C4'-P energy: -94.358
bonds (distance) P-C4' energy: -96.339
flat angles C4'-P-C4' energy: -96.377
flat angles P-C4'-P energy: -72.254
tors. eta vs tors. theta energy: -128.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1461.100393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.100393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.100393 (E_RNA)
where:
Base-Base interactions energy: -1017.302
where: short stacking energy: -431.221
Base-Backbone interact. energy: 1.802
local terms energy: -445.600273
where:
bonds (distance) C4'-P energy: -74.827
bonds (distance) P-C4' energy: -84.162
flat angles C4'-P-C4' energy: -101.333
flat angles P-C4'-P energy: -65.083
tors. eta vs tors. theta energy: -120.195
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: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1340.222812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.222812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.222812 (E_RNA)
where:
Base-Base interactions energy: -885.595
where: short stacking energy: -419.784
Base-Backbone interact. energy: -2.460
local terms energy: -452.167893
where:
bonds (distance) C4'-P energy: -92.443
bonds (distance) P-C4' energy: -93.668
flat angles C4'-P-C4' energy: -95.318
flat angles P-C4'-P energy: -57.545
tors. eta vs tors. theta energy: -113.195
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: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1277.831273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.831273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.831273 (E_RNA)
where:
Base-Base interactions energy: -845.484
where: short stacking energy: -369.141
Base-Backbone interact. energy: -3.140
local terms energy: -429.207051
where:
bonds (distance) C4'-P energy: -83.918
bonds (distance) P-C4' energy: -86.906
flat angles C4'-P-C4' energy: -97.085
flat angles P-C4'-P energy: -68.794
tors. eta vs tors. theta energy: -92.505
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: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1181.491562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.491562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.491562 (E_RNA)
where:
Base-Base interactions energy: -768.831
where: short stacking energy: -340.679
Base-Backbone interact. energy: -3.473
local terms energy: -409.187551
where:
bonds (distance) C4'-P energy: -76.048
bonds (distance) P-C4' energy: -83.943
flat angles C4'-P-C4' energy: -97.427
flat angles P-C4'-P energy: -55.130
tors. eta vs tors. theta energy: -96.640
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: 80
Temperature: 1.150000
Total energy: -1010.104531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.104531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.104531 (E_RNA)
where:
Base-Base interactions energy: -657.305
where: short stacking energy: -329.235
Base-Backbone interact. energy: 0.852
local terms energy: -353.651909
where:
bonds (distance) C4'-P energy: -70.604
bonds (distance) P-C4' energy: -70.052
flat angles C4'-P-C4' energy: -84.864
flat angles P-C4'-P energy: -58.356
tors. eta vs tors. theta energy: -69.777
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: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -978.383956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.383956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.383956 (E_RNA)
where:
Base-Base interactions energy: -627.845
where: short stacking energy: -301.742
Base-Backbone interact. energy: -0.812
local terms energy: -349.727038
where:
bonds (distance) C4'-P energy: -72.519
bonds (distance) P-C4' energy: -84.921
flat angles C4'-P-C4' energy: -80.587
flat angles P-C4'-P energy: -51.863
tors. eta vs tors. theta energy: -59.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -779.377309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.377309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.377309 (E_RNA)
where:
Base-Base interactions energy: -462.873
where: short stacking energy: -219.126
Base-Backbone interact. energy: 3.674
local terms energy: -320.177601
where:
bonds (distance) C4'-P energy: -77.040
bonds (distance) P-C4' energy: -92.981
flat angles C4'-P-C4' energy: -79.741
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -728.979314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.979314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.979314 (E_RNA)
where:
Base-Base interactions energy: -428.708
where: short stacking energy: -219.213
Base-Backbone interact. energy: 2.176
local terms energy: -302.447375
where:
bonds (distance) C4'-P energy: -65.434
bonds (distance) P-C4' energy: -68.715
flat angles C4'-P-C4' energy: -83.034
flat angles P-C4'-P energy: -49.917
tors. eta vs tors. theta energy: -35.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -539.938077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.938077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.938077 (E_RNA)
where:
Base-Base interactions energy: -275.986
where: short stacking energy: -122.352
Base-Backbone interact. energy: -0.574
local terms energy: -263.378637
where:
bonds (distance) C4'-P energy: -78.217
bonds (distance) P-C4' energy: -78.717
flat angles C4'-P-C4' energy: -64.797
flat angles P-C4'-P energy: -43.901
tors. eta vs tors. theta energy: 2.254
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: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1530.998312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.998312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.998312 (E_RNA)
where:
Base-Base interactions energy: -1074.330
where: short stacking energy: -445.281
Base-Backbone interact. energy: -1.396
local terms energy: -455.272610
where:
bonds (distance) C4'-P energy: -87.329
bonds (distance) P-C4' energy: -86.791
flat angles C4'-P-C4' energy: -94.266
flat angles P-C4'-P energy: -68.970
tors. eta vs tors. theta energy: -117.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1407.986941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.986941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.986941 (E_RNA)
where:
Base-Base interactions energy: -962.628
where: short stacking energy: -406.694
Base-Backbone interact. energy: -2.488
local terms energy: -442.870755
where:
bonds (distance) C4'-P energy: -89.109
bonds (distance) P-C4' energy: -84.073
flat angles C4'-P-C4' energy: -99.427
flat angles P-C4'-P energy: -48.965
tors. eta vs tors. theta energy: -121.297
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: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1348.483598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.483598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.483598 (E_RNA)
where:
Base-Base interactions energy: -886.654
where: short stacking energy: -414.309
Base-Backbone interact. energy: -1.873
local terms energy: -459.955965
where:
bonds (distance) C4'-P energy: -81.652
bonds (distance) P-C4' energy: -93.117
flat angles C4'-P-C4' energy: -101.413
flat angles P-C4'-P energy: -66.688
tors. eta vs tors. theta energy: -117.086
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: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1260.858482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.858482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.858482 (E_RNA)
where:
Base-Base interactions energy: -833.525
where: short stacking energy: -369.727
Base-Backbone interact. energy: -3.564
local terms energy: -423.769417
where:
bonds (distance) C4'-P energy: -78.638
bonds (distance) P-C4' energy: -84.682
flat angles C4'-P-C4' energy: -97.439
flat angles P-C4'-P energy: -63.888
tors. eta vs tors. theta energy: -99.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1140.058042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.058042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.058042 (E_RNA)
where:
Base-Base interactions energy: -732.198
where: short stacking energy: -326.359
Base-Backbone interact. energy: 0.161
local terms energy: -408.021006
where:
bonds (distance) C4'-P energy: -87.982
bonds (distance) P-C4' energy: -80.577
flat angles C4'-P-C4' energy: -98.317
flat angles P-C4'-P energy: -66.233
tors. eta vs tors. theta energy: -74.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1026.730974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.730974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.730974 (E_RNA)
where:
Base-Base interactions energy: -687.790
where: short stacking energy: -265.801
Base-Backbone interact. energy: -2.870
local terms energy: -336.071175
where:
bonds (distance) C4'-P energy: -78.187
bonds (distance) P-C4' energy: -79.754
flat angles C4'-P-C4' energy: -98.218
flat angles P-C4'-P energy: -32.227
tors. eta vs tors. theta energy: -47.685
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: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -974.905325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.905325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.905325 (E_RNA)
where:
Base-Base interactions energy: -657.872
where: short stacking energy: -315.312
Base-Backbone interact. energy: 0.065
local terms energy: -317.098417
where:
bonds (distance) C4'-P energy: -55.849
bonds (distance) P-C4' energy: -74.559
flat angles C4'-P-C4' energy: -64.396
flat angles P-C4'-P energy: -61.623
tors. eta vs tors. theta energy: -60.671
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: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -852.605930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.605930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.605930 (E_RNA)
where:
Base-Base interactions energy: -508.679
where: short stacking energy: -229.542
Base-Backbone interact. energy: -1.143
local terms energy: -342.783586
where:
bonds (distance) C4'-P energy: -75.290
bonds (distance) P-C4' energy: -82.153
flat angles C4'-P-C4' energy: -86.393
flat angles P-C4'-P energy: -53.951
tors. eta vs tors. theta energy: -44.996
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: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -741.251089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.251089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.251089 (E_RNA)
where:
Base-Base interactions energy: -459.170
where: short stacking energy: -216.749
Base-Backbone interact. energy: -1.349
local terms energy: -280.732145
where:
bonds (distance) C4'-P energy: -71.540
bonds (distance) P-C4' energy: -80.283
flat angles C4'-P-C4' energy: -70.200
flat angles P-C4'-P energy: -46.435
tors. eta vs tors. theta energy: -12.274
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: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -572.420321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.420321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.420321 (E_RNA)
where:
Base-Base interactions energy: -282.325
where: short stacking energy: -156.770
Base-Backbone interact. energy: 2.743
local terms energy: -292.838140
where:
bonds (distance) C4'-P energy: -76.956
bonds (distance) P-C4' energy: -68.258
flat angles C4'-P-C4' energy: -76.654
flat angles P-C4'-P energy: -53.024
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: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1531.045246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.045246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.045246 (E_RNA)
where:
Base-Base interactions energy: -1068.638
where: short stacking energy: -480.730
Base-Backbone interact. energy: -1.669
local terms energy: -460.738676
where:
bonds (distance) C4'-P energy: -89.179
bonds (distance) P-C4' energy: -91.462
flat angles C4'-P-C4' energy: -91.737
flat angles P-C4'-P energy: -60.687
tors. eta vs tors. theta energy: -127.674
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: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1440.706984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.706984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.706984 (E_RNA)
where:
Base-Base interactions energy: -987.470
where: short stacking energy: -402.823
Base-Backbone interact. energy: -4.509
local terms energy: -448.728697
where:
bonds (distance) C4'-P energy: -95.448
bonds (distance) P-C4' energy: -94.993
flat angles C4'-P-C4' energy: -93.787
flat angles P-C4'-P energy: -56.009
tors. eta vs tors. theta energy: -108.491
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: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1346.808940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.808940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.808940 (E_RNA)
where:
Base-Base interactions energy: -909.256
where: short stacking energy: -406.462
Base-Backbone interact. energy: 1.693
local terms energy: -439.245689
where:
bonds (distance) C4'-P energy: -73.049
bonds (distance) P-C4' energy: -91.112
flat angles C4'-P-C4' energy: -96.142
flat angles P-C4'-P energy: -65.936
tors. eta vs tors. theta energy: -113.007
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: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1311.888971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.888971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.888971 (E_RNA)
where:
Base-Base interactions energy: -864.723
where: short stacking energy: -411.660
Base-Backbone interact. energy: -1.956
local terms energy: -445.209691
where:
bonds (distance) C4'-P energy: -83.894
bonds (distance) P-C4' energy: -91.890
flat angles C4'-P-C4' energy: -84.791
flat angles P-C4'-P energy: -64.137
tors. eta vs tors. theta energy: -120.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1189.305245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.305245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.305245 (E_RNA)
where:
Base-Base interactions energy: -785.156
where: short stacking energy: -350.148
Base-Backbone interact. energy: -2.000
local terms energy: -402.149167
where:
bonds (distance) C4'-P energy: -82.266
bonds (distance) P-C4' energy: -72.320
flat angles C4'-P-C4' energy: -93.658
flat angles P-C4'-P energy: -61.519
tors. eta vs tors. theta energy: -92.386
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: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1015.621660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.621660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.621660 (E_RNA)
where:
Base-Base interactions energy: -663.450
where: short stacking energy: -307.564
Base-Backbone interact. energy: -0.846
local terms energy: -351.325757
where:
bonds (distance) C4'-P energy: -76.172
bonds (distance) P-C4' energy: -63.380
flat angles C4'-P-C4' energy: -90.113
flat angles P-C4'-P energy: -60.820
tors. eta vs tors. theta energy: -60.841
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: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -921.355449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.355449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.355449 (E_RNA)
where:
Base-Base interactions energy: -570.243
where: short stacking energy: -274.899
Base-Backbone interact. energy: -1.328
local terms energy: -349.784439
where:
bonds (distance) C4'-P energy: -82.530
bonds (distance) P-C4' energy: -86.433
flat angles C4'-P-C4' energy: -78.535
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: -60.594
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: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -827.779977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.779977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.779977 (E_RNA)
where:
Base-Base interactions energy: -516.677
where: short stacking energy: -268.520
Base-Backbone interact. energy: 2.267
local terms energy: -313.369889
where:
bonds (distance) C4'-P energy: -74.533
bonds (distance) P-C4' energy: -73.323
flat angles C4'-P-C4' energy: -74.333
flat angles P-C4'-P energy: -39.513
tors. eta vs tors. theta energy: -51.667
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: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -742.833406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.833406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.833406 (E_RNA)
where:
Base-Base interactions energy: -439.193
where: short stacking energy: -215.777
Base-Backbone interact. energy: -2.497
local terms energy: -301.143713
where:
bonds (distance) C4'-P energy: -75.593
bonds (distance) P-C4' energy: -78.503
flat angles C4'-P-C4' energy: -76.252
flat angles P-C4'-P energy: -45.517
tors. eta vs tors. theta energy: -25.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -570.573554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.573554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.573554 (E_RNA)
where:
Base-Base interactions energy: -329.049
where: short stacking energy: -200.018
Base-Backbone interact. energy: 1.742
local terms energy: -243.266724
where:
bonds (distance) C4'-P energy: -47.954
bonds (distance) P-C4' energy: -82.408
flat angles C4'-P-C4' energy: -68.796
flat angles P-C4'-P energy: -38.467
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1528.474729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.474729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.474729 (E_RNA)
where:
Base-Base interactions energy: -1047.570
where: short stacking energy: -475.213
Base-Backbone interact. energy: -2.127
local terms energy: -478.777674
where:
bonds (distance) C4'-P energy: -93.772
bonds (distance) P-C4' energy: -81.981
flat angles C4'-P-C4' energy: -110.587
flat angles P-C4'-P energy: -71.038
tors. eta vs tors. theta energy: -121.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1423.510326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.510326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.510326 (E_RNA)
where:
Base-Base interactions energy: -981.799
where: short stacking energy: -426.693
Base-Backbone interact. energy: -2.039
local terms energy: -439.672518
where:
bonds (distance) C4'-P energy: -84.895
bonds (distance) P-C4' energy: -88.504
flat angles C4'-P-C4' energy: -90.153
flat angles P-C4'-P energy: -61.599
tors. eta vs tors. theta energy: -114.520
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: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1383.018131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.018131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.018131 (E_RNA)
where:
Base-Base interactions energy: -943.110
where: short stacking energy: -414.014
Base-Backbone interact. energy: 0.471
local terms energy: -440.379455
where:
bonds (distance) C4'-P energy: -81.596
bonds (distance) P-C4' energy: -91.492
flat angles C4'-P-C4' energy: -100.304
flat angles P-C4'-P energy: -55.902
tors. eta vs tors. theta energy: -111.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1306.713521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.713521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.713521 (E_RNA)
where:
Base-Base interactions energy: -872.976
where: short stacking energy: -429.461
Base-Backbone interact. energy: -0.057
local terms energy: -433.680087
where:
bonds (distance) C4'-P energy: -82.116
bonds (distance) P-C4' energy: -84.930
flat angles C4'-P-C4' energy: -89.916
flat angles P-C4'-P energy: -56.935
tors. eta vs tors. theta energy: -119.784
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: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1168.605679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.605679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.605679 (E_RNA)
where:
Base-Base interactions energy: -757.599
where: short stacking energy: -347.179
Base-Backbone interact. energy: -1.934
local terms energy: -409.072022
where:
bonds (distance) C4'-P energy: -79.199
bonds (distance) P-C4' energy: -83.335
flat angles C4'-P-C4' energy: -101.874
flat angles P-C4'-P energy: -61.360
tors. eta vs tors. theta energy: -83.304
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: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1052.690897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.690897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.690897 (E_RNA)
where:
Base-Base interactions energy: -694.167
where: short stacking energy: -311.917
Base-Backbone interact. energy: 2.380
local terms energy: -360.903527
where:
bonds (distance) C4'-P energy: -73.199
bonds (distance) P-C4' energy: -76.319
flat angles C4'-P-C4' energy: -91.489
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: -77.241
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: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -984.009433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.009433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.009433 (E_RNA)
where:
Base-Base interactions energy: -638.320
where: short stacking energy: -306.568
Base-Backbone interact. energy: 0.372
local terms energy: -346.061327
where:
bonds (distance) C4'-P energy: -73.333
bonds (distance) P-C4' energy: -95.035
flat angles C4'-P-C4' energy: -83.470
flat angles P-C4'-P energy: -42.586
tors. eta vs tors. theta energy: -51.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -853.758000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.758000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.758000 (E_RNA)
where:
Base-Base interactions energy: -539.345
where: short stacking energy: -256.196
Base-Backbone interact. energy: -1.600
local terms energy: -312.812765
where:
bonds (distance) C4'-P energy: -54.335
bonds (distance) P-C4' energy: -95.137
flat angles C4'-P-C4' energy: -72.815
flat angles P-C4'-P energy: -45.039
tors. eta vs tors. theta energy: -45.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -724.336377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.336377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.336377 (E_RNA)
where:
Base-Base interactions energy: -411.238
where: short stacking energy: -212.275
Base-Backbone interact. energy: 1.104
local terms energy: -314.202827
where:
bonds (distance) C4'-P energy: -51.641
bonds (distance) P-C4' energy: -91.721
flat angles C4'-P-C4' energy: -79.164
flat angles P-C4'-P energy: -49.189
tors. eta vs tors. theta energy: -42.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -614.287371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.287371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.287371 (E_RNA)
where:
Base-Base interactions energy: -334.474
where: short stacking energy: -192.615
Base-Backbone interact. energy: -1.969
local terms energy: -277.843921
where:
bonds (distance) C4'-P energy: -60.338
bonds (distance) P-C4' energy: -86.898
flat angles C4'-P-C4' energy: -61.585
flat angles P-C4'-P energy: -41.274
tors. eta vs tors. theta energy: -27.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1558.911156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.911156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.911156 (E_RNA)
where:
Base-Base interactions energy: -1074.560
where: short stacking energy: -476.079
Base-Backbone interact. energy: -1.392
local terms energy: -482.959445
where:
bonds (distance) C4'-P energy: -80.349
bonds (distance) P-C4' energy: -99.428
flat angles C4'-P-C4' energy: -100.824
flat angles P-C4'-P energy: -65.633
tors. eta vs tors. theta energy: -136.725
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: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1482.359687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.359687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.359687 (E_RNA)
where:
Base-Base interactions energy: -1007.014
where: short stacking energy: -431.813
Base-Backbone interact. energy: -1.465
local terms energy: -473.879871
where:
bonds (distance) C4'-P energy: -86.142
bonds (distance) P-C4' energy: -94.090
flat angles C4'-P-C4' energy: -99.794
flat angles P-C4'-P energy: -71.874
tors. eta vs tors. theta energy: -121.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1376.817173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.817173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.817173 (E_RNA)
where:
Base-Base interactions energy: -932.288
where: short stacking energy: -428.231
Base-Backbone interact. energy: -2.061
local terms energy: -442.467742
where:
bonds (distance) C4'-P energy: -72.317
bonds (distance) P-C4' energy: -90.701
flat angles C4'-P-C4' energy: -102.379
flat angles P-C4'-P energy: -62.309
tors. eta vs tors. theta energy: -114.762
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: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1300.518043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.518043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.518043 (E_RNA)
where:
Base-Base interactions energy: -846.783
where: short stacking energy: -383.730
Base-Backbone interact. energy: -1.937
local terms energy: -451.797376
where:
bonds (distance) C4'-P energy: -91.902
bonds (distance) P-C4' energy: -90.415
flat angles C4'-P-C4' energy: -98.219
flat angles P-C4'-P energy: -60.255
tors. eta vs tors. theta energy: -111.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1189.007632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.007632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.007632 (E_RNA)
where:
Base-Base interactions energy: -790.404
where: short stacking energy: -384.742
Base-Backbone interact. energy: -2.264
local terms energy: -396.339628
where:
bonds (distance) C4'-P energy: -80.471
bonds (distance) P-C4' energy: -70.439
flat angles C4'-P-C4' energy: -88.803
flat angles P-C4'-P energy: -64.662
tors. eta vs tors. theta energy: -91.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1058.747321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.747321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.747321 (E_RNA)
where:
Base-Base interactions energy: -691.079
where: short stacking energy: -316.063
Base-Backbone interact. energy: 0.331
local terms energy: -367.999557
where:
bonds (distance) C4'-P energy: -72.675
bonds (distance) P-C4' energy: -79.085
flat angles C4'-P-C4' energy: -83.159
flat angles P-C4'-P energy: -69.335
tors. eta vs tors. theta energy: -63.745
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: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -951.394776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.394776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.394776 (E_RNA)
where:
Base-Base interactions energy: -604.439
where: short stacking energy: -288.373
Base-Backbone interact. energy: -0.498
local terms energy: -346.458654
where:
bonds (distance) C4'-P energy: -71.623
bonds (distance) P-C4' energy: -88.527
flat angles C4'-P-C4' energy: -75.019
flat angles P-C4'-P energy: -53.190
tors. eta vs tors. theta energy: -58.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -824.906841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.906841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.906841 (E_RNA)
where:
Base-Base interactions energy: -509.090
where: short stacking energy: -236.820
Base-Backbone interact. energy: -3.046
local terms energy: -312.770589
where:
bonds (distance) C4'-P energy: -79.586
bonds (distance) P-C4' energy: -71.927
flat angles C4'-P-C4' energy: -69.032
flat angles P-C4'-P energy: -48.080
tors. eta vs tors. theta energy: -44.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -742.713174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.713174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.713174 (E_RNA)
where:
Base-Base interactions energy: -446.409
where: short stacking energy: -204.462
Base-Backbone interact. energy: -1.740
local terms energy: -294.564201
where:
bonds (distance) C4'-P energy: -64.861
bonds (distance) P-C4' energy: -91.020
flat angles C4'-P-C4' energy: -73.558
flat angles P-C4'-P energy: -31.612
tors. eta vs tors. theta energy: -33.513
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: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -567.688146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.688146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.688146 (E_RNA)
where:
Base-Base interactions energy: -310.241
where: short stacking energy: -161.706
Base-Backbone interact. energy: 1.368
local terms energy: -258.815125
where:
bonds (distance) C4'-P energy: -69.500
bonds (distance) P-C4' energy: -75.157
flat angles C4'-P-C4' energy: -58.550
flat angles P-C4'-P energy: -42.087
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1550.433495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.433495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.433495 (E_RNA)
where:
Base-Base interactions energy: -1039.449
where: short stacking energy: -458.624
Base-Backbone interact. energy: -1.888
local terms energy: -509.097353
where:
bonds (distance) C4'-P energy: -97.960
bonds (distance) P-C4' energy: -101.924
flat angles C4'-P-C4' energy: -98.490
flat angles P-C4'-P energy: -75.282
tors. eta vs tors. theta energy: -135.440
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: 85
Temperature: 0.950000
Total energy: -1447.503607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.503607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.503607 (E_RNA)
where:
Base-Base interactions energy: -992.928
where: short stacking energy: -429.349
Base-Backbone interact. energy: -2.791
local terms energy: -451.784695
where:
bonds (distance) C4'-P energy: -94.322
bonds (distance) P-C4' energy: -93.148
flat angles C4'-P-C4' energy: -95.294
flat angles P-C4'-P energy: -59.834
tors. eta vs tors. theta energy: -109.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1369.798435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.798435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.798435 (E_RNA)
where:
Base-Base interactions energy: -931.971
where: short stacking energy: -423.620
Base-Backbone interact. energy: -0.053
local terms energy: -437.773696
where:
bonds (distance) C4'-P energy: -78.358
bonds (distance) P-C4' energy: -96.293
flat angles C4'-P-C4' energy: -89.004
flat angles P-C4'-P energy: -55.628
tors. eta vs tors. theta energy: -118.490
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: 85
Temperature: 1.050000
Total energy: -1303.662747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.662747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.662747 (E_RNA)
where:
Base-Base interactions energy: -870.557
where: short stacking energy: -384.584
Base-Backbone interact. energy: -0.184
local terms energy: -432.922263
where:
bonds (distance) C4'-P energy: -92.047
bonds (distance) P-C4' energy: -85.971
flat angles C4'-P-C4' energy: -91.934
flat angles P-C4'-P energy: -48.471
tors. eta vs tors. theta energy: -114.499
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: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1164.067007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.067007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.067007 (E_RNA)
where:
Base-Base interactions energy: -766.413
where: short stacking energy: -335.861
Base-Backbone interact. energy: 0.053
local terms energy: -397.707076
where:
bonds (distance) C4'-P energy: -79.907
bonds (distance) P-C4' energy: -87.451
flat angles C4'-P-C4' energy: -95.470
flat angles P-C4'-P energy: -59.949
tors. eta vs tors. theta energy: -74.931
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: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1043.436183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.436183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.436183 (E_RNA)
where:
Base-Base interactions energy: -704.916
where: short stacking energy: -314.553
Base-Backbone interact. energy: -1.330
local terms energy: -337.190420
where:
bonds (distance) C4'-P energy: -77.815
bonds (distance) P-C4' energy: -75.046
flat angles C4'-P-C4' energy: -80.326
flat angles P-C4'-P energy: -46.901
tors. eta vs tors. theta energy: -57.103
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: 85
Temperature: 1.200000
Total energy: -943.308143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.308143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.308143 (E_RNA)
where:
Base-Base interactions energy: -583.813
where: short stacking energy: -288.086
Base-Backbone interact. energy: 1.552
local terms energy: -361.047119
where:
bonds (distance) C4'-P energy: -83.442
bonds (distance) P-C4' energy: -90.544
flat angles C4'-P-C4' energy: -76.236
flat angles P-C4'-P energy: -52.862
tors. eta vs tors. theta energy: -57.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -822.966477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.966477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.966477 (E_RNA)
where:
Base-Base interactions energy: -507.767
where: short stacking energy: -254.526
Base-Backbone interact. energy: 3.841
local terms energy: -319.039678
where:
bonds (distance) C4'-P energy: -68.623
bonds (distance) P-C4' energy: -85.222
flat angles C4'-P-C4' energy: -73.951
flat angles P-C4'-P energy: -52.484
tors. eta vs tors. theta energy: -38.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -739.592799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.592799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.592799 (E_RNA)
where:
Base-Base interactions energy: -439.125
where: short stacking energy: -203.226
Base-Backbone interact. energy: 2.775
local terms energy: -303.241940
where:
bonds (distance) C4'-P energy: -70.242
bonds (distance) P-C4' energy: -86.388
flat angles C4'-P-C4' energy: -69.776
flat angles P-C4'-P energy: -39.066
tors. eta vs tors. theta energy: -37.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -590.308437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.308437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.308437 (E_RNA)
where:
Base-Base interactions energy: -344.670
where: short stacking energy: -167.895
Base-Backbone interact. energy: -0.889
local terms energy: -244.748919
where:
bonds (distance) C4'-P energy: -66.247
bonds (distance) P-C4' energy: -56.497
flat angles C4'-P-C4' energy: -74.742
flat angles P-C4'-P energy: -30.150
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1542.023545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.023545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.023545 (E_RNA)
where:
Base-Base interactions energy: -1070.489
where: short stacking energy: -462.359
Base-Backbone interact. energy: -2.551
local terms energy: -468.983740
where:
bonds (distance) C4'-P energy: -80.204
bonds (distance) P-C4' energy: -99.668
flat angles C4'-P-C4' energy: -91.693
flat angles P-C4'-P energy: -78.414
tors. eta vs tors. theta energy: -119.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1428.961115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.961115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.961115 (E_RNA)
where:
Base-Base interactions energy: -973.628
where: short stacking energy: -434.639
Base-Backbone interact. energy: 0.251
local terms energy: -455.584401
where:
bonds (distance) C4'-P energy: -87.844
bonds (distance) P-C4' energy: -85.268
flat angles C4'-P-C4' energy: -96.566
flat angles P-C4'-P energy: -75.607
tors. eta vs tors. theta energy: -110.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1396.390761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.390761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.390761 (E_RNA)
where:
Base-Base interactions energy: -932.758
where: short stacking energy: -412.496
Base-Backbone interact. energy: -1.645
local terms energy: -461.988220
where:
bonds (distance) C4'-P energy: -93.475
bonds (distance) P-C4' energy: -79.705
flat angles C4'-P-C4' energy: -95.501
flat angles P-C4'-P energy: -74.194
tors. eta vs tors. theta energy: -119.113
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: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1313.008779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.008779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.008779 (E_RNA)
where:
Base-Base interactions energy: -899.631
where: short stacking energy: -420.847
Base-Backbone interact. energy: -0.550
local terms energy: -412.828154
where:
bonds (distance) C4'-P energy: -86.164
bonds (distance) P-C4' energy: -85.228
flat angles C4'-P-C4' energy: -85.822
flat angles P-C4'-P energy: -50.590
tors. eta vs tors. theta energy: -105.025
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: 86
Temperature: 1.100000
Total energy: -1142.969455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.969455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.969455 (E_RNA)
where:
Base-Base interactions energy: -785.986
where: short stacking energy: -333.913
Base-Backbone interact. energy: 0.134
local terms energy: -357.118218
where:
bonds (distance) C4'-P energy: -80.241
bonds (distance) P-C4' energy: -77.771
flat angles C4'-P-C4' energy: -82.566
flat angles P-C4'-P energy: -59.112
tors. eta vs tors. theta energy: -57.428
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: 86
Temperature: 1.150000
Total energy: -1027.078043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.078043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.078043 (E_RNA)
where:
Base-Base interactions energy: -673.013
where: short stacking energy: -310.059
Base-Backbone interact. energy: 2.126
local terms energy: -356.190905
where:
bonds (distance) C4'-P energy: -68.474
bonds (distance) P-C4' energy: -76.899
flat angles C4'-P-C4' energy: -84.315
flat angles P-C4'-P energy: -62.905
tors. eta vs tors. theta energy: -63.598
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: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1010.627944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.627944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.627944 (E_RNA)
where:
Base-Base interactions energy: -657.852
where: short stacking energy: -289.874
Base-Backbone interact. energy: -0.759
local terms energy: -352.016763
where:
bonds (distance) C4'-P energy: -74.574
bonds (distance) P-C4' energy: -79.043
flat angles C4'-P-C4' energy: -80.164
flat angles P-C4'-P energy: -48.259
tors. eta vs tors. theta energy: -69.978
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: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -895.205329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.205329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.205329 (E_RNA)
where:
Base-Base interactions energy: -571.624
where: short stacking energy: -258.717
Base-Backbone interact. energy: 0.734
local terms energy: -324.315332
where:
bonds (distance) C4'-P energy: -76.372
bonds (distance) P-C4' energy: -73.360
flat angles C4'-P-C4' energy: -81.064
flat angles P-C4'-P energy: -47.309
tors. eta vs tors. theta energy: -46.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -696.067407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.067407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.067407 (E_RNA)
where:
Base-Base interactions energy: -419.038
where: short stacking energy: -202.582
Base-Backbone interact. energy: -1.595
local terms energy: -275.434968
where:
bonds (distance) C4'-P energy: -60.698
bonds (distance) P-C4' energy: -77.176
flat angles C4'-P-C4' energy: -71.624
flat angles P-C4'-P energy: -45.057
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -621.259263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.259263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.259263 (E_RNA)
where:
Base-Base interactions energy: -322.959
where: short stacking energy: -175.842
Base-Backbone interact. energy: -0.858
local terms energy: -297.441999
where:
bonds (distance) C4'-P energy: -72.328
bonds (distance) P-C4' energy: -88.385
flat angles C4'-P-C4' energy: -65.563
flat angles P-C4'-P energy: -50.280
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: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1534.442420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.442420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.442420 (E_RNA)
where:
Base-Base interactions energy: -1077.322
where: short stacking energy: -453.254
Base-Backbone interact. energy: -1.365
local terms energy: -455.755495
where:
bonds (distance) C4'-P energy: -85.804
bonds (distance) P-C4' energy: -85.106
flat angles C4'-P-C4' energy: -102.508
flat angles P-C4'-P energy: -61.150
tors. eta vs tors. theta energy: -121.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1438.307728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.307728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.307728 (E_RNA)
where:
Base-Base interactions energy: -981.155
where: short stacking energy: -430.367
Base-Backbone interact. energy: -0.044
local terms energy: -457.108609
where:
bonds (distance) C4'-P energy: -92.876
bonds (distance) P-C4' energy: -86.443
flat angles C4'-P-C4' energy: -99.385
flat angles P-C4'-P energy: -72.832
tors. eta vs tors. theta energy: -105.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1381.739336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.739336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.739336 (E_RNA)
where:
Base-Base interactions energy: -936.181
where: short stacking energy: -434.429
Base-Backbone interact. energy: -1.073
local terms energy: -444.485600
where:
bonds (distance) C4'-P energy: -93.948
bonds (distance) P-C4' energy: -74.593
flat angles C4'-P-C4' energy: -94.911
flat angles P-C4'-P energy: -64.535
tors. eta vs tors. theta energy: -116.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1291.134629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.134629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.134629 (E_RNA)
where:
Base-Base interactions energy: -879.021
where: short stacking energy: -377.339
Base-Backbone interact. energy: -0.023
local terms energy: -412.089824
where:
bonds (distance) C4'-P energy: -76.087
bonds (distance) P-C4' energy: -82.912
flat angles C4'-P-C4' energy: -89.584
flat angles P-C4'-P energy: -66.568
tors. eta vs tors. theta energy: -96.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1149.352895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.352895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.352895 (E_RNA)
where:
Base-Base interactions energy: -782.874
where: short stacking energy: -337.721
Base-Backbone interact. energy: -1.539
local terms energy: -364.940086
where:
bonds (distance) C4'-P energy: -65.243
bonds (distance) P-C4' energy: -78.597
flat angles C4'-P-C4' energy: -95.017
flat angles P-C4'-P energy: -57.363
tors. eta vs tors. theta energy: -68.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1013.698744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.698744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.698744 (E_RNA)
where:
Base-Base interactions energy: -660.551
where: short stacking energy: -288.090
Base-Backbone interact. energy: -2.481
local terms energy: -350.666450
where:
bonds (distance) C4'-P energy: -85.241
bonds (distance) P-C4' energy: -78.362
flat angles C4'-P-C4' energy: -76.912
flat angles P-C4'-P energy: -47.992
tors. eta vs tors. theta energy: -62.160
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: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1019.953904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.953904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.953904 (E_RNA)
where:
Base-Base interactions energy: -660.347
where: short stacking energy: -283.902
Base-Backbone interact. energy: -2.921
local terms energy: -356.685681
where:
bonds (distance) C4'-P energy: -68.123
bonds (distance) P-C4' energy: -74.055
flat angles C4'-P-C4' energy: -90.620
flat angles P-C4'-P energy: -56.319
tors. eta vs tors. theta energy: -67.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -900.623697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.623697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.623697 (E_RNA)
where:
Base-Base interactions energy: -586.732
where: short stacking energy: -254.280
Base-Backbone interact. energy: -2.421
local terms energy: -311.470527
where:
bonds (distance) C4'-P energy: -67.959
bonds (distance) P-C4' energy: -73.596
flat angles C4'-P-C4' energy: -80.169
flat angles P-C4'-P energy: -47.080
tors. eta vs tors. theta energy: -42.667
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: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -726.221183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.221183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.221183 (E_RNA)
where:
Base-Base interactions energy: -427.953
where: short stacking energy: -230.530
Base-Backbone interact. energy: -1.929
local terms energy: -296.338815
where:
bonds (distance) C4'-P energy: -74.454
bonds (distance) P-C4' energy: -74.010
flat angles C4'-P-C4' energy: -79.737
flat angles P-C4'-P energy: -51.004
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -570.785668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.785668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.785668 (E_RNA)
where:
Base-Base interactions energy: -314.989
where: short stacking energy: -170.587
Base-Backbone interact. energy: 0.989
local terms energy: -256.785139
where:
bonds (distance) C4'-P energy: -57.978
bonds (distance) P-C4' energy: -79.665
flat angles C4'-P-C4' energy: -71.728
flat angles P-C4'-P energy: -43.338
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1545.550469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.550469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.550469 (E_RNA)
where:
Base-Base interactions energy: -1083.759
where: short stacking energy: -448.569
Base-Backbone interact. energy: -3.523
local terms energy: -458.267605
where:
bonds (distance) C4'-P energy: -80.804
bonds (distance) P-C4' energy: -94.215
flat angles C4'-P-C4' energy: -95.673
flat angles P-C4'-P energy: -69.563
tors. eta vs tors. theta energy: -118.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1435.270645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.270645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.270645 (E_RNA)
where:
Base-Base interactions energy: -984.390
where: short stacking energy: -442.509
Base-Backbone interact. energy: -2.516
local terms energy: -448.364477
where:
bonds (distance) C4'-P energy: -86.208
bonds (distance) P-C4' energy: -88.860
flat angles C4'-P-C4' energy: -94.593
flat angles P-C4'-P energy: -69.471
tors. eta vs tors. theta energy: -109.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1378.940894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.940894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.940894 (E_RNA)
where:
Base-Base interactions energy: -923.885
where: short stacking energy: -419.263
Base-Backbone interact. energy: 1.434
local terms energy: -456.489697
where:
bonds (distance) C4'-P energy: -99.768
bonds (distance) P-C4' energy: -84.456
flat angles C4'-P-C4' energy: -96.798
flat angles P-C4'-P energy: -61.902
tors. eta vs tors. theta energy: -113.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1276.840377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.840377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.840377 (E_RNA)
where:
Base-Base interactions energy: -852.620
where: short stacking energy: -393.697
Base-Backbone interact. energy: -0.981
local terms energy: -423.239259
where:
bonds (distance) C4'-P energy: -72.836
bonds (distance) P-C4' energy: -97.619
flat angles C4'-P-C4' energy: -95.562
flat angles P-C4'-P energy: -54.991
tors. eta vs tors. theta energy: -102.230
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: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1177.838121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.838121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.838121 (E_RNA)
where:
Base-Base interactions energy: -782.899
where: short stacking energy: -357.287
Base-Backbone interact. energy: -0.148
local terms energy: -394.790786
where:
bonds (distance) C4'-P energy: -63.194
bonds (distance) P-C4' energy: -93.885
flat angles C4'-P-C4' energy: -96.219
flat angles P-C4'-P energy: -54.197
tors. eta vs tors. theta energy: -87.296
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: 88
Temperature: 1.150000
Total energy: -1050.760651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.760651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.760651 (E_RNA)
where:
Base-Base interactions energy: -673.578
where: short stacking energy: -319.110
Base-Backbone interact. energy: -2.248
local terms energy: -374.934301
where:
bonds (distance) C4'-P energy: -78.851
bonds (distance) P-C4' energy: -90.784
flat angles C4'-P-C4' energy: -88.692
flat angles P-C4'-P energy: -34.924
tors. eta vs tors. theta energy: -81.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -962.379202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.379202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.379202 (E_RNA)
where:
Base-Base interactions energy: -635.182
where: short stacking energy: -285.507
Base-Backbone interact. energy: -1.175
local terms energy: -326.021920
where:
bonds (distance) C4'-P energy: -74.937
bonds (distance) P-C4' energy: -78.669
flat angles C4'-P-C4' energy: -76.677
flat angles P-C4'-P energy: -46.472
tors. eta vs tors. theta energy: -49.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -887.960692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.960692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.960692 (E_RNA)
where:
Base-Base interactions energy: -573.236
where: short stacking energy: -267.724
Base-Backbone interact. energy: 0.175
local terms energy: -314.900424
where:
bonds (distance) C4'-P energy: -80.746
bonds (distance) P-C4' energy: -76.106
flat angles C4'-P-C4' energy: -70.021
flat angles P-C4'-P energy: -35.991
tors. eta vs tors. theta energy: -52.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -682.583065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.583065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.583065 (E_RNA)
where:
Base-Base interactions energy: -391.345
where: short stacking energy: -188.117
Base-Backbone interact. energy: 3.918
local terms energy: -295.156449
where:
bonds (distance) C4'-P energy: -75.710
bonds (distance) P-C4' energy: -82.118
flat angles C4'-P-C4' energy: -69.644
flat angles P-C4'-P energy: -44.773
tors. eta vs tors. theta energy: -22.911
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: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -574.236132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.236132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.236132 (E_RNA)
where:
Base-Base interactions energy: -305.262
where: short stacking energy: -173.425
Base-Backbone interact. energy: -1.061
local terms energy: -267.913322
where:
bonds (distance) C4'-P energy: -67.714
bonds (distance) P-C4' energy: -82.515
flat angles C4'-P-C4' energy: -56.290
flat angles P-C4'-P energy: -55.191
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1554.242925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.242925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.242925 (E_RNA)
where:
Base-Base interactions energy: -1042.467
where: short stacking energy: -483.019
Base-Backbone interact. energy: -4.604
local terms energy: -507.171713
where:
bonds (distance) C4'-P energy: -102.537
bonds (distance) P-C4' energy: -102.523
flat angles C4'-P-C4' energy: -110.323
flat angles P-C4'-P energy: -68.725
tors. eta vs tors. theta energy: -123.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1427.749916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.749916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.749916 (E_RNA)
where:
Base-Base interactions energy: -955.964
where: short stacking energy: -418.108
Base-Backbone interact. energy: -0.733
local terms energy: -471.053254
where:
bonds (distance) C4'-P energy: -91.212
bonds (distance) P-C4' energy: -92.983
flat angles C4'-P-C4' energy: -101.470
flat angles P-C4'-P energy: -70.090
tors. eta vs tors. theta energy: -115.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1378.023947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.023947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.023947 (E_RNA)
where:
Base-Base interactions energy: -933.288
where: short stacking energy: -433.624
Base-Backbone interact. energy: -5.138
local terms energy: -439.597569
where:
bonds (distance) C4'-P energy: -87.363
bonds (distance) P-C4' energy: -94.067
flat angles C4'-P-C4' energy: -92.011
flat angles P-C4'-P energy: -48.564
tors. eta vs tors. theta energy: -117.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1263.354461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.354461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.354461 (E_RNA)
where:
Base-Base interactions energy: -827.266
where: short stacking energy: -381.371
Base-Backbone interact. energy: -1.207
local terms energy: -434.881732
where:
bonds (distance) C4'-P energy: -84.980
bonds (distance) P-C4' energy: -95.129
flat angles C4'-P-C4' energy: -98.783
flat angles P-C4'-P energy: -57.153
tors. eta vs tors. theta energy: -98.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1251.478868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.478868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.478868 (E_RNA)
where:
Base-Base interactions energy: -843.258
where: short stacking energy: -361.277
Base-Backbone interact. energy: -2.166
local terms energy: -406.055558
where:
bonds (distance) C4'-P energy: -78.904
bonds (distance) P-C4' energy: -96.581
flat angles C4'-P-C4' energy: -91.315
flat angles P-C4'-P energy: -48.362
tors. eta vs tors. theta energy: -90.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1038.665740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.665740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.665740 (E_RNA)
where:
Base-Base interactions energy: -672.694
where: short stacking energy: -307.060
Base-Backbone interact. energy: -0.146
local terms energy: -365.825210
where:
bonds (distance) C4'-P energy: -73.119
bonds (distance) P-C4' energy: -95.739
flat angles C4'-P-C4' energy: -84.200
flat angles P-C4'-P energy: -43.285
tors. eta vs tors. theta energy: -69.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -968.025596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.025596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.025596 (E_RNA)
where:
Base-Base interactions energy: -626.278
where: short stacking energy: -286.215
Base-Backbone interact. energy: 1.578
local terms energy: -343.325524
where:
bonds (distance) C4'-P energy: -77.756
bonds (distance) P-C4' energy: -76.725
flat angles C4'-P-C4' energy: -81.105
flat angles P-C4'-P energy: -57.126
tors. eta vs tors. theta energy: -50.614
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: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -743.514352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.514352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.514352 (E_RNA)
where:
Base-Base interactions energy: -467.862
where: short stacking energy: -245.952
Base-Backbone interact. energy: -0.290
local terms energy: -275.362132
where:
bonds (distance) C4'-P energy: -73.561
bonds (distance) P-C4' energy: -65.934
flat angles C4'-P-C4' energy: -76.198
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: -39.030
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: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -810.775563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.775563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.775563 (E_RNA)
where:
Base-Base interactions energy: -497.551
where: short stacking energy: -245.598
Base-Backbone interact. energy: -0.936
local terms energy: -312.288732
where:
bonds (distance) C4'-P energy: -72.102
bonds (distance) P-C4' energy: -76.149
flat angles C4'-P-C4' energy: -88.203
flat angles P-C4'-P energy: -52.262
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -568.418840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.418840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.418840 (E_RNA)
where:
Base-Base interactions energy: -311.677
where: short stacking energy: -147.999
Base-Backbone interact. energy: -2.274
local terms energy: -254.467761
where:
bonds (distance) C4'-P energy: -63.273
bonds (distance) P-C4' energy: -85.271
flat angles C4'-P-C4' energy: -55.199
flat angles P-C4'-P energy: -47.083
tors. eta vs tors. theta energy: -3.641
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: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1542.083342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.083342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.083342 (E_RNA)
where:
Base-Base interactions energy: -1065.907
where: short stacking energy: -467.436
Base-Backbone interact. energy: -1.446
local terms energy: -474.730283
where:
bonds (distance) C4'-P energy: -86.854
bonds (distance) P-C4' energy: -98.481
flat angles C4'-P-C4' energy: -95.211
flat angles P-C4'-P energy: -65.987
tors. eta vs tors. theta energy: -128.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1473.724593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.724593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.724593 (E_RNA)
where:
Base-Base interactions energy: -1003.331
where: short stacking energy: -450.836
Base-Backbone interact. energy: 1.309
local terms energy: -471.702595
where:
bonds (distance) C4'-P energy: -95.002
bonds (distance) P-C4' energy: -92.123
flat angles C4'-P-C4' energy: -99.124
flat angles P-C4'-P energy: -70.877
tors. eta vs tors. theta energy: -114.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1365.434811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.434811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.434811 (E_RNA)
where:
Base-Base interactions energy: -905.737
where: short stacking energy: -423.052
Base-Backbone interact. energy: -1.868
local terms energy: -457.829670
where:
bonds (distance) C4'-P energy: -81.729
bonds (distance) P-C4' energy: -89.210
flat angles C4'-P-C4' energy: -95.506
flat angles P-C4'-P energy: -72.843
tors. eta vs tors. theta energy: -118.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1265.407269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.407269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.407269 (E_RNA)
where:
Base-Base interactions energy: -831.520
where: short stacking energy: -376.186
Base-Backbone interact. energy: -2.759
local terms energy: -431.127526
where:
bonds (distance) C4'-P energy: -89.443
bonds (distance) P-C4' energy: -97.553
flat angles C4'-P-C4' energy: -90.366
flat angles P-C4'-P energy: -66.925
tors. eta vs tors. theta energy: -86.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1220.438830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.438830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.438830 (E_RNA)
where:
Base-Base interactions energy: -835.818
where: short stacking energy: -374.676
Base-Backbone interact. energy: 4.752
local terms energy: -389.372680
where:
bonds (distance) C4'-P energy: -83.479
bonds (distance) P-C4' energy: -78.420
flat angles C4'-P-C4' energy: -90.610
flat angles P-C4'-P energy: -47.640
tors. eta vs tors. theta energy: -89.225
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: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1056.503641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.503641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.503641 (E_RNA)
where:
Base-Base interactions energy: -699.929
where: short stacking energy: -301.999
Base-Backbone interact. energy: -2.323
local terms energy: -354.251434
where:
bonds (distance) C4'-P energy: -84.076
bonds (distance) P-C4' energy: -84.359
flat angles C4'-P-C4' energy: -81.861
flat angles P-C4'-P energy: -40.391
tors. eta vs tors. theta energy: -63.565
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: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -993.780657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.780657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.780657 (E_RNA)
where:
Base-Base interactions energy: -648.197
where: short stacking energy: -284.364
Base-Backbone interact. energy: 2.344
local terms energy: -347.927908
where:
bonds (distance) C4'-P energy: -72.883
bonds (distance) P-C4' energy: -78.953
flat angles C4'-P-C4' energy: -86.273
flat angles P-C4'-P energy: -52.825
tors. eta vs tors. theta energy: -56.994
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: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -752.585835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.585835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.585835 (E_RNA)
where:
Base-Base interactions energy: -429.269
where: short stacking energy: -221.592
Base-Backbone interact. energy: -4.636
local terms energy: -318.679837
where:
bonds (distance) C4'-P energy: -75.799
bonds (distance) P-C4' energy: -72.678
flat angles C4'-P-C4' energy: -71.927
flat angles P-C4'-P energy: -61.178
tors. eta vs tors. theta energy: -37.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -796.449218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.449218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.449218 (E_RNA)
where:
Base-Base interactions energy: -479.157
where: short stacking energy: -209.006
Base-Backbone interact. energy: 2.512
local terms energy: -319.803592
where:
bonds (distance) C4'-P energy: -78.728
bonds (distance) P-C4' energy: -85.836
flat angles C4'-P-C4' energy: -86.559
flat angles P-C4'-P energy: -30.276
tors. eta vs tors. theta energy: -38.405
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: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -638.753081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.753081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.753081 (E_RNA)
where:
Base-Base interactions energy: -400.969
where: short stacking energy: -180.320
Base-Backbone interact. energy: 3.447
local terms energy: -241.231484
where:
bonds (distance) C4'-P energy: -62.026
bonds (distance) P-C4' energy: -61.567
flat angles C4'-P-C4' energy: -70.866
flat angles P-C4'-P energy: -33.825
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: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1547.351274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.351274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.351274 (E_RNA)
where:
Base-Base interactions energy: -1079.320
where: short stacking energy: -460.611
Base-Backbone interact. energy: -1.738
local terms energy: -466.292793
where:
bonds (distance) C4'-P energy: -73.433
bonds (distance) P-C4' energy: -98.686
flat angles C4'-P-C4' energy: -103.092
flat angles P-C4'-P energy: -62.394
tors. eta vs tors. theta energy: -128.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1424.410510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.410510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.410510 (E_RNA)
where:
Base-Base interactions energy: -944.435
where: short stacking energy: -437.677
Base-Backbone interact. energy: -0.941
local terms energy: -479.034668
where:
bonds (distance) C4'-P energy: -75.892
bonds (distance) P-C4' energy: -104.913
flat angles C4'-P-C4' energy: -109.863
flat angles P-C4'-P energy: -70.946
tors. eta vs tors. theta energy: -117.420
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: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1437.006321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.006321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.006321 (E_RNA)
where:
Base-Base interactions energy: -980.702
where: short stacking energy: -417.731
Base-Backbone interact. energy: -3.031
local terms energy: -453.273609
where:
bonds (distance) C4'-P energy: -81.891
bonds (distance) P-C4' energy: -82.681
flat angles C4'-P-C4' energy: -100.382
flat angles P-C4'-P energy: -68.130
tors. eta vs tors. theta energy: -120.190
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: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1319.970736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.970736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.970736 (E_RNA)
where:
Base-Base interactions energy: -873.749
where: short stacking energy: -390.328
Base-Backbone interact. energy: 2.100
local terms energy: -448.321800
where:
bonds (distance) C4'-P energy: -78.529
bonds (distance) P-C4' energy: -94.702
flat angles C4'-P-C4' energy: -100.665
flat angles P-C4'-P energy: -61.351
tors. eta vs tors. theta energy: -113.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1215.505526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.505526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.505526 (E_RNA)
where:
Base-Base interactions energy: -812.716
where: short stacking energy: -361.161
Base-Backbone interact. energy: -1.635
local terms energy: -401.154155
where:
bonds (distance) C4'-P energy: -78.504
bonds (distance) P-C4' energy: -83.833
flat angles C4'-P-C4' energy: -93.443
flat angles P-C4'-P energy: -57.208
tors. eta vs tors. theta energy: -88.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1070.954274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.954274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.954274 (E_RNA)
where:
Base-Base interactions energy: -699.418
where: short stacking energy: -323.113
Base-Backbone interact. energy: -0.182
local terms energy: -371.354234
where:
bonds (distance) C4'-P energy: -84.607
bonds (distance) P-C4' energy: -80.769
flat angles C4'-P-C4' energy: -79.142
flat angles P-C4'-P energy: -49.642
tors. eta vs tors. theta energy: -77.194
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: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -976.578717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.578717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.578717 (E_RNA)
where:
Base-Base interactions energy: -636.254
where: short stacking energy: -280.660
Base-Backbone interact. energy: -2.024
local terms energy: -338.301448
where:
bonds (distance) C4'-P energy: -72.917
bonds (distance) P-C4' energy: -79.924
flat angles C4'-P-C4' energy: -89.481
flat angles P-C4'-P energy: -45.633
tors. eta vs tors. theta energy: -50.346
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: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -837.330724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.330724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.330724 (E_RNA)
where:
Base-Base interactions energy: -522.939
where: short stacking energy: -245.079
Base-Backbone interact. energy: -1.078
local terms energy: -313.313673
where:
bonds (distance) C4'-P energy: -73.698
bonds (distance) P-C4' energy: -71.858
flat angles C4'-P-C4' energy: -69.778
flat angles P-C4'-P energy: -50.597
tors. eta vs tors. theta energy: -47.383
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: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -677.486757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.486757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.486757 (E_RNA)
where:
Base-Base interactions energy: -412.007
where: short stacking energy: -205.417
Base-Backbone interact. energy: 4.384
local terms energy: -269.864438
where:
bonds (distance) C4'-P energy: -65.459
bonds (distance) P-C4' energy: -82.122
flat angles C4'-P-C4' energy: -65.922
flat angles P-C4'-P energy: -36.457
tors. eta vs tors. theta energy: -19.905
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: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -633.110899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.110899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.110899 (E_RNA)
where:
Base-Base interactions energy: -368.906
where: short stacking energy: -183.956
Base-Backbone interact. energy: -0.026
local terms energy: -264.179590
where:
bonds (distance) C4'-P energy: -75.986
bonds (distance) P-C4' energy: -79.561
flat angles C4'-P-C4' energy: -66.051
flat angles P-C4'-P energy: -31.858
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1560.204506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.204506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.204506 (E_RNA)
where:
Base-Base interactions energy: -1075.717
where: short stacking energy: -462.545
Base-Backbone interact. energy: 1.432
local terms energy: -485.919614
where:
bonds (distance) C4'-P energy: -93.684
bonds (distance) P-C4' energy: -91.460
flat angles C4'-P-C4' energy: -104.276
flat angles P-C4'-P energy: -67.586
tors. eta vs tors. theta energy: -128.914
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: 92
Temperature: 0.950000
Total energy: -1441.688530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.688530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.688530 (E_RNA)
where:
Base-Base interactions energy: -982.831
where: short stacking energy: -478.513
Base-Backbone interact. energy: -1.634
local terms energy: -457.223873
where:
bonds (distance) C4'-P energy: -84.787
bonds (distance) P-C4' energy: -86.595
flat angles C4'-P-C4' energy: -96.659
flat angles P-C4'-P energy: -63.860
tors. eta vs tors. theta energy: -125.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1420.448397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.448397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.448397 (E_RNA)
where:
Base-Base interactions energy: -965.688
where: short stacking energy: -432.779
Base-Backbone interact. energy: 0.812
local terms energy: -455.572283
where:
bonds (distance) C4'-P energy: -77.303
bonds (distance) P-C4' energy: -77.594
flat angles C4'-P-C4' energy: -105.593
flat angles P-C4'-P energy: -74.121
tors. eta vs tors. theta energy: -120.961
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: 92
Temperature: 1.050000
Total energy: -1308.502354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.502354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.502354 (E_RNA)
where:
Base-Base interactions energy: -899.656
where: short stacking energy: -398.074
Base-Backbone interact. energy: -1.533
local terms energy: -407.313277
where:
bonds (distance) C4'-P energy: -74.778
bonds (distance) P-C4' energy: -64.653
flat angles C4'-P-C4' energy: -91.511
flat angles P-C4'-P energy: -59.062
tors. eta vs tors. theta energy: -117.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1197.949120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.949120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.949120 (E_RNA)
where:
Base-Base interactions energy: -805.980
where: short stacking energy: -352.917
Base-Backbone interact. energy: -0.563
local terms energy: -391.405560
where:
bonds (distance) C4'-P energy: -85.619
bonds (distance) P-C4' energy: -79.371
flat angles C4'-P-C4' energy: -94.126
flat angles P-C4'-P energy: -58.679
tors. eta vs tors. theta energy: -73.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1055.424566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.424566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.424566 (E_RNA)
where:
Base-Base interactions energy: -672.121
where: short stacking energy: -317.136
Base-Backbone interact. energy: -0.230
local terms energy: -383.073487
where:
bonds (distance) C4'-P energy: -81.358
bonds (distance) P-C4' energy: -92.304
flat angles C4'-P-C4' energy: -85.315
flat angles P-C4'-P energy: -48.297
tors. eta vs tors. theta energy: -75.799
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: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1019.433577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.433577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.433577 (E_RNA)
where:
Base-Base interactions energy: -643.686
where: short stacking energy: -315.827
Base-Backbone interact. energy: 0.291
local terms energy: -376.038714
where:
bonds (distance) C4'-P energy: -84.128
bonds (distance) P-C4' energy: -81.178
flat angles C4'-P-C4' energy: -77.505
flat angles P-C4'-P energy: -59.001
tors. eta vs tors. theta energy: -74.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -864.282069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.282069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.282069 (E_RNA)
where:
Base-Base interactions energy: -540.979
where: short stacking energy: -257.587
Base-Backbone interact. energy: -1.319
local terms energy: -321.984117
where:
bonds (distance) C4'-P energy: -86.984
bonds (distance) P-C4' energy: -78.272
flat angles C4'-P-C4' energy: -77.245
flat angles P-C4'-P energy: -41.378
tors. eta vs tors. theta energy: -38.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -684.024534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.024534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.024534 (E_RNA)
where:
Base-Base interactions energy: -388.801
where: short stacking energy: -183.296
Base-Backbone interact. energy: -2.942
local terms energy: -292.281159
where:
bonds (distance) C4'-P energy: -82.351
bonds (distance) P-C4' energy: -74.919
flat angles C4'-P-C4' energy: -70.784
flat angles P-C4'-P energy: -53.989
tors. eta vs tors. theta energy: -10.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -606.538306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.538306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.538306 (E_RNA)
where:
Base-Base interactions energy: -331.382
where: short stacking energy: -164.631
Base-Backbone interact. energy: 3.033
local terms energy: -278.189207
where:
bonds (distance) C4'-P energy: -62.746
bonds (distance) P-C4' energy: -75.792
flat angles C4'-P-C4' energy: -66.475
flat angles P-C4'-P energy: -46.564
tors. eta vs tors. theta energy: -26.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1565.880460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.880460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.880460 (E_RNA)
where:
Base-Base interactions energy: -1080.428
where: short stacking energy: -476.608
Base-Backbone interact. energy: -2.985
local terms energy: -482.468101
where:
bonds (distance) C4'-P energy: -94.227
bonds (distance) P-C4' energy: -86.862
flat angles C4'-P-C4' energy: -105.958
flat angles P-C4'-P energy: -60.173
tors. eta vs tors. theta energy: -135.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1460.239181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.239181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.239181 (E_RNA)
where:
Base-Base interactions energy: -994.624
where: short stacking energy: -469.722
Base-Backbone interact. energy: -1.244
local terms energy: -464.371886
where:
bonds (distance) C4'-P energy: -83.011
bonds (distance) P-C4' energy: -74.059
flat angles C4'-P-C4' energy: -109.144
flat angles P-C4'-P energy: -74.708
tors. eta vs tors. theta energy: -123.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1417.985225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.985225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.985225 (E_RNA)
where:
Base-Base interactions energy: -970.720
where: short stacking energy: -448.506
Base-Backbone interact. energy: -1.446
local terms energy: -445.820078
where:
bonds (distance) C4'-P energy: -82.200
bonds (distance) P-C4' energy: -84.750
flat angles C4'-P-C4' energy: -94.929
flat angles P-C4'-P energy: -56.075
tors. eta vs tors. theta energy: -127.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1303.251249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.251249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.251249 (E_RNA)
where:
Base-Base interactions energy: -897.637
where: short stacking energy: -391.627
Base-Backbone interact. energy: -0.117
local terms energy: -405.496720
where:
bonds (distance) C4'-P energy: -83.717
bonds (distance) P-C4' energy: -79.386
flat angles C4'-P-C4' energy: -79.832
flat angles P-C4'-P energy: -67.129
tors. eta vs tors. theta energy: -95.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1199.732291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.732291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.732291 (E_RNA)
where:
Base-Base interactions energy: -816.816
where: short stacking energy: -353.509
Base-Backbone interact. energy: 4.454
local terms energy: -387.370479
where:
bonds (distance) C4'-P energy: -69.657
bonds (distance) P-C4' energy: -91.337
flat angles C4'-P-C4' energy: -94.191
flat angles P-C4'-P energy: -53.234
tors. eta vs tors. theta energy: -78.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1015.116063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.116063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.116063 (E_RNA)
where:
Base-Base interactions energy: -652.094
where: short stacking energy: -302.341
Base-Backbone interact. energy: 1.077
local terms energy: -364.099202
where:
bonds (distance) C4'-P energy: -80.146
bonds (distance) P-C4' energy: -83.616
flat angles C4'-P-C4' energy: -83.671
flat angles P-C4'-P energy: -53.874
tors. eta vs tors. theta energy: -62.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -994.238527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.238527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.238527 (E_RNA)
where:
Base-Base interactions energy: -627.952
where: short stacking energy: -310.779
Base-Backbone interact. energy: -4.262
local terms energy: -362.024904
where:
bonds (distance) C4'-P energy: -68.606
bonds (distance) P-C4' energy: -88.619
flat angles C4'-P-C4' energy: -70.665
flat angles P-C4'-P energy: -51.420
tors. eta vs tors. theta energy: -82.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -868.882110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.882110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.882110 (E_RNA)
where:
Base-Base interactions energy: -547.325
where: short stacking energy: -242.969
Base-Backbone interact. energy: -2.966
local terms energy: -318.591316
where:
bonds (distance) C4'-P energy: -85.529
bonds (distance) P-C4' energy: -75.805
flat angles C4'-P-C4' energy: -68.638
flat angles P-C4'-P energy: -53.156
tors. eta vs tors. theta energy: -35.463
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: 9, replica: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -696.401230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.401230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.401230 (E_RNA)
where:
Base-Base interactions energy: -390.380
where: short stacking energy: -210.227
Base-Backbone interact. energy: 4.859
local terms energy: -310.880416
where:
bonds (distance) C4'-P energy: -77.182
bonds (distance) P-C4' energy: -89.560
flat angles C4'-P-C4' energy: -73.382
flat angles P-C4'-P energy: -36.606
tors. eta vs tors. theta energy: -34.151
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: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -533.140822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.140822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.140822 (E_RNA)
where:
Base-Base interactions energy: -286.805
where: short stacking energy: -144.280
Base-Backbone interact. energy: 0.384
local terms energy: -246.719652
where:
bonds (distance) C4'-P energy: -63.115
bonds (distance) P-C4' energy: -80.762
flat angles C4'-P-C4' energy: -62.185
flat angles P-C4'-P energy: -35.110
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1556.865240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.865240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.865240 (E_RNA)
where:
Base-Base interactions energy: -1061.136
where: short stacking energy: -456.916
Base-Backbone interact. energy: -0.503
local terms energy: -495.226312
where:
bonds (distance) C4'-P energy: -87.287
bonds (distance) P-C4' energy: -95.622
flat angles C4'-P-C4' energy: -101.252
flat angles P-C4'-P energy: -69.155
tors. eta vs tors. theta energy: -141.911
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: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1460.481825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.481825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.481825 (E_RNA)
where:
Base-Base interactions energy: -989.872
where: short stacking energy: -445.391
Base-Backbone interact. energy: 0.653
local terms energy: -471.262362
where:
bonds (distance) C4'-P energy: -87.996
bonds (distance) P-C4' energy: -99.967
flat angles C4'-P-C4' energy: -101.109
flat angles P-C4'-P energy: -63.067
tors. eta vs tors. theta energy: -119.123
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: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1408.452084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.452084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.452084 (E_RNA)
where:
Base-Base interactions energy: -951.481
where: short stacking energy: -420.530
Base-Backbone interact. energy: -0.231
local terms energy: -456.740474
where:
bonds (distance) C4'-P energy: -85.590
bonds (distance) P-C4' energy: -91.040
flat angles C4'-P-C4' energy: -102.254
flat angles P-C4'-P energy: -62.740
tors. eta vs tors. theta energy: -115.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1258.885517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.885517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.885517 (E_RNA)
where:
Base-Base interactions energy: -827.019
where: short stacking energy: -374.819
Base-Backbone interact. energy: -2.786
local terms energy: -429.080562
where:
bonds (distance) C4'-P energy: -83.830
bonds (distance) P-C4' energy: -89.784
flat angles C4'-P-C4' energy: -92.704
flat angles P-C4'-P energy: -60.200
tors. eta vs tors. theta energy: -102.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1207.904222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.904222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.904222 (E_RNA)
where:
Base-Base interactions energy: -825.561
where: short stacking energy: -382.450
Base-Backbone interact. energy: -0.045
local terms energy: -382.298654
where:
bonds (distance) C4'-P energy: -84.192
bonds (distance) P-C4' energy: -79.830
flat angles C4'-P-C4' energy: -85.200
flat angles P-C4'-P energy: -32.968
tors. eta vs tors. theta energy: -100.109
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: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1060.041004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.041004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.041004 (E_RNA)
where:
Base-Base interactions energy: -678.649
where: short stacking energy: -329.151
Base-Backbone interact. energy: -0.851
local terms energy: -380.541051
where:
bonds (distance) C4'-P energy: -83.671
bonds (distance) P-C4' energy: -85.124
flat angles C4'-P-C4' energy: -86.801
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -79.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -960.378475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.378475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.378475 (E_RNA)
where:
Base-Base interactions energy: -597.782
where: short stacking energy: -292.746
Base-Backbone interact. energy: 0.104
local terms energy: -362.700966
where:
bonds (distance) C4'-P energy: -78.158
bonds (distance) P-C4' energy: -93.880
flat angles C4'-P-C4' energy: -87.824
flat angles P-C4'-P energy: -49.685
tors. eta vs tors. theta energy: -53.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -866.258821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.258821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.258821 (E_RNA)
where:
Base-Base interactions energy: -542.529
where: short stacking energy: -263.828
Base-Backbone interact. energy: 0.267
local terms energy: -323.997154
where:
bonds (distance) C4'-P energy: -66.830
bonds (distance) P-C4' energy: -79.832
flat angles C4'-P-C4' energy: -66.465
flat angles P-C4'-P energy: -51.530
tors. eta vs tors. theta energy: -59.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -691.535306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.535306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.535306 (E_RNA)
where:
Base-Base interactions energy: -415.018
where: short stacking energy: -228.965
Base-Backbone interact. energy: -1.908
local terms energy: -274.608898
where:
bonds (distance) C4'-P energy: -68.746
bonds (distance) P-C4' energy: -55.098
flat angles C4'-P-C4' energy: -74.857
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -33.484
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: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -531.606672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.606672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.606672 (E_RNA)
where:
Base-Base interactions energy: -268.033
where: short stacking energy: -133.820
Base-Backbone interact. energy: -0.256
local terms energy: -263.317917
where:
bonds (distance) C4'-P energy: -78.770
bonds (distance) P-C4' energy: -73.808
flat angles C4'-P-C4' energy: -65.059
flat angles P-C4'-P energy: -36.273
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1559.686918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.686918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.686918 (E_RNA)
where:
Base-Base interactions energy: -1075.930
where: short stacking energy: -477.785
Base-Backbone interact. energy: -2.477
local terms energy: -481.280522
where:
bonds (distance) C4'-P energy: -85.666
bonds (distance) P-C4' energy: -86.783
flat angles C4'-P-C4' energy: -108.469
flat angles P-C4'-P energy: -59.938
tors. eta vs tors. theta energy: -140.425
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: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1462.359887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.359887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.359887 (E_RNA)
where:
Base-Base interactions energy: -998.776
where: short stacking energy: -438.771
Base-Backbone interact. energy: -0.826
local terms energy: -462.758414
where:
bonds (distance) C4'-P energy: -79.950
bonds (distance) P-C4' energy: -91.778
flat angles C4'-P-C4' energy: -103.953
flat angles P-C4'-P energy: -67.027
tors. eta vs tors. theta energy: -120.050
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: 95
Temperature: 1.000000
Total energy: -1430.506202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.506202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.506202 (E_RNA)
where:
Base-Base interactions energy: -966.761
where: short stacking energy: -420.847
Base-Backbone interact. energy: -0.736
local terms energy: -463.009687
where:
bonds (distance) C4'-P energy: -83.724
bonds (distance) P-C4' energy: -89.402
flat angles C4'-P-C4' energy: -99.701
flat angles P-C4'-P energy: -76.336
tors. eta vs tors. theta energy: -113.847
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: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1253.871998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.871998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.871998 (E_RNA)
where:
Base-Base interactions energy: -820.361
where: short stacking energy: -394.743
Base-Backbone interact. energy: 0.742
local terms energy: -434.252583
where:
bonds (distance) C4'-P energy: -83.024
bonds (distance) P-C4' energy: -82.877
flat angles C4'-P-C4' energy: -104.806
flat angles P-C4'-P energy: -61.796
tors. eta vs tors. theta energy: -101.749
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: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1231.274305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.274305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.274305 (E_RNA)
where:
Base-Base interactions energy: -818.987
where: short stacking energy: -380.168
Base-Backbone interact. energy: -1.136
local terms energy: -411.151493
where:
bonds (distance) C4'-P energy: -85.009
bonds (distance) P-C4' energy: -84.479
flat angles C4'-P-C4' energy: -80.173
flat angles P-C4'-P energy: -59.244
tors. eta vs tors. theta energy: -102.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1029.978071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.978071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.978071 (E_RNA)
where:
Base-Base interactions energy: -675.787
where: short stacking energy: -322.167
Base-Backbone interact. energy: -1.433
local terms energy: -352.758369
where:
bonds (distance) C4'-P energy: -75.237
bonds (distance) P-C4' energy: -71.872
flat angles C4'-P-C4' energy: -81.448
flat angles P-C4'-P energy: -53.690
tors. eta vs tors. theta energy: -70.511
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: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -928.441132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.441132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.441132 (E_RNA)
where:
Base-Base interactions energy: -566.679
where: short stacking energy: -261.572
Base-Backbone interact. energy: -0.019
local terms energy: -361.743695
where:
bonds (distance) C4'-P energy: -84.386
bonds (distance) P-C4' energy: -76.534
flat angles C4'-P-C4' energy: -93.550
flat angles P-C4'-P energy: -49.925
tors. eta vs tors. theta energy: -57.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -860.791738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.791738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.791738 (E_RNA)
where:
Base-Base interactions energy: -530.644
where: short stacking energy: -253.413
Base-Backbone interact. energy: -0.918
local terms energy: -329.229236
where:
bonds (distance) C4'-P energy: -75.044
bonds (distance) P-C4' energy: -86.828
flat angles C4'-P-C4' energy: -79.587
flat angles P-C4'-P energy: -48.092
tors. eta vs tors. theta energy: -39.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -756.703431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.703431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.703431 (E_RNA)
where:
Base-Base interactions energy: -467.792
where: short stacking energy: -205.958
Base-Backbone interact. energy: 0.419
local terms energy: -289.330456
where:
bonds (distance) C4'-P energy: -72.639
bonds (distance) P-C4' energy: -87.790
flat angles C4'-P-C4' energy: -79.044
flat angles P-C4'-P energy: -35.883
tors. eta vs tors. theta energy: -13.975
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: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -546.499717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.499717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.499717 (E_RNA)
where:
Base-Base interactions energy: -301.400
where: short stacking energy: -145.048
Base-Backbone interact. energy: -0.962
local terms energy: -244.137992
where:
bonds (distance) C4'-P energy: -59.763
bonds (distance) P-C4' energy: -73.011
flat angles C4'-P-C4' energy: -71.630
flat angles P-C4'-P energy: -34.037
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1566.543382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.543382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.543382 (E_RNA)
where:
Base-Base interactions energy: -1070.737
where: short stacking energy: -447.918
Base-Backbone interact. energy: 0.015
local terms energy: -495.821097
where:
bonds (distance) C4'-P energy: -101.424
bonds (distance) P-C4' energy: -96.859
flat angles C4'-P-C4' energy: -99.591
flat angles P-C4'-P energy: -67.421
tors. eta vs tors. theta energy: -130.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1461.344119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.344119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.344119 (E_RNA)
where:
Base-Base interactions energy: -988.249
where: short stacking energy: -431.370
Base-Backbone interact. energy: -3.373
local terms energy: -469.721918
where:
bonds (distance) C4'-P energy: -81.556
bonds (distance) P-C4' energy: -96.919
flat angles C4'-P-C4' energy: -100.393
flat angles P-C4'-P energy: -68.912
tors. eta vs tors. theta energy: -121.942
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: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1443.342400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.342400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.342400 (E_RNA)
where:
Base-Base interactions energy: -974.542
where: short stacking energy: -446.458
Base-Backbone interact. energy: -0.682
local terms energy: -468.118613
where:
bonds (distance) C4'-P energy: -78.411
bonds (distance) P-C4' energy: -104.947
flat angles C4'-P-C4' energy: -104.683
flat angles P-C4'-P energy: -68.976
tors. eta vs tors. theta energy: -111.101
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: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1275.280283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.280283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.280283 (E_RNA)
where:
Base-Base interactions energy: -839.008
where: short stacking energy: -386.426
Base-Backbone interact. energy: 2.997
local terms energy: -439.269666
where:
bonds (distance) C4'-P energy: -84.092
bonds (distance) P-C4' energy: -91.457
flat angles C4'-P-C4' energy: -97.026
flat angles P-C4'-P energy: -65.235
tors. eta vs tors. theta energy: -101.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1247.862377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.862377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.862377 (E_RNA)
where:
Base-Base interactions energy: -816.570
where: short stacking energy: -351.716
Base-Backbone interact. energy: 1.693
local terms energy: -432.985515
where:
bonds (distance) C4'-P energy: -84.100
bonds (distance) P-C4' energy: -92.949
flat angles C4'-P-C4' energy: -104.010
flat angles P-C4'-P energy: -68.648
tors. eta vs tors. theta energy: -83.279
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: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1060.296564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.296564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.296564 (E_RNA)
where:
Base-Base interactions energy: -682.476
where: short stacking energy: -324.697
Base-Backbone interact. energy: -1.019
local terms energy: -376.802014
where:
bonds (distance) C4'-P energy: -81.611
bonds (distance) P-C4' energy: -85.487
flat angles C4'-P-C4' energy: -83.098
flat angles P-C4'-P energy: -49.954
tors. eta vs tors. theta energy: -76.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -891.997264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.997264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.997264 (E_RNA)
where:
Base-Base interactions energy: -572.701
where: short stacking energy: -277.710
Base-Backbone interact. energy: -3.069
local terms energy: -316.227233
where:
bonds (distance) C4'-P energy: -69.756
bonds (distance) P-C4' energy: -73.713
flat angles C4'-P-C4' energy: -80.276
flat angles P-C4'-P energy: -37.646
tors. eta vs tors. theta energy: -54.836
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: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -901.646602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.646602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.646602 (E_RNA)
where:
Base-Base interactions energy: -583.351
where: short stacking energy: -274.798
Base-Backbone interact. energy: 10.123
local terms energy: -328.418338
where:
bonds (distance) C4'-P energy: -63.238
bonds (distance) P-C4' energy: -77.347
flat angles C4'-P-C4' energy: -82.177
flat angles P-C4'-P energy: -46.276
tors. eta vs tors. theta energy: -59.380
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: 1
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -768.971256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.971256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.971256 (E_RNA)
where:
Base-Base interactions energy: -487.644
where: short stacking energy: -243.567
Base-Backbone interact. energy: 0.380
local terms energy: -281.707538
where:
bonds (distance) C4'-P energy: -57.390
bonds (distance) P-C4' energy: -68.280
flat angles C4'-P-C4' energy: -72.851
flat angles P-C4'-P energy: -40.373
tors. eta vs tors. theta energy: -42.813
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: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -574.423467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.423467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.423467 (E_RNA)
where:
Base-Base interactions energy: -311.018
where: short stacking energy: -159.535
Base-Backbone interact. energy: 1.347
local terms energy: -264.752766
where:
bonds (distance) C4'-P energy: -73.108
bonds (distance) P-C4' energy: -80.940
flat angles C4'-P-C4' energy: -69.237
flat angles P-C4'-P energy: -39.488
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: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1583.717431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.717431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.717431 (E_RNA)
where:
Base-Base interactions energy: -1103.323
where: short stacking energy: -481.285
Base-Backbone interact. energy: -0.701
local terms energy: -479.693317
where:
bonds (distance) C4'-P energy: -85.459
bonds (distance) P-C4' energy: -89.754
flat angles C4'-P-C4' energy: -100.652
flat angles P-C4'-P energy: -74.047
tors. eta vs tors. theta energy: -129.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1475.205207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.205207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.205207 (E_RNA)
where:
Base-Base interactions energy: -996.643
where: short stacking energy: -448.610
Base-Backbone interact. energy: -2.517
local terms energy: -476.045061
where:
bonds (distance) C4'-P energy: -95.949
bonds (distance) P-C4' energy: -96.457
flat angles C4'-P-C4' energy: -93.693
flat angles P-C4'-P energy: -67.822
tors. eta vs tors. theta energy: -122.123
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: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1406.840804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.840804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.840804 (E_RNA)
where:
Base-Base interactions energy: -960.278
where: short stacking energy: -434.402
Base-Backbone interact. energy: -1.153
local terms energy: -445.409493
where:
bonds (distance) C4'-P energy: -95.199
bonds (distance) P-C4' energy: -73.729
flat angles C4'-P-C4' energy: -97.484
flat angles P-C4'-P energy: -61.694
tors. eta vs tors. theta energy: -117.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1280.821415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.821415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.821415 (E_RNA)
where:
Base-Base interactions energy: -872.586
where: short stacking energy: -376.740
Base-Backbone interact. energy: -1.044
local terms energy: -407.191648
where:
bonds (distance) C4'-P energy: -84.595
bonds (distance) P-C4' energy: -85.518
flat angles C4'-P-C4' energy: -103.020
flat angles P-C4'-P energy: -43.954
tors. eta vs tors. theta energy: -90.105
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: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1250.297964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.297964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.297964 (E_RNA)
where:
Base-Base interactions energy: -839.017
where: short stacking energy: -365.203
Base-Backbone interact. energy: -1.551
local terms energy: -409.730358
where:
bonds (distance) C4'-P energy: -68.541
bonds (distance) P-C4' energy: -88.306
flat angles C4'-P-C4' energy: -98.541
flat angles P-C4'-P energy: -58.169
tors. eta vs tors. theta energy: -96.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1051.060779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.060779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.060779 (E_RNA)
where:
Base-Base interactions energy: -694.609
where: short stacking energy: -301.121
Base-Backbone interact. energy: 1.225
local terms energy: -357.677439
where:
bonds (distance) C4'-P energy: -69.735
bonds (distance) P-C4' energy: -80.103
flat angles C4'-P-C4' energy: -85.524
flat angles P-C4'-P energy: -55.904
tors. eta vs tors. theta energy: -66.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -917.155734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.155734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.155734 (E_RNA)
where:
Base-Base interactions energy: -562.752
where: short stacking energy: -265.683
Base-Backbone interact. energy: 0.122
local terms energy: -354.525970
where:
bonds (distance) C4'-P energy: -74.312
bonds (distance) P-C4' energy: -88.650
flat angles C4'-P-C4' energy: -82.609
flat angles P-C4'-P energy: -56.440
tors. eta vs tors. theta energy: -52.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -834.820883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.820883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.820883 (E_RNA)
where:
Base-Base interactions energy: -495.968
where: short stacking energy: -225.073
Base-Backbone interact. energy: -3.168
local terms energy: -335.684911
where:
bonds (distance) C4'-P energy: -86.857
bonds (distance) P-C4' energy: -78.392
flat angles C4'-P-C4' energy: -78.450
flat angles P-C4'-P energy: -42.103
tors. eta vs tors. theta energy: -49.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -827.530868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.530868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.530868 (E_RNA)
where:
Base-Base interactions energy: -505.957
where: short stacking energy: -230.851
Base-Backbone interact. energy: -0.442
local terms energy: -321.132588
where:
bonds (distance) C4'-P energy: -71.621
bonds (distance) P-C4' energy: -91.442
flat angles C4'-P-C4' energy: -65.027
flat angles P-C4'-P energy: -53.539
tors. eta vs tors. theta energy: -39.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -528.232805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.232805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.232805 (E_RNA)
where:
Base-Base interactions energy: -256.595
where: short stacking energy: -146.475
Base-Backbone interact. energy: 1.313
local terms energy: -272.951043
where:
bonds (distance) C4'-P energy: -77.163
bonds (distance) P-C4' energy: -67.216
flat angles C4'-P-C4' energy: -89.275
flat angles P-C4'-P energy: -34.930
tors. eta vs tors. theta energy: -4.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1520.996401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.996401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.996401 (E_RNA)
where:
Base-Base interactions energy: -1059.299
where: short stacking energy: -433.024
Base-Backbone interact. energy: -2.787
local terms energy: -458.911178
where:
bonds (distance) C4'-P energy: -81.595
bonds (distance) P-C4' energy: -88.727
flat angles C4'-P-C4' energy: -93.719
flat angles P-C4'-P energy: -65.543
tors. eta vs tors. theta energy: -129.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1479.687926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.687926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.687926 (E_RNA)
where:
Base-Base interactions energy: -982.748
where: short stacking energy: -456.877
Base-Backbone interact. energy: -1.818
local terms energy: -495.122273
where:
bonds (distance) C4'-P energy: -83.072
bonds (distance) P-C4' energy: -97.846
flat angles C4'-P-C4' energy: -109.956
flat angles P-C4'-P energy: -69.835
tors. eta vs tors. theta energy: -134.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1469.967190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.967190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.967190 (E_RNA)
where:
Base-Base interactions energy: -1004.382
where: short stacking energy: -443.388
Base-Backbone interact. energy: 1.469
local terms energy: -467.054664
where:
bonds (distance) C4'-P energy: -89.469
bonds (distance) P-C4' energy: -96.869
flat angles C4'-P-C4' energy: -107.149
flat angles P-C4'-P energy: -56.200
tors. eta vs tors. theta energy: -117.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1278.841304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.841304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.841304 (E_RNA)
where:
Base-Base interactions energy: -853.564
where: short stacking energy: -389.164
Base-Backbone interact. energy: 2.605
local terms energy: -427.881962
where:
bonds (distance) C4'-P energy: -83.264
bonds (distance) P-C4' energy: -95.113
flat angles C4'-P-C4' energy: -94.502
flat angles P-C4'-P energy: -60.838
tors. eta vs tors. theta energy: -94.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1227.435531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.435531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.435531 (E_RNA)
where:
Base-Base interactions energy: -797.842
where: short stacking energy: -360.572
Base-Backbone interact. energy: -2.046
local terms energy: -427.547960
where:
bonds (distance) C4'-P energy: -86.979
bonds (distance) P-C4' energy: -88.537
flat angles C4'-P-C4' energy: -91.420
flat angles P-C4'-P energy: -63.613
tors. eta vs tors. theta energy: -96.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1068.954234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.954234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.954234 (E_RNA)
where:
Base-Base interactions energy: -686.993
where: short stacking energy: -312.754
Base-Backbone interact. energy: 0.089
local terms energy: -382.050450
where:
bonds (distance) C4'-P energy: -87.730
bonds (distance) P-C4' energy: -93.578
flat angles C4'-P-C4' energy: -78.046
flat angles P-C4'-P energy: -50.720
tors. eta vs tors. theta energy: -71.977
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: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -928.577518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.577518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.577518 (E_RNA)
where:
Base-Base interactions energy: -578.431
where: short stacking energy: -281.941
Base-Backbone interact. energy: 0.234
local terms energy: -350.380088
where:
bonds (distance) C4'-P energy: -77.368
bonds (distance) P-C4' energy: -73.593
flat angles C4'-P-C4' energy: -85.276
flat angles P-C4'-P energy: -45.586
tors. eta vs tors. theta energy: -68.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -818.874013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.874013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.874013 (E_RNA)
where:
Base-Base interactions energy: -517.574
where: short stacking energy: -252.932
Base-Backbone interact. energy: -1.872
local terms energy: -299.428510
where:
bonds (distance) C4'-P energy: -63.408
bonds (distance) P-C4' energy: -86.497
flat angles C4'-P-C4' energy: -55.934
flat angles P-C4'-P energy: -50.489
tors. eta vs tors. theta energy: -43.101
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: 98
Temperature: 1.300000
Total energy: -812.605708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.605708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.605708 (E_RNA)
where:
Base-Base interactions energy: -491.369
where: short stacking energy: -220.403
Base-Backbone interact. energy: 1.214
local terms energy: -322.451191
where:
bonds (distance) C4'-P energy: -73.394
bonds (distance) P-C4' energy: -89.297
flat angles C4'-P-C4' energy: -86.083
flat angles P-C4'-P energy: -49.305
tors. eta vs tors. theta energy: -24.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -513.598935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.598935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.598935 (E_RNA)
where:
Base-Base interactions energy: -259.429
where: short stacking energy: -169.565
Base-Backbone interact. energy: 2.323
local terms energy: -256.492888
where:
bonds (distance) C4'-P energy: -79.561
bonds (distance) P-C4' energy: -75.457
flat angles C4'-P-C4' energy: -63.143
flat angles P-C4'-P energy: -29.934
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1531.144688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.144688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.144688 (E_RNA)
where:
Base-Base interactions energy: -1050.100
where: short stacking energy: -449.325
Base-Backbone interact. energy: -2.976
local terms energy: -478.068705
where:
bonds (distance) C4'-P energy: -85.381
bonds (distance) P-C4' energy: -88.773
flat angles C4'-P-C4' energy: -105.268
flat angles P-C4'-P energy: -72.044
tors. eta vs tors. theta energy: -126.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1480.296847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.296847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.296847 (E_RNA)
where:
Base-Base interactions energy: -1013.330
where: short stacking energy: -468.287
Base-Backbone interact. energy: -1.631
local terms energy: -465.335539
where:
bonds (distance) C4'-P energy: -84.434
bonds (distance) P-C4' energy: -89.049
flat angles C4'-P-C4' energy: -96.758
flat angles P-C4'-P energy: -65.418
tors. eta vs tors. theta energy: -129.676
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: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1457.894341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.894341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.894341 (E_RNA)
where:
Base-Base interactions energy: -982.563
where: short stacking energy: -430.203
Base-Backbone interact. energy: 0.172
local terms energy: -475.503406
where:
bonds (distance) C4'-P energy: -86.620
bonds (distance) P-C4' energy: -93.734
flat angles C4'-P-C4' energy: -104.180
flat angles P-C4'-P energy: -64.626
tors. eta vs tors. theta energy: -126.343
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: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1266.759050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.759050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.759050 (E_RNA)
where:
Base-Base interactions energy: -863.474
where: short stacking energy: -366.181
Base-Backbone interact. energy: -0.691
local terms energy: -402.593884
where:
bonds (distance) C4'-P energy: -77.549
bonds (distance) P-C4' energy: -91.190
flat angles C4'-P-C4' energy: -88.364
flat angles P-C4'-P energy: -57.807
tors. eta vs tors. theta energy: -87.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1234.144665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.144665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.144665 (E_RNA)
where:
Base-Base interactions energy: -839.438
where: short stacking energy: -368.923
Base-Backbone interact. energy: -2.228
local terms energy: -392.478520
where:
bonds (distance) C4'-P energy: -72.236
bonds (distance) P-C4' energy: -89.769
flat angles C4'-P-C4' energy: -87.131
flat angles P-C4'-P energy: -52.455
tors. eta vs tors. theta energy: -90.887
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: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1034.863278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.863278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.863278 (E_RNA)
where:
Base-Base interactions energy: -650.456
where: short stacking energy: -293.730
Base-Backbone interact. energy: -0.886
local terms energy: -383.521095
where:
bonds (distance) C4'-P energy: -86.091
bonds (distance) P-C4' energy: -87.624
flat angles C4'-P-C4' energy: -87.920
flat angles P-C4'-P energy: -51.793
tors. eta vs tors. theta energy: -70.093
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: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -920.330861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.330861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.330861 (E_RNA)
where:
Base-Base interactions energy: -549.477
where: short stacking energy: -265.626
Base-Backbone interact. energy: 0.369
local terms energy: -371.223566
where:
bonds (distance) C4'-P energy: -80.735
bonds (distance) P-C4' energy: -84.167
flat angles C4'-P-C4' energy: -84.374
flat angles P-C4'-P energy: -63.810
tors. eta vs tors. theta energy: -58.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -812.250557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.250557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.250557 (E_RNA)
where:
Base-Base interactions energy: -467.014
where: short stacking energy: -217.534
Base-Backbone interact. energy: -3.148
local terms energy: -342.088721
where:
bonds (distance) C4'-P energy: -81.858
bonds (distance) P-C4' energy: -90.397
flat angles C4'-P-C4' energy: -81.314
flat angles P-C4'-P energy: -47.397
tors. eta vs tors. theta energy: -41.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -794.950155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.950155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.950155 (E_RNA)
where:
Base-Base interactions energy: -475.787
where: short stacking energy: -240.953
Base-Backbone interact. energy: 0.388
local terms energy: -319.550902
where:
bonds (distance) C4'-P energy: -84.752
bonds (distance) P-C4' energy: -83.461
flat angles C4'-P-C4' energy: -69.196
flat angles P-C4'-P energy: -37.866
tors. eta vs tors. theta energy: -44.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -503.983753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.983753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.983753 (E_RNA)
where:
Base-Base interactions energy: -261.064
where: short stacking energy: -133.018
Base-Backbone interact. energy: 2.380
local terms energy: -245.300133
where:
bonds (distance) C4'-P energy: -77.472
bonds (distance) P-C4' energy: -75.731
flat angles C4'-P-C4' energy: -70.106
flat angles P-C4'-P energy: -26.279
tors. eta vs tors. theta energy: 4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1550.572880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.572880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.572880 (E_RNA)
where:
Base-Base interactions energy: -1082.407
where: short stacking energy: -446.039
Base-Backbone interact. energy: -3.998
local terms energy: -464.167459
where:
bonds (distance) C4'-P energy: -88.632
bonds (distance) P-C4' energy: -94.324
flat angles C4'-P-C4' energy: -98.194
flat angles P-C4'-P energy: -62.357
tors. eta vs tors. theta energy: -120.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1473.367428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.367428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.367428 (E_RNA)
where:
Base-Base interactions energy: -989.800
where: short stacking energy: -455.958
Base-Backbone interact. energy: -1.104
local terms energy: -482.462814
where:
bonds (distance) C4'-P energy: -86.851
bonds (distance) P-C4' energy: -90.494
flat angles C4'-P-C4' energy: -103.971
flat angles P-C4'-P energy: -68.334
tors. eta vs tors. theta energy: -132.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1405.575162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.575162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.575162 (E_RNA)
where:
Base-Base interactions energy: -967.360
where: short stacking energy: -426.409
Base-Backbone interact. energy: -0.862
local terms energy: -437.352750
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -89.862
flat angles C4'-P-C4' energy: -104.419
flat angles P-C4'-P energy: -53.568
tors. eta vs tors. theta energy: -112.694
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: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1310.030443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.030443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.030443 (E_RNA)
where:
Base-Base interactions energy: -895.370
where: short stacking energy: -402.632
Base-Backbone interact. energy: -0.538
local terms energy: -414.122609
where:
bonds (distance) C4'-P energy: -75.881
bonds (distance) P-C4' energy: -83.643
flat angles C4'-P-C4' energy: -96.797
flat angles P-C4'-P energy: -61.747
tors. eta vs tors. theta energy: -96.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1242.440951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.440951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.440951 (E_RNA)
where:
Base-Base interactions energy: -831.846
where: short stacking energy: -382.442
Base-Backbone interact. energy: -1.515
local terms energy: -409.079481
where:
bonds (distance) C4'-P energy: -87.661
bonds (distance) P-C4' energy: -74.712
flat angles C4'-P-C4' energy: -91.127
flat angles P-C4'-P energy: -46.024
tors. eta vs tors. theta energy: -109.555
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: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1017.928577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.928577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.928577 (E_RNA)
where:
Base-Base interactions energy: -672.113
where: short stacking energy: -306.202
Base-Backbone interact. energy: 1.007
local terms energy: -346.823419
where:
bonds (distance) C4'-P energy: -65.299
bonds (distance) P-C4' energy: -84.191
flat angles C4'-P-C4' energy: -85.333
flat angles P-C4'-P energy: -43.937
tors. eta vs tors. theta energy: -68.063
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: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -870.457398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.457398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.457398 (E_RNA)
where:
Base-Base interactions energy: -568.716
where: short stacking energy: -248.671
Base-Backbone interact. energy: -4.296
local terms energy: -297.445329
where:
bonds (distance) C4'-P energy: -65.245
bonds (distance) P-C4' energy: -84.486
flat angles C4'-P-C4' energy: -53.042
flat angles P-C4'-P energy: -57.770
tors. eta vs tors. theta energy: -36.902
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: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -853.199241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.199241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.199241 (E_RNA)
where:
Base-Base interactions energy: -529.979
where: short stacking energy: -260.272
Base-Backbone interact. energy: -0.523
local terms energy: -322.697617
where:
bonds (distance) C4'-P energy: -83.932
bonds (distance) P-C4' energy: -83.327
flat angles C4'-P-C4' energy: -80.847
flat angles P-C4'-P energy: -28.879
tors. eta vs tors. theta energy: -45.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -848.866210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.866210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.866210 (E_RNA)
where:
Base-Base interactions energy: -558.510
where: short stacking energy: -252.659
Base-Backbone interact. energy: 0.774
local terms energy: -291.130005
where:
bonds (distance) C4'-P energy: -64.401
bonds (distance) P-C4' energy: -58.247
flat angles C4'-P-C4' energy: -68.852
flat angles P-C4'-P energy: -50.279
tors. eta vs tors. theta energy: -49.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -492.685648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.685648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.685648 (E_RNA)
where:
Base-Base interactions energy: -267.510
where: short stacking energy: -155.851
Base-Backbone interact. energy: 0.539
local terms energy: -225.715455
where:
bonds (distance) C4'-P energy: -64.031
bonds (distance) P-C4' energy: -68.600
flat angles C4'-P-C4' energy: -64.693
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: 5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1571.336280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.336280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.336280 (E_RNA)
where:
Base-Base interactions energy: -1090.088
where: short stacking energy: -463.764
Base-Backbone interact. energy: 0.059
local terms energy: -481.307403
where:
bonds (distance) C4'-P energy: -86.566
bonds (distance) P-C4' energy: -94.060
flat angles C4'-P-C4' energy: -98.530
flat angles P-C4'-P energy: -71.636
tors. eta vs tors. theta energy: -130.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1492.398365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.398365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.398365 (E_RNA)
where:
Base-Base interactions energy: -1019.481
where: short stacking energy: -480.729
Base-Backbone interact. energy: -0.771
local terms energy: -472.145842
where:
bonds (distance) C4'-P energy: -84.790
bonds (distance) P-C4' energy: -91.818
flat angles C4'-P-C4' energy: -103.595
flat angles P-C4'-P energy: -60.136
tors. eta vs tors. theta energy: -131.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1420.658558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.658558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.658558 (E_RNA)
where:
Base-Base interactions energy: -992.650
where: short stacking energy: -439.158
Base-Backbone interact. energy: -2.306
local terms energy: -425.703090
where:
bonds (distance) C4'-P energy: -81.947
bonds (distance) P-C4' energy: -87.494
flat angles C4'-P-C4' energy: -95.999
flat angles P-C4'-P energy: -45.701
tors. eta vs tors. theta energy: -114.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1257.151897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.151897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.151897 (E_RNA)
where:
Base-Base interactions energy: -852.537
where: short stacking energy: -375.852
Base-Backbone interact. energy: -2.845
local terms energy: -401.770376
where:
bonds (distance) C4'-P energy: -76.980
bonds (distance) P-C4' energy: -72.376
flat angles C4'-P-C4' energy: -95.901
flat angles P-C4'-P energy: -71.802
tors. eta vs tors. theta energy: -84.712
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: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1244.404607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.404607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.404607 (E_RNA)
where:
Base-Base interactions energy: -840.925
where: short stacking energy: -363.933
Base-Backbone interact. energy: -1.720
local terms energy: -401.758951
where:
bonds (distance) C4'-P energy: -84.035
bonds (distance) P-C4' energy: -88.099
flat angles C4'-P-C4' energy: -91.138
flat angles P-C4'-P energy: -52.487
tors. eta vs tors. theta energy: -85.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1053.460725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.460725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.460725 (E_RNA)
where:
Base-Base interactions energy: -665.305
where: short stacking energy: -305.861
Base-Backbone interact. energy: -1.805
local terms energy: -386.351115
where:
bonds (distance) C4'-P energy: -87.726
bonds (distance) P-C4' energy: -88.165
flat angles C4'-P-C4' energy: -86.395
flat angles P-C4'-P energy: -60.346
tors. eta vs tors. theta energy: -63.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -897.104963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.104963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.104963 (E_RNA)
where:
Base-Base interactions energy: -528.087
where: short stacking energy: -267.880
Base-Backbone interact. energy: -1.426
local terms energy: -367.591964
where:
bonds (distance) C4'-P energy: -86.458
bonds (distance) P-C4' energy: -95.252
flat angles C4'-P-C4' energy: -80.225
flat angles P-C4'-P energy: -55.178
tors. eta vs tors. theta energy: -50.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -955.573258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.573258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.573258 (E_RNA)
where:
Base-Base interactions energy: -620.149
where: short stacking energy: -300.062
Base-Backbone interact. energy: 0.862
local terms energy: -336.286144
where:
bonds (distance) C4'-P energy: -75.325
bonds (distance) P-C4' energy: -60.496
flat angles C4'-P-C4' energy: -71.119
flat angles P-C4'-P energy: -63.052
tors. eta vs tors. theta energy: -66.293
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: 101
Temperature: 1.300000
Total energy: -821.770903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.770903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.770903 (E_RNA)
where:
Base-Base interactions energy: -517.698
where: short stacking energy: -232.913
Base-Backbone interact. energy: 0.973
local terms energy: -305.045998
where:
bonds (distance) C4'-P energy: -73.931
bonds (distance) P-C4' energy: -80.965
flat angles C4'-P-C4' energy: -67.895
flat angles P-C4'-P energy: -38.985
tors. eta vs tors. theta energy: -43.270
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: 101
Temperature: 1.350000
Total energy: -523.202246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.202246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.202246 (E_RNA)
where:
Base-Base interactions energy: -263.350
where: short stacking energy: -151.353
Base-Backbone interact. energy: -2.114
local terms energy: -257.738206
where:
bonds (distance) C4'-P energy: -72.964
bonds (distance) P-C4' energy: -89.719
flat angles C4'-P-C4' energy: -50.365
flat angles P-C4'-P energy: -47.707
tors. eta vs tors. theta energy: 3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1575.931005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.931005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.931005 (E_RNA)
where:
Base-Base interactions energy: -1068.316
where: short stacking energy: -460.520
Base-Backbone interact. energy: 0.017
local terms energy: -507.631625
where:
bonds (distance) C4'-P energy: -98.859
bonds (distance) P-C4' energy: -101.301
flat angles C4'-P-C4' energy: -110.463
flat angles P-C4'-P energy: -69.767
tors. eta vs tors. theta energy: -127.243
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: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1470.881761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.881761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.881761 (E_RNA)
where:
Base-Base interactions energy: -1002.421
where: short stacking energy: -469.148
Base-Backbone interact. energy: -2.670
local terms energy: -465.790183
where:
bonds (distance) C4'-P energy: -100.894
bonds (distance) P-C4' energy: -85.040
flat angles C4'-P-C4' energy: -94.461
flat angles P-C4'-P energy: -60.450
tors. eta vs tors. theta energy: -124.945
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: 102
Temperature: 1.000000
Total energy: -1421.969397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.969397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.969397 (E_RNA)
where:
Base-Base interactions energy: -964.012
where: short stacking energy: -418.598
Base-Backbone interact. energy: -0.101
local terms energy: -457.855569
where:
bonds (distance) C4'-P energy: -89.572
bonds (distance) P-C4' energy: -92.051
flat angles C4'-P-C4' energy: -102.549
flat angles P-C4'-P energy: -56.955
tors. eta vs tors. theta energy: -116.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1337.322840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.322840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.322840 (E_RNA)
where:
Base-Base interactions energy: -915.158
where: short stacking energy: -396.284
Base-Backbone interact. energy: -1.821
local terms energy: -420.344521
where:
bonds (distance) C4'-P energy: -72.333
bonds (distance) P-C4' energy: -90.833
flat angles C4'-P-C4' energy: -87.668
flat angles P-C4'-P energy: -69.219
tors. eta vs tors. theta energy: -100.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1222.691389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.691389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.691389 (E_RNA)
where:
Base-Base interactions energy: -815.330
where: short stacking energy: -326.668
Base-Backbone interact. energy: -0.602
local terms energy: -406.759240
where:
bonds (distance) C4'-P energy: -83.129
bonds (distance) P-C4' energy: -89.125
flat angles C4'-P-C4' energy: -85.911
flat angles P-C4'-P energy: -68.350
tors. eta vs tors. theta energy: -80.244
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: 6, replica: 9
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1046.558734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.558734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.558734 (E_RNA)
where:
Base-Base interactions energy: -651.630
where: short stacking energy: -316.411
Base-Backbone interact. energy: 0.076
local terms energy: -395.005327
where:
bonds (distance) C4'-P energy: -87.227
bonds (distance) P-C4' energy: -85.620
flat angles C4'-P-C4' energy: -92.292
flat angles P-C4'-P energy: -55.094
tors. eta vs tors. theta energy: -74.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1009.225796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.225796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.225796 (E_RNA)
where:
Base-Base interactions energy: -636.500
where: short stacking energy: -282.500
Base-Backbone interact. energy: -0.872
local terms energy: -371.854550
where:
bonds (distance) C4'-P energy: -84.230
bonds (distance) P-C4' energy: -73.057
flat angles C4'-P-C4' energy: -90.911
flat angles P-C4'-P energy: -55.433
tors. eta vs tors. theta energy: -68.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -850.591506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.591506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.591506 (E_RNA)
where:
Base-Base interactions energy: -528.826
where: short stacking energy: -231.065
Base-Backbone interact. energy: -3.249
local terms energy: -318.517010
where:
bonds (distance) C4'-P energy: -87.756
bonds (distance) P-C4' energy: -77.048
flat angles C4'-P-C4' energy: -87.244
flat angles P-C4'-P energy: -38.647
tors. eta vs tors. theta energy: -27.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -762.082619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.082619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.082619 (E_RNA)
where:
Base-Base interactions energy: -468.502
where: short stacking energy: -213.979
Base-Backbone interact. energy: -2.644
local terms energy: -290.936650
where:
bonds (distance) C4'-P energy: -74.338
bonds (distance) P-C4' energy: -77.868
flat angles C4'-P-C4' energy: -70.176
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -26.253
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: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -482.466932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.466932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.466932 (E_RNA)
where:
Base-Base interactions energy: -230.186
where: short stacking energy: -145.672
Base-Backbone interact. energy: -1.110
local terms energy: -251.170768
where:
bonds (distance) C4'-P energy: -79.559
bonds (distance) P-C4' energy: -75.973
flat angles C4'-P-C4' energy: -55.604
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -7.493
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: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1555.100003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.100003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.100003 (E_RNA)
where:
Base-Base interactions energy: -1074.664
where: short stacking energy: -450.722
Base-Backbone interact. energy: -2.964
local terms energy: -477.472670
where:
bonds (distance) C4'-P energy: -88.996
bonds (distance) P-C4' energy: -96.504
flat angles C4'-P-C4' energy: -97.032
flat angles P-C4'-P energy: -66.271
tors. eta vs tors. theta energy: -128.670
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: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1488.818181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.818181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.818181 (E_RNA)
where:
Base-Base interactions energy: -1019.258
where: short stacking energy: -454.689
Base-Backbone interact. energy: -3.015
local terms energy: -466.545012
where:
bonds (distance) C4'-P energy: -73.021
bonds (distance) P-C4' energy: -94.232
flat angles C4'-P-C4' energy: -109.064
flat angles P-C4'-P energy: -59.412
tors. eta vs tors. theta energy: -130.815
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: 103
Temperature: 1.000000
Total energy: -1386.611374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.611374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.611374 (E_RNA)
where:
Base-Base interactions energy: -944.264
where: short stacking energy: -400.614
Base-Backbone interact. energy: 1.065
local terms energy: -443.412342
where:
bonds (distance) C4'-P energy: -79.570
bonds (distance) P-C4' energy: -94.475
flat angles C4'-P-C4' energy: -97.627
flat angles P-C4'-P energy: -58.248
tors. eta vs tors. theta energy: -113.492
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: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1330.852225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.852225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.852225 (E_RNA)
where:
Base-Base interactions energy: -915.309
where: short stacking energy: -397.113
Base-Backbone interact. energy: -3.776
local terms energy: -411.767907
where:
bonds (distance) C4'-P energy: -98.449
bonds (distance) P-C4' energy: -71.342
flat angles C4'-P-C4' energy: -88.434
flat angles P-C4'-P energy: -52.700
tors. eta vs tors. theta energy: -100.842
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: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1250.612486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.612486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.612486 (E_RNA)
where:
Base-Base interactions energy: -850.905
where: short stacking energy: -377.679
Base-Backbone interact. energy: 1.998
local terms energy: -401.705849
where:
bonds (distance) C4'-P energy: -81.549
bonds (distance) P-C4' energy: -88.304
flat angles C4'-P-C4' energy: -85.079
flat angles P-C4'-P energy: -58.904
tors. eta vs tors. theta energy: -87.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1117.546017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.546017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.546017 (E_RNA)
where:
Base-Base interactions energy: -735.361
where: short stacking energy: -358.836
Base-Backbone interact. energy: -1.237
local terms energy: -380.947777
where:
bonds (distance) C4'-P energy: -74.649
bonds (distance) P-C4' energy: -66.218
flat angles C4'-P-C4' energy: -101.023
flat angles P-C4'-P energy: -58.496
tors. eta vs tors. theta energy: -80.562
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: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -968.908807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.908807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.908807 (E_RNA)
where:
Base-Base interactions energy: -621.436
where: short stacking energy: -274.086
Base-Backbone interact. energy: 1.178
local terms energy: -348.650984
where:
bonds (distance) C4'-P energy: -70.489
bonds (distance) P-C4' energy: -88.437
flat angles C4'-P-C4' energy: -79.601
flat angles P-C4'-P energy: -51.531
tors. eta vs tors. theta energy: -58.593
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: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -837.416467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.416467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.416467 (E_RNA)
where:
Base-Base interactions energy: -515.778
where: short stacking energy: -242.512
Base-Backbone interact. energy: -2.289
local terms energy: -319.349387
where:
bonds (distance) C4'-P energy: -89.686
bonds (distance) P-C4' energy: -76.382
flat angles C4'-P-C4' energy: -66.518
flat angles P-C4'-P energy: -55.852
tors. eta vs tors. theta energy: -30.912
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: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -747.226852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.226852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.226852 (E_RNA)
where:
Base-Base interactions energy: -446.882
where: short stacking energy: -224.839
Base-Backbone interact. energy: 2.602
local terms energy: -302.947222
where:
bonds (distance) C4'-P energy: -77.184
bonds (distance) P-C4' energy: -76.095
flat angles C4'-P-C4' energy: -79.503
flat angles P-C4'-P energy: -47.688
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -480.707122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.707122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.707122 (E_RNA)
where:
Base-Base interactions energy: -230.889
where: short stacking energy: -156.055
Base-Backbone interact. energy: -0.734
local terms energy: -249.084141
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -76.997
flat angles C4'-P-C4' energy: -57.528
flat angles P-C4'-P energy: -49.488
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: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1534.355335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.355335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.355335 (E_RNA)
where:
Base-Base interactions energy: -1079.726
where: short stacking energy: -462.478
Base-Backbone interact. energy: -0.451
local terms energy: -454.178770
where:
bonds (distance) C4'-P energy: -81.115
bonds (distance) P-C4' energy: -83.854
flat angles C4'-P-C4' energy: -102.036
flat angles P-C4'-P energy: -63.550
tors. eta vs tors. theta energy: -123.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1451.091120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.091120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.091120 (E_RNA)
where:
Base-Base interactions energy: -979.171
where: short stacking energy: -435.105
Base-Backbone interact. energy: -1.101
local terms energy: -470.819788
where:
bonds (distance) C4'-P energy: -90.889
bonds (distance) P-C4' energy: -90.063
flat angles C4'-P-C4' energy: -102.826
flat angles P-C4'-P energy: -69.019
tors. eta vs tors. theta energy: -118.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1374.951289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.951289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.951289 (E_RNA)
where:
Base-Base interactions energy: -943.737
where: short stacking energy: -401.104
Base-Backbone interact. energy: -2.043
local terms energy: -429.171056
where:
bonds (distance) C4'-P energy: -77.120
bonds (distance) P-C4' energy: -90.728
flat angles C4'-P-C4' energy: -89.175
flat angles P-C4'-P energy: -59.554
tors. eta vs tors. theta energy: -112.594
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: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1352.116572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.116572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.116572 (E_RNA)
where:
Base-Base interactions energy: -915.837
where: short stacking energy: -397.815
Base-Backbone interact. energy: -0.179
local terms energy: -436.100447
where:
bonds (distance) C4'-P energy: -92.407
bonds (distance) P-C4' energy: -86.295
flat angles C4'-P-C4' energy: -91.499
flat angles P-C4'-P energy: -60.469
tors. eta vs tors. theta energy: -105.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1275.649707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.649707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.649707 (E_RNA)
where:
Base-Base interactions energy: -850.924
where: short stacking energy: -365.119
Base-Backbone interact. energy: 2.503
local terms energy: -427.228264
where:
bonds (distance) C4'-P energy: -85.483
bonds (distance) P-C4' energy: -88.017
flat angles C4'-P-C4' energy: -94.990
flat angles P-C4'-P energy: -70.111
tors. eta vs tors. theta energy: -88.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1099.831234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.831234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.831234 (E_RNA)
where:
Base-Base interactions energy: -728.315
where: short stacking energy: -326.746
Base-Backbone interact. energy: -0.861
local terms energy: -370.655557
where:
bonds (distance) C4'-P energy: -67.426
bonds (distance) P-C4' energy: -87.401
flat angles C4'-P-C4' energy: -90.950
flat angles P-C4'-P energy: -62.080
tors. eta vs tors. theta energy: -62.799
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: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -990.738490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.738490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.738490 (E_RNA)
where:
Base-Base interactions energy: -659.215
where: short stacking energy: -286.469
Base-Backbone interact. energy: -2.235
local terms energy: -329.288943
where:
bonds (distance) C4'-P energy: -74.232
bonds (distance) P-C4' energy: -60.707
flat angles C4'-P-C4' energy: -88.832
flat angles P-C4'-P energy: -40.651
tors. eta vs tors. theta energy: -64.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -844.180648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.180648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.180648 (E_RNA)
where:
Base-Base interactions energy: -510.350
where: short stacking energy: -236.316
Base-Backbone interact. energy: -1.731
local terms energy: -332.098977
where:
bonds (distance) C4'-P energy: -79.990
bonds (distance) P-C4' energy: -84.789
flat angles C4'-P-C4' energy: -80.111
flat angles P-C4'-P energy: -47.842
tors. eta vs tors. theta energy: -39.366
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: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -757.800205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.800205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.800205 (E_RNA)
where:
Base-Base interactions energy: -450.660
where: short stacking energy: -219.195
Base-Backbone interact. energy: -2.822
local terms energy: -304.317680
where:
bonds (distance) C4'-P energy: -70.642
bonds (distance) P-C4' energy: -82.607
flat angles C4'-P-C4' energy: -70.701
flat angles P-C4'-P energy: -40.790
tors. eta vs tors. theta energy: -39.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -465.662134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.662134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.662134 (E_RNA)
where:
Base-Base interactions energy: -211.190
where: short stacking energy: -138.765
Base-Backbone interact. energy: 1.328
local terms energy: -255.799941
where:
bonds (distance) C4'-P energy: -73.638
bonds (distance) P-C4' energy: -83.312
flat angles C4'-P-C4' energy: -64.427
flat angles P-C4'-P energy: -34.673
tors. eta vs tors. theta energy: 0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1546.195839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.195839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.195839 (E_RNA)
where:
Base-Base interactions energy: -1070.921
where: short stacking energy: -459.773
Base-Backbone interact. energy: -2.044
local terms energy: -473.230398
where:
bonds (distance) C4'-P energy: -96.723
bonds (distance) P-C4' energy: -79.242
flat angles C4'-P-C4' energy: -98.139
flat angles P-C4'-P energy: -73.828
tors. eta vs tors. theta energy: -125.299
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: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1451.965222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.965222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.965222 (E_RNA)
where:
Base-Base interactions energy: -997.529
where: short stacking energy: -427.026
Base-Backbone interact. energy: -2.321
local terms energy: -452.115003
where:
bonds (distance) C4'-P energy: -82.417
bonds (distance) P-C4' energy: -94.712
flat angles C4'-P-C4' energy: -98.777
flat angles P-C4'-P energy: -70.906
tors. eta vs tors. theta energy: -105.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1414.755014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.755014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.755014 (E_RNA)
where:
Base-Base interactions energy: -980.706
where: short stacking energy: -435.888
Base-Backbone interact. energy: 5.785
local terms energy: -439.834332
where:
bonds (distance) C4'-P energy: -74.070
bonds (distance) P-C4' energy: -95.844
flat angles C4'-P-C4' energy: -100.043
flat angles P-C4'-P energy: -50.138
tors. eta vs tors. theta energy: -119.739
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: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1372.121054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.121054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.121054 (E_RNA)
where:
Base-Base interactions energy: -932.186
where: short stacking energy: -399.029
Base-Backbone interact. energy: -0.789
local terms energy: -439.145551
where:
bonds (distance) C4'-P energy: -84.077
bonds (distance) P-C4' energy: -78.850
flat angles C4'-P-C4' energy: -102.141
flat angles P-C4'-P energy: -63.912
tors. eta vs tors. theta energy: -110.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1271.760127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.760127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.760127 (E_RNA)
where:
Base-Base interactions energy: -856.036
where: short stacking energy: -379.199
Base-Backbone interact. energy: -3.545
local terms energy: -412.179006
where:
bonds (distance) C4'-P energy: -75.997
bonds (distance) P-C4' energy: -83.716
flat angles C4'-P-C4' energy: -87.476
flat angles P-C4'-P energy: -68.774
tors. eta vs tors. theta energy: -96.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1114.003296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.003296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.003296 (E_RNA)
where:
Base-Base interactions energy: -748.614
where: short stacking energy: -339.164
Base-Backbone interact. energy: 2.409
local terms energy: -367.798713
where:
bonds (distance) C4'-P energy: -76.775
bonds (distance) P-C4' energy: -94.222
flat angles C4'-P-C4' energy: -66.243
flat angles P-C4'-P energy: -59.418
tors. eta vs tors. theta energy: -71.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1012.521793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.521793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.521793 (E_RNA)
where:
Base-Base interactions energy: -648.992
where: short stacking energy: -278.279
Base-Backbone interact. energy: -1.115
local terms energy: -362.414394
where:
bonds (distance) C4'-P energy: -83.402
bonds (distance) P-C4' energy: -86.024
flat angles C4'-P-C4' energy: -83.109
flat angles P-C4'-P energy: -47.576
tors. eta vs tors. theta energy: -62.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -838.088774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.088774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.088774 (E_RNA)
where:
Base-Base interactions energy: -507.641
where: short stacking energy: -251.411
Base-Backbone interact. energy: -0.852
local terms energy: -329.596593
where:
bonds (distance) C4'-P energy: -65.153
bonds (distance) P-C4' energy: -87.120
flat angles C4'-P-C4' energy: -75.262
flat angles P-C4'-P energy: -54.455
tors. eta vs tors. theta energy: -47.607
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: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -684.835228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.835228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.835228 (E_RNA)
where:
Base-Base interactions energy: -405.850
where: short stacking energy: -180.045
Base-Backbone interact. energy: 4.616
local terms energy: -283.601096
where:
bonds (distance) C4'-P energy: -81.609
bonds (distance) P-C4' energy: -73.020
flat angles C4'-P-C4' energy: -68.556
flat angles P-C4'-P energy: -46.297
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: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -468.661682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.661682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.661682 (E_RNA)
where:
Base-Base interactions energy: -206.455
where: short stacking energy: -116.492
Base-Backbone interact. energy: 1.861
local terms energy: -264.067674
where:
bonds (distance) C4'-P energy: -77.061
bonds (distance) P-C4' energy: -75.022
flat angles C4'-P-C4' energy: -65.927
flat angles P-C4'-P energy: -51.716
tors. eta vs tors. theta energy: 5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1562.466240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.466240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.466240 (E_RNA)
where:
Base-Base interactions energy: -1081.426
where: short stacking energy: -470.538
Base-Backbone interact. energy: -0.254
local terms energy: -480.786203
where:
bonds (distance) C4'-P energy: -95.515
bonds (distance) P-C4' energy: -83.406
flat angles C4'-P-C4' energy: -104.645
flat angles P-C4'-P energy: -66.159
tors. eta vs tors. theta energy: -131.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1451.179878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.179878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.179878 (E_RNA)
where:
Base-Base interactions energy: -988.560
where: short stacking energy: -421.528
Base-Backbone interact. energy: 0.489
local terms energy: -463.108561
where:
bonds (distance) C4'-P energy: -91.425
bonds (distance) P-C4' energy: -89.717
flat angles C4'-P-C4' energy: -104.902
flat angles P-C4'-P energy: -66.655
tors. eta vs tors. theta energy: -110.410
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: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1425.772361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.772361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.772361 (E_RNA)
where:
Base-Base interactions energy: -982.874
where: short stacking energy: -436.644
Base-Backbone interact. energy: 1.588
local terms energy: -444.486143
where:
bonds (distance) C4'-P energy: -79.372
bonds (distance) P-C4' energy: -91.152
flat angles C4'-P-C4' energy: -92.280
flat angles P-C4'-P energy: -53.928
tors. eta vs tors. theta energy: -127.755
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: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1384.612532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.612532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.612532 (E_RNA)
where:
Base-Base interactions energy: -941.807
where: short stacking energy: -429.074
Base-Backbone interact. energy: 1.320
local terms energy: -444.125418
where:
bonds (distance) C4'-P energy: -83.151
bonds (distance) P-C4' energy: -78.504
flat angles C4'-P-C4' energy: -98.791
flat angles P-C4'-P energy: -66.316
tors. eta vs tors. theta energy: -117.363
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: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1295.133663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.133663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.133663 (E_RNA)
where:
Base-Base interactions energy: -872.523
where: short stacking energy: -371.564
Base-Backbone interact. energy: 0.843
local terms energy: -423.453629
where:
bonds (distance) C4'-P energy: -80.973
bonds (distance) P-C4' energy: -94.793
flat angles C4'-P-C4' energy: -78.787
flat angles P-C4'-P energy: -66.486
tors. eta vs tors. theta energy: -102.414
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: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1156.598302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.598302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.598302 (E_RNA)
where:
Base-Base interactions energy: -781.617
where: short stacking energy: -338.502
Base-Backbone interact. energy: 1.587
local terms energy: -376.568342
where:
bonds (distance) C4'-P energy: -79.920
bonds (distance) P-C4' energy: -69.163
flat angles C4'-P-C4' energy: -93.357
flat angles P-C4'-P energy: -52.833
tors. eta vs tors. theta energy: -81.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -975.144626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.144626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.144626 (E_RNA)
where:
Base-Base interactions energy: -621.911
where: short stacking energy: -285.364
Base-Backbone interact. energy: 2.081
local terms energy: -355.314252
where:
bonds (distance) C4'-P energy: -63.328
bonds (distance) P-C4' energy: -96.749
flat angles C4'-P-C4' energy: -88.096
flat angles P-C4'-P energy: -53.522
tors. eta vs tors. theta energy: -53.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -816.851438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.851438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.851438 (E_RNA)
where:
Base-Base interactions energy: -494.247
where: short stacking energy: -239.739
Base-Backbone interact. energy: -0.896
local terms energy: -321.708680
where:
bonds (distance) C4'-P energy: -83.670
bonds (distance) P-C4' energy: -73.776
flat angles C4'-P-C4' energy: -77.820
flat angles P-C4'-P energy: -56.079
tors. eta vs tors. theta energy: -30.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -678.455560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.455560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.455560 (E_RNA)
where:
Base-Base interactions energy: -397.596
where: short stacking energy: -175.359
Base-Backbone interact. energy: -1.793
local terms energy: -279.066568
where:
bonds (distance) C4'-P energy: -73.139
bonds (distance) P-C4' energy: -72.306
flat angles C4'-P-C4' energy: -79.746
flat angles P-C4'-P energy: -44.929
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: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -514.519793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.519793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.519793 (E_RNA)
where:
Base-Base interactions energy: -286.302
where: short stacking energy: -131.933
Base-Backbone interact. energy: 2.244
local terms energy: -230.461783
where:
bonds (distance) C4'-P energy: -66.944
bonds (distance) P-C4' energy: -83.385
flat angles C4'-P-C4' energy: -62.088
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1540.642183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.642183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.642183 (E_RNA)
where:
Base-Base interactions energy: -1069.877
where: short stacking energy: -459.531
Base-Backbone interact. energy: -1.038
local terms energy: -469.727693
where:
bonds (distance) C4'-P energy: -86.604
bonds (distance) P-C4' energy: -98.046
flat angles C4'-P-C4' energy: -100.505
flat angles P-C4'-P energy: -60.538
tors. eta vs tors. theta energy: -124.034
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: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1456.315497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.315497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.315497 (E_RNA)
where:
Base-Base interactions energy: -1001.868
where: short stacking energy: -428.277
Base-Backbone interact. energy: 3.383
local terms energy: -457.831106
where:
bonds (distance) C4'-P energy: -86.122
bonds (distance) P-C4' energy: -95.413
flat angles C4'-P-C4' energy: -107.008
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: -109.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1429.172423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.172423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.172423 (E_RNA)
where:
Base-Base interactions energy: -946.858
where: short stacking energy: -429.673
Base-Backbone interact. energy: -3.560
local terms energy: -478.754240
where:
bonds (distance) C4'-P energy: -82.036
bonds (distance) P-C4' energy: -98.254
flat angles C4'-P-C4' energy: -101.219
flat angles P-C4'-P energy: -66.879
tors. eta vs tors. theta energy: -130.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1340.679393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.679393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.679393 (E_RNA)
where:
Base-Base interactions energy: -910.543
where: short stacking energy: -392.203
Base-Backbone interact. energy: -5.395
local terms energy: -424.741205
where:
bonds (distance) C4'-P energy: -93.398
bonds (distance) P-C4' energy: -81.485
flat angles C4'-P-C4' energy: -89.221
flat angles P-C4'-P energy: -55.599
tors. eta vs tors. theta energy: -105.038
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: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1320.244670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.244670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.244670 (E_RNA)
where:
Base-Base interactions energy: -920.071
where: short stacking energy: -386.094
Base-Backbone interact. energy: -1.421
local terms energy: -398.752335
where:
bonds (distance) C4'-P energy: -85.003
bonds (distance) P-C4' energy: -77.284
flat angles C4'-P-C4' energy: -82.247
flat angles P-C4'-P energy: -62.413
tors. eta vs tors. theta energy: -91.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1143.258722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.258722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.258722 (E_RNA)
where:
Base-Base interactions energy: -764.185
where: short stacking energy: -351.795
Base-Backbone interact. energy: -2.161
local terms energy: -376.912274
where:
bonds (distance) C4'-P energy: -67.494
bonds (distance) P-C4' energy: -79.941
flat angles C4'-P-C4' energy: -82.581
flat angles P-C4'-P energy: -68.093
tors. eta vs tors. theta energy: -78.803
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: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -969.624240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.624240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.624240 (E_RNA)
where:
Base-Base interactions energy: -622.605
where: short stacking energy: -264.680
Base-Backbone interact. energy: -1.771
local terms energy: -345.248074
where:
bonds (distance) C4'-P energy: -84.600
bonds (distance) P-C4' energy: -80.727
flat angles C4'-P-C4' energy: -79.371
flat angles P-C4'-P energy: -39.004
tors. eta vs tors. theta energy: -61.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -846.160113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.160113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.160113 (E_RNA)
where:
Base-Base interactions energy: -508.483
where: short stacking energy: -251.883
Base-Backbone interact. energy: -2.136
local terms energy: -335.541123
where:
bonds (distance) C4'-P energy: -74.515
bonds (distance) P-C4' energy: -83.466
flat angles C4'-P-C4' energy: -77.527
flat angles P-C4'-P energy: -48.040
tors. eta vs tors. theta energy: -51.993
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: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -716.755477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.755477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.755477 (E_RNA)
where:
Base-Base interactions energy: -442.565
where: short stacking energy: -191.092
Base-Backbone interact. energy: -1.394
local terms energy: -272.796710
where:
bonds (distance) C4'-P energy: -75.824
bonds (distance) P-C4' energy: -73.545
flat angles C4'-P-C4' energy: -56.322
flat angles P-C4'-P energy: -45.599
tors. eta vs tors. theta energy: -21.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -535.354008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.354008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.354008 (E_RNA)
where:
Base-Base interactions energy: -275.286
where: short stacking energy: -129.409
Base-Backbone interact. energy: 3.125
local terms energy: -263.192665
where:
bonds (distance) C4'-P energy: -78.588
bonds (distance) P-C4' energy: -74.014
flat angles C4'-P-C4' energy: -68.305
flat angles P-C4'-P energy: -44.725
tors. eta vs tors. theta energy: 2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1535.293236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.293236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.293236 (E_RNA)
where:
Base-Base interactions energy: -1036.645
where: short stacking energy: -458.106
Base-Backbone interact. energy: -1.185
local terms energy: -497.463263
where:
bonds (distance) C4'-P energy: -87.710
bonds (distance) P-C4' energy: -99.147
flat angles C4'-P-C4' energy: -107.049
flat angles P-C4'-P energy: -72.838
tors. eta vs tors. theta energy: -130.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1450.903378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.903378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.903378 (E_RNA)
where:
Base-Base interactions energy: -997.559
where: short stacking energy: -435.191
Base-Backbone interact. energy: -3.113
local terms energy: -450.232024
where:
bonds (distance) C4'-P energy: -83.695
bonds (distance) P-C4' energy: -89.705
flat angles C4'-P-C4' energy: -95.584
flat angles P-C4'-P energy: -55.706
tors. eta vs tors. theta energy: -125.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1406.231192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.231192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.231192 (E_RNA)
where:
Base-Base interactions energy: -945.816
where: short stacking energy: -430.763
Base-Backbone interact. energy: -2.160
local terms energy: -458.255475
where:
bonds (distance) C4'-P energy: -89.340
bonds (distance) P-C4' energy: -85.944
flat angles C4'-P-C4' energy: -109.006
flat angles P-C4'-P energy: -59.121
tors. eta vs tors. theta energy: -114.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1382.926453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.926453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.926453 (E_RNA)
where:
Base-Base interactions energy: -939.596
where: short stacking energy: -406.844
Base-Backbone interact. energy: -2.462
local terms energy: -440.868323
where:
bonds (distance) C4'-P energy: -82.412
bonds (distance) P-C4' energy: -89.501
flat angles C4'-P-C4' energy: -104.237
flat angles P-C4'-P energy: -61.221
tors. eta vs tors. theta energy: -103.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1336.681364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.681364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.681364 (E_RNA)
where:
Base-Base interactions energy: -934.000
where: short stacking energy: -399.130
Base-Backbone interact. energy: -0.183
local terms energy: -402.498324
where:
bonds (distance) C4'-P energy: -70.429
bonds (distance) P-C4' energy: -73.697
flat angles C4'-P-C4' energy: -88.991
flat angles P-C4'-P energy: -59.384
tors. eta vs tors. theta energy: -109.997
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: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1107.674517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.674517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.674517 (E_RNA)
where:
Base-Base interactions energy: -740.251
where: short stacking energy: -340.420
Base-Backbone interact. energy: 2.909
local terms energy: -370.332473
where:
bonds (distance) C4'-P energy: -74.024
bonds (distance) P-C4' energy: -87.442
flat angles C4'-P-C4' energy: -86.320
flat angles P-C4'-P energy: -42.355
tors. eta vs tors. theta energy: -80.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -987.806712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.806712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.806712 (E_RNA)
where:
Base-Base interactions energy: -631.812
where: short stacking energy: -285.842
Base-Backbone interact. energy: -3.660
local terms energy: -352.334804
where:
bonds (distance) C4'-P energy: -68.723
bonds (distance) P-C4' energy: -88.585
flat angles C4'-P-C4' energy: -72.858
flat angles P-C4'-P energy: -56.745
tors. eta vs tors. theta energy: -65.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -807.347529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.347529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.347529 (E_RNA)
where:
Base-Base interactions energy: -495.353
where: short stacking energy: -231.579
Base-Backbone interact. energy: 2.878
local terms energy: -314.872125
where:
bonds (distance) C4'-P energy: -83.571
bonds (distance) P-C4' energy: -64.075
flat angles C4'-P-C4' energy: -91.725
flat angles P-C4'-P energy: -46.532
tors. eta vs tors. theta energy: -28.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -750.286146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.286146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.286146 (E_RNA)
where:
Base-Base interactions energy: -455.165
where: short stacking energy: -195.940
Base-Backbone interact. energy: -1.257
local terms energy: -293.864503
where:
bonds (distance) C4'-P energy: -76.771
bonds (distance) P-C4' energy: -76.158
flat angles C4'-P-C4' energy: -64.457
flat angles P-C4'-P energy: -47.727
tors. eta vs tors. theta energy: -28.752
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: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -634.353156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.353156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.353156 (E_RNA)
where:
Base-Base interactions energy: -368.401
where: short stacking energy: -190.846
Base-Backbone interact. energy: 1.177
local terms energy: -267.129484
where:
bonds (distance) C4'-P energy: -72.091
bonds (distance) P-C4' energy: -65.027
flat angles C4'-P-C4' energy: -65.273
flat angles P-C4'-P energy: -40.325
tors. eta vs tors. theta energy: -24.413
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: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1556.661480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.661480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.661480 (E_RNA)
where:
Base-Base interactions energy: -1075.798
where: short stacking energy: -432.409
Base-Backbone interact. energy: -2.110
local terms energy: -478.753387
where:
bonds (distance) C4'-P energy: -93.775
bonds (distance) P-C4' energy: -86.415
flat angles C4'-P-C4' energy: -102.584
flat angles P-C4'-P energy: -75.701
tors. eta vs tors. theta energy: -120.278
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: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1463.705414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.705414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.705414 (E_RNA)
where:
Base-Base interactions energy: -985.857
where: short stacking energy: -444.804
Base-Backbone interact. energy: -1.583
local terms energy: -476.265370
where:
bonds (distance) C4'-P energy: -92.506
bonds (distance) P-C4' energy: -82.591
flat angles C4'-P-C4' energy: -107.586
flat angles P-C4'-P energy: -75.859
tors. eta vs tors. theta energy: -117.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1388.776764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.776764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.776764 (E_RNA)
where:
Base-Base interactions energy: -943.728
where: short stacking energy: -412.071
Base-Backbone interact. energy: -1.351
local terms energy: -443.697740
where:
bonds (distance) C4'-P energy: -91.501
bonds (distance) P-C4' energy: -82.572
flat angles C4'-P-C4' energy: -97.698
flat angles P-C4'-P energy: -66.192
tors. eta vs tors. theta energy: -105.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1355.076442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.076442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.076442 (E_RNA)
where:
Base-Base interactions energy: -948.611
where: short stacking energy: -381.935
Base-Backbone interact. energy: -1.855
local terms energy: -404.610990
where:
bonds (distance) C4'-P energy: -64.027
bonds (distance) P-C4' energy: -88.942
flat angles C4'-P-C4' energy: -96.460
flat angles P-C4'-P energy: -54.816
tors. eta vs tors. theta energy: -100.365
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: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1307.619139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.619139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.619139 (E_RNA)
where:
Base-Base interactions energy: -898.612
where: short stacking energy: -390.557
Base-Backbone interact. energy: 2.246
local terms energy: -411.252342
where:
bonds (distance) C4'-P energy: -83.895
bonds (distance) P-C4' energy: -90.378
flat angles C4'-P-C4' energy: -95.553
flat angles P-C4'-P energy: -44.972
tors. eta vs tors. theta energy: -96.454
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: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1139.829699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.829699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.829699 (E_RNA)
where:
Base-Base interactions energy: -749.053
where: short stacking energy: -322.995
Base-Backbone interact. energy: 1.666
local terms energy: -392.442952
where:
bonds (distance) C4'-P energy: -83.553
bonds (distance) P-C4' energy: -85.700
flat angles C4'-P-C4' energy: -85.928
flat angles P-C4'-P energy: -55.195
tors. eta vs tors. theta energy: -82.066
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: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1003.643820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.643820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.643820 (E_RNA)
where:
Base-Base interactions energy: -653.749
where: short stacking energy: -304.691
Base-Backbone interact. energy: -1.791
local terms energy: -348.103344
where:
bonds (distance) C4'-P energy: -72.384
bonds (distance) P-C4' energy: -85.153
flat angles C4'-P-C4' energy: -71.366
flat angles P-C4'-P energy: -49.639
tors. eta vs tors. theta energy: -69.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -837.733343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.733343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.733343 (E_RNA)
where:
Base-Base interactions energy: -510.517
where: short stacking energy: -241.162
Base-Backbone interact. energy: -1.679
local terms energy: -325.536673
where:
bonds (distance) C4'-P energy: -86.479
bonds (distance) P-C4' energy: -76.067
flat angles C4'-P-C4' energy: -81.793
flat angles P-C4'-P energy: -51.223
tors. eta vs tors. theta energy: -29.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -691.491489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.491489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.491489 (E_RNA)
where:
Base-Base interactions energy: -396.028
where: short stacking energy: -184.458
Base-Backbone interact. energy: -2.235
local terms energy: -293.228391
where:
bonds (distance) C4'-P energy: -78.561
bonds (distance) P-C4' energy: -75.154
flat angles C4'-P-C4' energy: -81.217
flat angles P-C4'-P energy: -41.400
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -568.985469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.985469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.985469 (E_RNA)
where:
Base-Base interactions energy: -313.002
where: short stacking energy: -156.579
Base-Backbone interact. energy: -0.770
local terms energy: -255.213946
where:
bonds (distance) C4'-P energy: -75.776
bonds (distance) P-C4' energy: -80.472
flat angles C4'-P-C4' energy: -58.080
flat angles P-C4'-P energy: -41.524
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1537.980146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.980146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.980146 (E_RNA)
where:
Base-Base interactions energy: -1051.769
where: short stacking energy: -453.546
Base-Backbone interact. energy: -1.008
local terms energy: -485.203308
where:
bonds (distance) C4'-P energy: -89.973
bonds (distance) P-C4' energy: -100.429
flat angles C4'-P-C4' energy: -102.900
flat angles P-C4'-P energy: -68.854
tors. eta vs tors. theta energy: -123.047
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: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1471.856120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.856120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.856120 (E_RNA)
where:
Base-Base interactions energy: -979.910
where: short stacking energy: -454.498
Base-Backbone interact. energy: 0.410
local terms energy: -492.355403
where:
bonds (distance) C4'-P energy: -92.037
bonds (distance) P-C4' energy: -89.838
flat angles C4'-P-C4' energy: -106.637
flat angles P-C4'-P energy: -67.156
tors. eta vs tors. theta energy: -136.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1392.137166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.137166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.137166 (E_RNA)
where:
Base-Base interactions energy: -937.069
where: short stacking energy: -411.110
Base-Backbone interact. energy: -0.014
local terms energy: -455.054253
where:
bonds (distance) C4'-P energy: -88.733
bonds (distance) P-C4' energy: -81.263
flat angles C4'-P-C4' energy: -105.749
flat angles P-C4'-P energy: -62.179
tors. eta vs tors. theta energy: -117.130
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: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1371.804450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.804450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.804450 (E_RNA)
where:
Base-Base interactions energy: -940.593
where: short stacking energy: -413.412
Base-Backbone interact. energy: -1.943
local terms energy: -429.268571
where:
bonds (distance) C4'-P energy: -88.336
bonds (distance) P-C4' energy: -85.014
flat angles C4'-P-C4' energy: -91.008
flat angles P-C4'-P energy: -54.934
tors. eta vs tors. theta energy: -109.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1308.469055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.469055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.469055 (E_RNA)
where:
Base-Base interactions energy: -894.137
where: short stacking energy: -382.305
Base-Backbone interact. energy: -1.558
local terms energy: -412.773895
where:
bonds (distance) C4'-P energy: -72.946
bonds (distance) P-C4' energy: -81.523
flat angles C4'-P-C4' energy: -97.815
flat angles P-C4'-P energy: -61.737
tors. eta vs tors. theta energy: -98.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1156.673768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.673768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.673768 (E_RNA)
where:
Base-Base interactions energy: -754.022
where: short stacking energy: -349.686
Base-Backbone interact. energy: -1.436
local terms energy: -401.215968
where:
bonds (distance) C4'-P energy: -90.785
bonds (distance) P-C4' energy: -86.569
flat angles C4'-P-C4' energy: -84.816
flat angles P-C4'-P energy: -58.309
tors. eta vs tors. theta energy: -80.737
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: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -954.164047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.164047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.164047 (E_RNA)
where:
Base-Base interactions energy: -587.822
where: short stacking energy: -275.126
Base-Backbone interact. energy: -0.140
local terms energy: -366.202084
where:
bonds (distance) C4'-P energy: -85.780
bonds (distance) P-C4' energy: -90.224
flat angles C4'-P-C4' energy: -84.898
flat angles P-C4'-P energy: -53.856
tors. eta vs tors. theta energy: -51.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -857.886866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.886866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.886866 (E_RNA)
where:
Base-Base interactions energy: -509.142
where: short stacking energy: -257.607
Base-Backbone interact. energy: 5.611
local terms energy: -354.356057
where:
bonds (distance) C4'-P energy: -79.739
bonds (distance) P-C4' energy: -73.356
flat angles C4'-P-C4' energy: -85.581
flat angles P-C4'-P energy: -68.673
tors. eta vs tors. theta energy: -47.008
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: 110
Temperature: 1.300000
Total energy: -720.793794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.793794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.793794 (E_RNA)
where:
Base-Base interactions energy: -417.863
where: short stacking energy: -193.506
Base-Backbone interact. energy: 0.883
local terms energy: -303.813521
where:
bonds (distance) C4'-P energy: -66.752
bonds (distance) P-C4' energy: -84.770
flat angles C4'-P-C4' energy: -77.441
flat angles P-C4'-P energy: -51.025
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -593.913191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.913191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.913191 (E_RNA)
where:
Base-Base interactions energy: -325.159
where: short stacking energy: -183.168
Base-Backbone interact. energy: -2.284
local terms energy: -266.471080
where:
bonds (distance) C4'-P energy: -68.818
bonds (distance) P-C4' energy: -79.835
flat angles C4'-P-C4' energy: -58.261
flat angles P-C4'-P energy: -46.256
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: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1582.769385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.769385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.769385 (E_RNA)
where:
Base-Base interactions energy: -1078.285
where: short stacking energy: -478.552
Base-Backbone interact. energy: -2.407
local terms energy: -502.076872
where:
bonds (distance) C4'-P energy: -94.241
bonds (distance) P-C4' energy: -95.814
flat angles C4'-P-C4' energy: -100.527
flat angles P-C4'-P energy: -76.101
tors. eta vs tors. theta energy: -135.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1459.227825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.227825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.227825 (E_RNA)
where:
Base-Base interactions energy: -989.625
where: short stacking energy: -440.674
Base-Backbone interact. energy: -1.164
local terms energy: -468.439437
where:
bonds (distance) C4'-P energy: -89.011
bonds (distance) P-C4' energy: -80.503
flat angles C4'-P-C4' energy: -105.923
flat angles P-C4'-P energy: -66.213
tors. eta vs tors. theta energy: -126.789
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: 111
Temperature: 1.000000
Total energy: -1441.397825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.397825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.397825 (E_RNA)
where:
Base-Base interactions energy: -981.358
where: short stacking energy: -420.802
Base-Backbone interact. energy: -1.785
local terms energy: -458.254643
where:
bonds (distance) C4'-P energy: -83.803
bonds (distance) P-C4' energy: -90.046
flat angles C4'-P-C4' energy: -97.273
flat angles P-C4'-P energy: -64.211
tors. eta vs tors. theta energy: -122.922
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: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1353.266103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.266103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.266103 (E_RNA)
where:
Base-Base interactions energy: -913.856
where: short stacking energy: -403.119
Base-Backbone interact. energy: -0.266
local terms energy: -439.143250
where:
bonds (distance) C4'-P energy: -86.334
bonds (distance) P-C4' energy: -88.218
flat angles C4'-P-C4' energy: -83.591
flat angles P-C4'-P energy: -69.856
tors. eta vs tors. theta energy: -111.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1307.357879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.357879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.357879 (E_RNA)
where:
Base-Base interactions energy: -896.543
where: short stacking energy: -373.153
Base-Backbone interact. energy: -0.868
local terms energy: -409.947494
where:
bonds (distance) C4'-P energy: -76.958
bonds (distance) P-C4' energy: -76.123
flat angles C4'-P-C4' energy: -98.663
flat angles P-C4'-P energy: -68.250
tors. eta vs tors. theta energy: -89.954
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: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1104.018299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.018299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.018299 (E_RNA)
where:
Base-Base interactions energy: -741.068
where: short stacking energy: -337.353
Base-Backbone interact. energy: -0.995
local terms energy: -361.955524
where:
bonds (distance) C4'-P energy: -76.349
bonds (distance) P-C4' energy: -80.117
flat angles C4'-P-C4' energy: -88.935
flat angles P-C4'-P energy: -49.616
tors. eta vs tors. theta energy: -66.938
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: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -978.733526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.733526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.733526 (E_RNA)
where:
Base-Base interactions energy: -622.024
where: short stacking energy: -292.064
Base-Backbone interact. energy: 0.399
local terms energy: -357.108752
where:
bonds (distance) C4'-P energy: -79.952
bonds (distance) P-C4' energy: -92.673
flat angles C4'-P-C4' energy: -78.202
flat angles P-C4'-P energy: -53.949
tors. eta vs tors. theta energy: -52.333
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: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -861.693740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.693740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.693740 (E_RNA)
where:
Base-Base interactions energy: -537.466
where: short stacking energy: -277.317
Base-Backbone interact. energy: -1.943
local terms energy: -322.285635
where:
bonds (distance) C4'-P energy: -71.243
bonds (distance) P-C4' energy: -73.841
flat angles C4'-P-C4' energy: -81.738
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -58.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -739.480329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.480329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.480329 (E_RNA)
where:
Base-Base interactions energy: -453.125
where: short stacking energy: -224.125
Base-Backbone interact. energy: -1.060
local terms energy: -285.295321
where:
bonds (distance) C4'-P energy: -74.290
bonds (distance) P-C4' energy: -68.002
flat angles C4'-P-C4' energy: -62.887
flat angles P-C4'-P energy: -45.656
tors. eta vs tors. theta energy: -34.460
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: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -563.643979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.643979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.643979 (E_RNA)
where:
Base-Base interactions energy: -298.690
where: short stacking energy: -149.716
Base-Backbone interact. energy: -0.301
local terms energy: -264.653404
where:
bonds (distance) C4'-P energy: -79.058
bonds (distance) P-C4' energy: -71.941
flat angles C4'-P-C4' energy: -66.627
flat angles P-C4'-P energy: -39.463
tors. eta vs tors. theta energy: -7.564
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: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1558.148336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.148336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.148336 (E_RNA)
where:
Base-Base interactions energy: -1058.788
where: short stacking energy: -464.422
Base-Backbone interact. energy: -2.437
local terms energy: -496.923738
where:
bonds (distance) C4'-P energy: -94.957
bonds (distance) P-C4' energy: -98.273
flat angles C4'-P-C4' energy: -103.244
flat angles P-C4'-P energy: -68.252
tors. eta vs tors. theta energy: -132.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1479.935927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.935927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.935927 (E_RNA)
where:
Base-Base interactions energy: -1004.179
where: short stacking energy: -450.581
Base-Backbone interact. energy: -1.972
local terms energy: -473.785016
where:
bonds (distance) C4'-P energy: -81.859
bonds (distance) P-C4' energy: -93.454
flat angles C4'-P-C4' energy: -108.797
flat angles P-C4'-P energy: -70.143
tors. eta vs tors. theta energy: -119.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1439.845115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.845115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.845115 (E_RNA)
where:
Base-Base interactions energy: -972.823
where: short stacking energy: -428.060
Base-Backbone interact. energy: 1.120
local terms energy: -468.141552
where:
bonds (distance) C4'-P energy: -89.776
bonds (distance) P-C4' energy: -83.756
flat angles C4'-P-C4' energy: -99.714
flat angles P-C4'-P energy: -71.416
tors. eta vs tors. theta energy: -123.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1331.788968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.788968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.788968 (E_RNA)
where:
Base-Base interactions energy: -940.109
where: short stacking energy: -395.176
Base-Backbone interact. energy: -1.508
local terms energy: -390.172378
where:
bonds (distance) C4'-P energy: -77.222
bonds (distance) P-C4' energy: -70.180
flat angles C4'-P-C4' energy: -95.971
flat angles P-C4'-P energy: -51.189
tors. eta vs tors. theta energy: -95.610
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: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1293.032841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.032841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.032841 (E_RNA)
where:
Base-Base interactions energy: -862.940
where: short stacking energy: -377.329
Base-Backbone interact. energy: -0.555
local terms energy: -429.537827
where:
bonds (distance) C4'-P energy: -83.793
bonds (distance) P-C4' energy: -87.787
flat angles C4'-P-C4' energy: -85.911
flat angles P-C4'-P energy: -69.480
tors. eta vs tors. theta energy: -102.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1107.564097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.564097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.564097 (E_RNA)
where:
Base-Base interactions energy: -732.419
where: short stacking energy: -316.400
Base-Backbone interact. energy: 0.302
local terms energy: -375.446477
where:
bonds (distance) C4'-P energy: -73.065
bonds (distance) P-C4' energy: -79.432
flat angles C4'-P-C4' energy: -92.658
flat angles P-C4'-P energy: -54.879
tors. eta vs tors. theta energy: -75.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -917.267118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.267118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.267118 (E_RNA)
where:
Base-Base interactions energy: -601.316
where: short stacking energy: -258.046
Base-Backbone interact. energy: -3.352
local terms energy: -312.599141
where:
bonds (distance) C4'-P energy: -71.667
bonds (distance) P-C4' energy: -86.657
flat angles C4'-P-C4' energy: -68.032
flat angles P-C4'-P energy: -33.027
tors. eta vs tors. theta energy: -53.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -851.627611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.627611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.627611 (E_RNA)
where:
Base-Base interactions energy: -564.862
where: short stacking energy: -241.948
Base-Backbone interact. energy: -1.158
local terms energy: -285.607206
where:
bonds (distance) C4'-P energy: -64.506
bonds (distance) P-C4' energy: -72.240
flat angles C4'-P-C4' energy: -70.925
flat angles P-C4'-P energy: -38.486
tors. eta vs tors. theta energy: -39.450
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: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -742.358978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.358978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.358978 (E_RNA)
where:
Base-Base interactions energy: -446.795
where: short stacking energy: -213.331
Base-Backbone interact. energy: 0.313
local terms energy: -295.877125
where:
bonds (distance) C4'-P energy: -73.116
bonds (distance) P-C4' energy: -85.827
flat angles C4'-P-C4' energy: -79.281
flat angles P-C4'-P energy: -32.768
tors. eta vs tors. theta energy: -24.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -644.785658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.785658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.785658 (E_RNA)
where:
Base-Base interactions energy: -361.668
where: short stacking energy: -182.967
Base-Backbone interact. energy: 0.065
local terms energy: -283.183461
where:
bonds (distance) C4'-P energy: -61.596
bonds (distance) P-C4' energy: -71.962
flat angles C4'-P-C4' energy: -70.889
flat angles P-C4'-P energy: -59.507
tors. eta vs tors. theta energy: -19.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1582.591212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.591212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.591212 (E_RNA)
where:
Base-Base interactions energy: -1103.977
where: short stacking energy: -473.540
Base-Backbone interact. energy: -0.523
local terms energy: -478.090438
where:
bonds (distance) C4'-P energy: -83.489
bonds (distance) P-C4' energy: -101.007
flat angles C4'-P-C4' energy: -89.776
flat angles P-C4'-P energy: -65.936
tors. eta vs tors. theta energy: -137.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1482.697733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.697733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.697733 (E_RNA)
where:
Base-Base interactions energy: -1026.282
where: short stacking energy: -441.861
Base-Backbone interact. energy: -3.801
local terms energy: -452.614639
where:
bonds (distance) C4'-P energy: -78.297
bonds (distance) P-C4' energy: -89.059
flat angles C4'-P-C4' energy: -88.282
flat angles P-C4'-P energy: -74.796
tors. eta vs tors. theta energy: -122.181
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: 113
Temperature: 1.000000
Total energy: -1436.913978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.913978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.913978 (E_RNA)
where:
Base-Base interactions energy: -980.267
where: short stacking energy: -443.880
Base-Backbone interact. energy: -3.896
local terms energy: -452.750429
where:
bonds (distance) C4'-P energy: -89.499
bonds (distance) P-C4' energy: -93.545
flat angles C4'-P-C4' energy: -101.757
flat angles P-C4'-P energy: -49.247
tors. eta vs tors. theta energy: -118.703
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: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1348.904969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.904969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.904969 (E_RNA)
where:
Base-Base interactions energy: -927.160
where: short stacking energy: -401.049
Base-Backbone interact. energy: -1.523
local terms energy: -420.221355
where:
bonds (distance) C4'-P energy: -90.360
bonds (distance) P-C4' energy: -80.234
flat angles C4'-P-C4' energy: -89.657
flat angles P-C4'-P energy: -71.570
tors. eta vs tors. theta energy: -88.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1332.979515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.979515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.979515 (E_RNA)
where:
Base-Base interactions energy: -902.602
where: short stacking energy: -389.134
Base-Backbone interact. energy: -2.733
local terms energy: -427.644760
where:
bonds (distance) C4'-P energy: -70.027
bonds (distance) P-C4' energy: -89.859
flat angles C4'-P-C4' energy: -94.660
flat angles P-C4'-P energy: -63.633
tors. eta vs tors. theta energy: -109.466
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: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1110.606266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.606266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.606266 (E_RNA)
where:
Base-Base interactions energy: -732.883
where: short stacking energy: -346.692
Base-Backbone interact. energy: -3.053
local terms energy: -374.670477
where:
bonds (distance) C4'-P energy: -75.681
bonds (distance) P-C4' energy: -75.879
flat angles C4'-P-C4' energy: -82.800
flat angles P-C4'-P energy: -60.861
tors. eta vs tors. theta energy: -79.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -867.481883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.481883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.481883 (E_RNA)
where:
Base-Base interactions energy: -562.090
where: short stacking energy: -258.010
Base-Backbone interact. energy: -0.732
local terms energy: -304.659517
where:
bonds (distance) C4'-P energy: -61.285
bonds (distance) P-C4' energy: -69.858
flat angles C4'-P-C4' energy: -84.835
flat angles P-C4'-P energy: -44.549
tors. eta vs tors. theta energy: -44.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -848.978859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.978859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.978859 (E_RNA)
where:
Base-Base interactions energy: -534.845
where: short stacking energy: -252.727
Base-Backbone interact. energy: 3.285
local terms energy: -317.419099
where:
bonds (distance) C4'-P energy: -74.913
bonds (distance) P-C4' energy: -63.267
flat angles C4'-P-C4' energy: -89.343
flat angles P-C4'-P energy: -55.740
tors. eta vs tors. theta energy: -34.156
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: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -719.267282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.267282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.267282 (E_RNA)
where:
Base-Base interactions energy: -450.446
where: short stacking energy: -210.720
Base-Backbone interact. energy: -0.234
local terms energy: -268.587998
where:
bonds (distance) C4'-P energy: -76.612
bonds (distance) P-C4' energy: -84.435
flat angles C4'-P-C4' energy: -69.919
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -669.306893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.306893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.306893 (E_RNA)
where:
Base-Base interactions energy: -397.114
where: short stacking energy: -176.841
Base-Backbone interact. energy: 3.443
local terms energy: -275.635817
where:
bonds (distance) C4'-P energy: -74.768
bonds (distance) P-C4' energy: -89.420
flat angles C4'-P-C4' energy: -80.661
flat angles P-C4'-P energy: -28.712
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1564.829520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.829520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.829520 (E_RNA)
where:
Base-Base interactions energy: -1098.108
where: short stacking energy: -460.489
Base-Backbone interact. energy: -2.229
local terms energy: -464.492102
where:
bonds (distance) C4'-P energy: -92.247
bonds (distance) P-C4' energy: -82.452
flat angles C4'-P-C4' energy: -92.577
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: -133.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1480.992959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.992959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.992959 (E_RNA)
where:
Base-Base interactions energy: -1004.399
where: short stacking energy: -436.923
Base-Backbone interact. energy: -1.283
local terms energy: -475.310445
where:
bonds (distance) C4'-P energy: -92.337
bonds (distance) P-C4' energy: -92.678
flat angles C4'-P-C4' energy: -102.592
flat angles P-C4'-P energy: -67.711
tors. eta vs tors. theta energy: -119.992
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: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1448.784188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.784188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.784188 (E_RNA)
where:
Base-Base interactions energy: -975.597
where: short stacking energy: -445.768
Base-Backbone interact. energy: -2.009
local terms energy: -471.177808
where:
bonds (distance) C4'-P energy: -94.921
bonds (distance) P-C4' energy: -88.002
flat angles C4'-P-C4' energy: -96.850
flat angles P-C4'-P energy: -61.862
tors. eta vs tors. theta energy: -129.543
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: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1303.160751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.160751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.160751 (E_RNA)
where:
Base-Base interactions energy: -879.825
where: short stacking energy: -372.945
Base-Backbone interact. energy: 4.760
local terms energy: -428.095969
where:
bonds (distance) C4'-P energy: -83.849
bonds (distance) P-C4' energy: -93.280
flat angles C4'-P-C4' energy: -95.259
flat angles P-C4'-P energy: -58.553
tors. eta vs tors. theta energy: -97.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1339.600947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.600947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.600947 (E_RNA)
where:
Base-Base interactions energy: -922.264
where: short stacking energy: -418.080
Base-Backbone interact. energy: -3.432
local terms energy: -413.905677
where:
bonds (distance) C4'-P energy: -68.204
bonds (distance) P-C4' energy: -74.811
flat angles C4'-P-C4' energy: -101.966
flat angles P-C4'-P energy: -62.398
tors. eta vs tors. theta energy: -106.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1092.847806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.847806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.847806 (E_RNA)
where:
Base-Base interactions energy: -720.265
where: short stacking energy: -321.953
Base-Backbone interact. energy: -0.371
local terms energy: -372.211918
where:
bonds (distance) C4'-P energy: -85.371
bonds (distance) P-C4' energy: -80.421
flat angles C4'-P-C4' energy: -82.407
flat angles P-C4'-P energy: -47.130
tors. eta vs tors. theta energy: -76.883
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: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -879.943797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.943797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.943797 (E_RNA)
where:
Base-Base interactions energy: -576.975
where: short stacking energy: -266.291
Base-Backbone interact. energy: -2.296
local terms energy: -300.672987
where:
bonds (distance) C4'-P energy: -72.955
bonds (distance) P-C4' energy: -73.957
flat angles C4'-P-C4' energy: -77.301
flat angles P-C4'-P energy: -37.512
tors. eta vs tors. theta energy: -38.947
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: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -782.452195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.452195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.452195 (E_RNA)
where:
Base-Base interactions energy: -475.229
where: short stacking energy: -230.353
Base-Backbone interact. energy: -1.546
local terms energy: -305.677781
where:
bonds (distance) C4'-P energy: -80.942
bonds (distance) P-C4' energy: -73.594
flat angles C4'-P-C4' energy: -83.839
flat angles P-C4'-P energy: -34.012
tors. eta vs tors. theta energy: -33.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -754.811561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.811561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.811561 (E_RNA)
where:
Base-Base interactions energy: -434.832
where: short stacking energy: -202.676
Base-Backbone interact. energy: -1.712
local terms energy: -318.268069
where:
bonds (distance) C4'-P energy: -76.303
bonds (distance) P-C4' energy: -81.907
flat angles C4'-P-C4' energy: -71.768
flat angles P-C4'-P energy: -53.750
tors. eta vs tors. theta energy: -34.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -666.374605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.374605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.374605 (E_RNA)
where:
Base-Base interactions energy: -403.313
where: short stacking energy: -183.480
Base-Backbone interact. energy: -0.877
local terms energy: -262.184105
where:
bonds (distance) C4'-P energy: -63.249
bonds (distance) P-C4' energy: -70.828
flat angles C4'-P-C4' energy: -55.692
flat angles P-C4'-P energy: -43.747
tors. eta vs tors. theta energy: -28.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1571.827277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.827277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.827277 (E_RNA)
where:
Base-Base interactions energy: -1083.010
where: short stacking energy: -483.323
Base-Backbone interact. energy: -1.307
local terms energy: -487.510863
where:
bonds (distance) C4'-P energy: -93.250
bonds (distance) P-C4' energy: -95.176
flat angles C4'-P-C4' energy: -99.102
flat angles P-C4'-P energy: -56.534
tors. eta vs tors. theta energy: -143.448
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: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1459.619200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.619200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.619200 (E_RNA)
where:
Base-Base interactions energy: -988.881
where: short stacking energy: -411.365
Base-Backbone interact. energy: -3.808
local terms energy: -466.930168
where:
bonds (distance) C4'-P energy: -83.692
bonds (distance) P-C4' energy: -97.435
flat angles C4'-P-C4' energy: -101.521
flat angles P-C4'-P energy: -68.968
tors. eta vs tors. theta energy: -115.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1395.426480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.426480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.426480 (E_RNA)
where:
Base-Base interactions energy: -941.430
where: short stacking energy: -411.270
Base-Backbone interact. energy: -2.405
local terms energy: -451.591498
where:
bonds (distance) C4'-P energy: -87.315
bonds (distance) P-C4' energy: -83.361
flat angles C4'-P-C4' energy: -95.021
flat angles P-C4'-P energy: -70.170
tors. eta vs tors. theta energy: -115.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1348.641299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.641299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.641299 (E_RNA)
where:
Base-Base interactions energy: -918.332
where: short stacking energy: -410.750
Base-Backbone interact. energy: 1.095
local terms energy: -431.404671
where:
bonds (distance) C4'-P energy: -80.843
bonds (distance) P-C4' energy: -87.324
flat angles C4'-P-C4' energy: -94.403
flat angles P-C4'-P energy: -60.595
tors. eta vs tors. theta energy: -108.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1302.476356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.476356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.476356 (E_RNA)
where:
Base-Base interactions energy: -884.860
where: short stacking energy: -387.663
Base-Backbone interact. energy: -0.459
local terms energy: -417.157026
where:
bonds (distance) C4'-P energy: -89.782
bonds (distance) P-C4' energy: -89.379
flat angles C4'-P-C4' energy: -82.906
flat angles P-C4'-P energy: -47.898
tors. eta vs tors. theta energy: -107.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1097.778160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.778160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.778160 (E_RNA)
where:
Base-Base interactions energy: -719.558
where: short stacking energy: -319.323
Base-Backbone interact. energy: 2.137
local terms energy: -380.357121
where:
bonds (distance) C4'-P energy: -70.109
bonds (distance) P-C4' energy: -94.784
flat angles C4'-P-C4' energy: -92.898
flat angles P-C4'-P energy: -55.946
tors. eta vs tors. theta energy: -66.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -875.329426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.329426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.329426 (E_RNA)
where:
Base-Base interactions energy: -558.760
where: short stacking energy: -260.819
Base-Backbone interact. energy: -2.088
local terms energy: -314.480696
where:
bonds (distance) C4'-P energy: -60.790
bonds (distance) P-C4' energy: -82.647
flat angles C4'-P-C4' energy: -87.382
flat angles P-C4'-P energy: -33.691
tors. eta vs tors. theta energy: -49.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -816.181869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.181869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.181869 (E_RNA)
where:
Base-Base interactions energy: -514.678
where: short stacking energy: -262.910
Base-Backbone interact. energy: 3.615
local terms energy: -305.118949
where:
bonds (distance) C4'-P energy: -79.199
bonds (distance) P-C4' energy: -61.474
flat angles C4'-P-C4' energy: -79.191
flat angles P-C4'-P energy: -35.397
tors. eta vs tors. theta energy: -49.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -712.109345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.109345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.109345 (E_RNA)
where:
Base-Base interactions energy: -432.480
where: short stacking energy: -196.096
Base-Backbone interact. energy: -0.468
local terms energy: -279.161746
where:
bonds (distance) C4'-P energy: -67.589
bonds (distance) P-C4' energy: -86.477
flat angles C4'-P-C4' energy: -82.311
flat angles P-C4'-P energy: -30.754
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: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -688.158479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.158479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.158479 (E_RNA)
where:
Base-Base interactions energy: -410.580
where: short stacking energy: -201.438
Base-Backbone interact. energy: 3.371
local terms energy: -280.949284
where:
bonds (distance) C4'-P energy: -54.225
bonds (distance) P-C4' energy: -69.950
flat angles C4'-P-C4' energy: -91.170
flat angles P-C4'-P energy: -42.957
tors. eta vs tors. theta energy: -22.647
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: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1569.333154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.333154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.333154 (E_RNA)
where:
Base-Base interactions energy: -1090.081
where: short stacking energy: -488.006
Base-Backbone interact. energy: -0.633
local terms energy: -478.619998
where:
bonds (distance) C4'-P energy: -85.374
bonds (distance) P-C4' energy: -88.738
flat angles C4'-P-C4' energy: -100.406
flat angles P-C4'-P energy: -64.496
tors. eta vs tors. theta energy: -139.607
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: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1489.918858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.918858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.918858 (E_RNA)
where:
Base-Base interactions energy: -1020.164
where: short stacking energy: -455.428
Base-Backbone interact. energy: -3.668
local terms energy: -466.086348
where:
bonds (distance) C4'-P energy: -92.316
bonds (distance) P-C4' energy: -97.847
flat angles C4'-P-C4' energy: -87.279
flat angles P-C4'-P energy: -65.698
tors. eta vs tors. theta energy: -122.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1397.751454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.751454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.751454 (E_RNA)
where:
Base-Base interactions energy: -952.307
where: short stacking energy: -458.994
Base-Backbone interact. energy: 1.474
local terms energy: -446.918036
where:
bonds (distance) C4'-P energy: -88.507
bonds (distance) P-C4' energy: -79.347
flat angles C4'-P-C4' energy: -96.629
flat angles P-C4'-P energy: -56.468
tors. eta vs tors. theta energy: -125.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1380.199433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.199433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.199433 (E_RNA)
where:
Base-Base interactions energy: -945.451
where: short stacking energy: -424.954
Base-Backbone interact. energy: 0.237
local terms energy: -434.985086
where:
bonds (distance) C4'-P energy: -88.774
bonds (distance) P-C4' energy: -84.883
flat angles C4'-P-C4' energy: -94.500
flat angles P-C4'-P energy: -57.956
tors. eta vs tors. theta energy: -108.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1278.720565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.720565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.720565 (E_RNA)
where:
Base-Base interactions energy: -853.918
where: short stacking energy: -367.850
Base-Backbone interact. energy: -1.775
local terms energy: -423.027169
where:
bonds (distance) C4'-P energy: -81.139
bonds (distance) P-C4' energy: -88.969
flat angles C4'-P-C4' energy: -89.396
flat angles P-C4'-P energy: -63.375
tors. eta vs tors. theta energy: -100.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1133.973660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.973660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.973660 (E_RNA)
where:
Base-Base interactions energy: -748.152
where: short stacking energy: -320.458
Base-Backbone interact. energy: -0.272
local terms energy: -385.550029
where:
bonds (distance) C4'-P energy: -79.565
bonds (distance) P-C4' energy: -84.138
flat angles C4'-P-C4' energy: -89.708
flat angles P-C4'-P energy: -58.414
tors. eta vs tors. theta energy: -73.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -919.858787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.858787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.858787 (E_RNA)
where:
Base-Base interactions energy: -563.272
where: short stacking energy: -255.584
Base-Backbone interact. energy: -1.606
local terms energy: -354.980485
where:
bonds (distance) C4'-P energy: -74.774
bonds (distance) P-C4' energy: -88.659
flat angles C4'-P-C4' energy: -82.782
flat angles P-C4'-P energy: -53.714
tors. eta vs tors. theta energy: -55.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -801.739939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.739939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.739939 (E_RNA)
where:
Base-Base interactions energy: -504.032
where: short stacking energy: -226.183
Base-Backbone interact. energy: -0.370
local terms energy: -297.337814
where:
bonds (distance) C4'-P energy: -68.094
bonds (distance) P-C4' energy: -79.819
flat angles C4'-P-C4' energy: -75.587
flat angles P-C4'-P energy: -43.558
tors. eta vs tors. theta energy: -30.280
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: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -718.819973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.819973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.819973 (E_RNA)
where:
Base-Base interactions energy: -447.490
where: short stacking energy: -215.861
Base-Backbone interact. energy: 1.204
local terms energy: -272.533897
where:
bonds (distance) C4'-P energy: -74.708
bonds (distance) P-C4' energy: -70.662
flat angles C4'-P-C4' energy: -56.146
flat angles P-C4'-P energy: -47.691
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -665.386371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.386371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.386371 (E_RNA)
where:
Base-Base interactions energy: -371.039
where: short stacking energy: -179.517
Base-Backbone interact. energy: 0.777
local terms energy: -295.124185
where:
bonds (distance) C4'-P energy: -69.991
bonds (distance) P-C4' energy: -96.470
flat angles C4'-P-C4' energy: -64.707
flat angles P-C4'-P energy: -48.588
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: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1560.982948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.982948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.982948 (E_RNA)
where:
Base-Base interactions energy: -1078.036
where: short stacking energy: -474.672
Base-Backbone interact. energy: -2.183
local terms energy: -480.764111
where:
bonds (distance) C4'-P energy: -84.720
bonds (distance) P-C4' energy: -88.193
flat angles C4'-P-C4' energy: -95.843
flat angles P-C4'-P energy: -71.271
tors. eta vs tors. theta energy: -140.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1487.741859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.741859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.741859 (E_RNA)
where:
Base-Base interactions energy: -1015.190
where: short stacking energy: -450.810
Base-Backbone interact. energy: -0.599
local terms energy: -471.953064
where:
bonds (distance) C4'-P energy: -94.588
bonds (distance) P-C4' energy: -89.156
flat angles C4'-P-C4' energy: -104.805
flat angles P-C4'-P energy: -57.905
tors. eta vs tors. theta energy: -125.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1430.287224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.287224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.287224 (E_RNA)
where:
Base-Base interactions energy: -969.753
where: short stacking energy: -432.232
Base-Backbone interact. energy: -0.914
local terms energy: -459.619762
where:
bonds (distance) C4'-P energy: -92.800
bonds (distance) P-C4' energy: -91.389
flat angles C4'-P-C4' energy: -100.082
flat angles P-C4'-P energy: -52.618
tors. eta vs tors. theta energy: -122.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1407.639279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.639279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.639279 (E_RNA)
where:
Base-Base interactions energy: -956.168
where: short stacking energy: -424.739
Base-Backbone interact. energy: -2.495
local terms energy: -448.976814
where:
bonds (distance) C4'-P energy: -88.753
bonds (distance) P-C4' energy: -89.851
flat angles C4'-P-C4' energy: -99.553
flat angles P-C4'-P energy: -53.977
tors. eta vs tors. theta energy: -116.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1254.980348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.980348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.980348 (E_RNA)
where:
Base-Base interactions energy: -880.490
where: short stacking energy: -375.029
Base-Backbone interact. energy: -3.009
local terms energy: -371.482254
where:
bonds (distance) C4'-P energy: -74.107
bonds (distance) P-C4' energy: -67.476
flat angles C4'-P-C4' energy: -85.889
flat angles P-C4'-P energy: -39.633
tors. eta vs tors. theta energy: -104.377
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: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1110.880959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.880959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.880959 (E_RNA)
where:
Base-Base interactions energy: -710.228
where: short stacking energy: -309.947
Base-Backbone interact. energy: 0.155
local terms energy: -400.808713
where:
bonds (distance) C4'-P energy: -88.052
bonds (distance) P-C4' energy: -88.231
flat angles C4'-P-C4' energy: -88.716
flat angles P-C4'-P energy: -55.162
tors. eta vs tors. theta energy: -80.647
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: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -928.136725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.136725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.136725 (E_RNA)
where:
Base-Base interactions energy: -621.761
where: short stacking energy: -289.663
Base-Backbone interact. energy: -0.442
local terms energy: -305.933579
where:
bonds (distance) C4'-P energy: -56.065
bonds (distance) P-C4' energy: -68.080
flat angles C4'-P-C4' energy: -82.202
flat angles P-C4'-P energy: -30.778
tors. eta vs tors. theta energy: -68.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -864.731185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.731185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.731185 (E_RNA)
where:
Base-Base interactions energy: -550.244
where: short stacking energy: -269.688
Base-Backbone interact. energy: -1.636
local terms energy: -312.850775
where:
bonds (distance) C4'-P energy: -63.411
bonds (distance) P-C4' energy: -72.477
flat angles C4'-P-C4' energy: -82.267
flat angles P-C4'-P energy: -46.064
tors. eta vs tors. theta energy: -48.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -740.258322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.258322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.258322 (E_RNA)
where:
Base-Base interactions energy: -426.630
where: short stacking energy: -205.270
Base-Backbone interact. energy: 0.175
local terms energy: -313.803687
where:
bonds (distance) C4'-P energy: -80.424
bonds (distance) P-C4' energy: -72.847
flat angles C4'-P-C4' energy: -78.783
flat angles P-C4'-P energy: -43.298
tors. eta vs tors. theta energy: -38.452
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: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -666.379577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.379577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.379577 (E_RNA)
where:
Base-Base interactions energy: -375.780
where: short stacking energy: -182.541
Base-Backbone interact. energy: -2.079
local terms energy: -288.519866
where:
bonds (distance) C4'-P energy: -69.810
bonds (distance) P-C4' energy: -80.319
flat angles C4'-P-C4' energy: -69.279
flat angles P-C4'-P energy: -45.413
tors. eta vs tors. theta energy: -23.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1564.712819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.712819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.712819 (E_RNA)
where:
Base-Base interactions energy: -1081.253
where: short stacking energy: -472.928
Base-Backbone interact. energy: 0.419
local terms energy: -483.878534
where:
bonds (distance) C4'-P energy: -93.841
bonds (distance) P-C4' energy: -91.393
flat angles C4'-P-C4' energy: -98.840
flat angles P-C4'-P energy: -61.455
tors. eta vs tors. theta energy: -138.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1460.505213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.505213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.505213 (E_RNA)
where:
Base-Base interactions energy: -1019.923
where: short stacking energy: -444.087
Base-Backbone interact. energy: -3.009
local terms energy: -437.573573
where:
bonds (distance) C4'-P energy: -89.820
bonds (distance) P-C4' energy: -76.190
flat angles C4'-P-C4' energy: -98.355
flat angles P-C4'-P energy: -55.195
tors. eta vs tors. theta energy: -118.013
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: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1434.052392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.052392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.052392 (E_RNA)
where:
Base-Base interactions energy: -979.175
where: short stacking energy: -437.392
Base-Backbone interact. energy: 2.534
local terms energy: -457.411461
where:
bonds (distance) C4'-P energy: -81.396
bonds (distance) P-C4' energy: -88.019
flat angles C4'-P-C4' energy: -94.480
flat angles P-C4'-P energy: -66.327
tors. eta vs tors. theta energy: -127.190
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: 118
Temperature: 1.050000
Total energy: -1383.113120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.113120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.113120 (E_RNA)
where:
Base-Base interactions energy: -941.458
where: short stacking energy: -414.731
Base-Backbone interact. energy: -1.357
local terms energy: -440.298032
where:
bonds (distance) C4'-P energy: -89.904
bonds (distance) P-C4' energy: -75.888
flat angles C4'-P-C4' energy: -91.446
flat angles P-C4'-P energy: -64.187
tors. eta vs tors. theta energy: -118.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1246.524919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.524919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.524919 (E_RNA)
where:
Base-Base interactions energy: -845.665
where: short stacking energy: -365.527
Base-Backbone interact. energy: -3.865
local terms energy: -396.995228
where:
bonds (distance) C4'-P energy: -82.480
bonds (distance) P-C4' energy: -82.254
flat angles C4'-P-C4' energy: -92.085
flat angles P-C4'-P energy: -44.943
tors. eta vs tors. theta energy: -95.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1105.807236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.807236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.807236 (E_RNA)
where:
Base-Base interactions energy: -709.504
where: short stacking energy: -309.852
Base-Backbone interact. energy: -0.336
local terms energy: -395.967342
where:
bonds (distance) C4'-P energy: -79.878
bonds (distance) P-C4' energy: -95.637
flat angles C4'-P-C4' energy: -80.819
flat angles P-C4'-P energy: -52.563
tors. eta vs tors. theta energy: -87.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -883.178061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.178061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.178061 (E_RNA)
where:
Base-Base interactions energy: -557.395
where: short stacking energy: -253.314
Base-Backbone interact. energy: -3.289
local terms energy: -322.494031
where:
bonds (distance) C4'-P energy: -78.352
bonds (distance) P-C4' energy: -89.700
flat angles C4'-P-C4' energy: -81.764
flat angles P-C4'-P energy: -34.669
tors. eta vs tors. theta energy: -38.009
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: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -845.903907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.903907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.903907 (E_RNA)
where:
Base-Base interactions energy: -529.364
where: short stacking energy: -247.258
Base-Backbone interact. energy: -2.333
local terms energy: -314.206684
where:
bonds (distance) C4'-P energy: -76.707
bonds (distance) P-C4' energy: -85.944
flat angles C4'-P-C4' energy: -68.665
flat angles P-C4'-P energy: -43.275
tors. eta vs tors. theta energy: -39.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -719.821044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.821044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.821044 (E_RNA)
where:
Base-Base interactions energy: -416.521
where: short stacking energy: -178.095
Base-Backbone interact. energy: 0.541
local terms energy: -303.841874
where:
bonds (distance) C4'-P energy: -80.211
bonds (distance) P-C4' energy: -81.001
flat angles C4'-P-C4' energy: -78.301
flat angles P-C4'-P energy: -40.894
tors. eta vs tors. theta energy: -23.435
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: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -658.329147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.329147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.329147 (E_RNA)
where:
Base-Base interactions energy: -382.862
where: short stacking energy: -184.904
Base-Backbone interact. energy: 0.729
local terms energy: -276.196687
where:
bonds (distance) C4'-P energy: -72.739
bonds (distance) P-C4' energy: -69.792
flat angles C4'-P-C4' energy: -78.702
flat angles P-C4'-P energy: -39.510
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1581.591263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.591263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.591263 (E_RNA)
where:
Base-Base interactions energy: -1084.775
where: short stacking energy: -474.435
Base-Backbone interact. energy: -2.723
local terms energy: -494.092864
where:
bonds (distance) C4'-P energy: -82.934
bonds (distance) P-C4' energy: -94.627
flat angles C4'-P-C4' energy: -105.002
flat angles P-C4'-P energy: -73.908
tors. eta vs tors. theta energy: -137.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1445.174141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.174141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.174141 (E_RNA)
where:
Base-Base interactions energy: -988.905
where: short stacking energy: -442.286
Base-Backbone interact. energy: -2.616
local terms energy: -453.652884
where:
bonds (distance) C4'-P energy: -73.652
bonds (distance) P-C4' energy: -88.249
flat angles C4'-P-C4' energy: -101.780
flat angles P-C4'-P energy: -66.336
tors. eta vs tors. theta energy: -123.636
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: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1448.147027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.147027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.147027 (E_RNA)
where:
Base-Base interactions energy: -994.559
where: short stacking energy: -460.901
Base-Backbone interact. energy: -0.253
local terms energy: -453.334748
where:
bonds (distance) C4'-P energy: -80.529
bonds (distance) P-C4' energy: -80.100
flat angles C4'-P-C4' energy: -104.170
flat angles P-C4'-P energy: -61.241
tors. eta vs tors. theta energy: -127.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1356.689739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.689739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.689739 (E_RNA)
where:
Base-Base interactions energy: -911.836
where: short stacking energy: -401.227
Base-Backbone interact. energy: -1.838
local terms energy: -443.016380
where:
bonds (distance) C4'-P energy: -84.959
bonds (distance) P-C4' energy: -87.263
flat angles C4'-P-C4' energy: -98.058
flat angles P-C4'-P energy: -58.808
tors. eta vs tors. theta energy: -113.927
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: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1264.618395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.618395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.618395 (E_RNA)
where:
Base-Base interactions energy: -854.442
where: short stacking energy: -372.462
Base-Backbone interact. energy: -0.389
local terms energy: -409.787369
where:
bonds (distance) C4'-P energy: -83.389
bonds (distance) P-C4' energy: -89.651
flat angles C4'-P-C4' energy: -85.574
flat angles P-C4'-P energy: -58.557
tors. eta vs tors. theta energy: -92.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1095.811521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.811521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.811521 (E_RNA)
where:
Base-Base interactions energy: -707.383
where: short stacking energy: -327.131
Base-Backbone interact. energy: -2.246
local terms energy: -386.182246
where:
bonds (distance) C4'-P energy: -76.325
bonds (distance) P-C4' energy: -89.435
flat angles C4'-P-C4' energy: -93.885
flat angles P-C4'-P energy: -52.075
tors. eta vs tors. theta energy: -74.462
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: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -871.377569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.377569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.377569 (E_RNA)
where:
Base-Base interactions energy: -550.713
where: short stacking energy: -272.490
Base-Backbone interact. energy: 0.536
local terms energy: -321.201511
where:
bonds (distance) C4'-P energy: -81.573
bonds (distance) P-C4' energy: -82.051
flat angles C4'-P-C4' energy: -62.452
flat angles P-C4'-P energy: -44.606
tors. eta vs tors. theta energy: -50.519
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: 119
Temperature: 1.250000
Total energy: -868.564711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.564711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.564711 (E_RNA)
where:
Base-Base interactions energy: -528.940
where: short stacking energy: -232.164
Base-Backbone interact. energy: -1.547
local terms energy: -338.076909
where:
bonds (distance) C4'-P energy: -81.102
bonds (distance) P-C4' energy: -83.539
flat angles C4'-P-C4' energy: -77.599
flat angles P-C4'-P energy: -47.804
tors. eta vs tors. theta energy: -48.034
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: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -782.037154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.037154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.037154 (E_RNA)
where:
Base-Base interactions energy: -462.149
where: short stacking energy: -234.952
Base-Backbone interact. energy: -0.840
local terms energy: -319.048082
where:
bonds (distance) C4'-P energy: -76.689
bonds (distance) P-C4' energy: -78.450
flat angles C4'-P-C4' energy: -78.979
flat angles P-C4'-P energy: -43.525
tors. eta vs tors. theta energy: -41.405
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: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -644.849590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.849590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.849590 (E_RNA)
where:
Base-Base interactions energy: -392.031
where: short stacking energy: -200.320
Base-Backbone interact. energy: 0.769
local terms energy: -253.587515
where:
bonds (distance) C4'-P energy: -60.229
bonds (distance) P-C4' energy: -74.485
flat angles C4'-P-C4' energy: -59.339
flat angles P-C4'-P energy: -29.309
tors. eta vs tors. theta energy: -30.225
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: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1577.998856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.998856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.998856 (E_RNA)
where:
Base-Base interactions energy: -1104.831
where: short stacking energy: -480.189
Base-Backbone interact. energy: -2.843
local terms energy: -470.324678
where:
bonds (distance) C4'-P energy: -85.676
bonds (distance) P-C4' energy: -90.547
flat angles C4'-P-C4' energy: -108.543
flat angles P-C4'-P energy: -51.017
tors. eta vs tors. theta energy: -134.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1455.879801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.879801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.879801 (E_RNA)
where:
Base-Base interactions energy: -992.208
where: short stacking energy: -441.294
Base-Backbone interact. energy: -2.202
local terms energy: -461.469111
where:
bonds (distance) C4'-P energy: -80.044
bonds (distance) P-C4' energy: -85.791
flat angles C4'-P-C4' energy: -110.322
flat angles P-C4'-P energy: -65.247
tors. eta vs tors. theta energy: -120.065
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: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1444.643252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.643252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.643252 (E_RNA)
where:
Base-Base interactions energy: -991.293
where: short stacking energy: -442.254
Base-Backbone interact. energy: -0.728
local terms energy: -452.622815
where:
bonds (distance) C4'-P energy: -90.030
bonds (distance) P-C4' energy: -76.746
flat angles C4'-P-C4' energy: -91.653
flat angles P-C4'-P energy: -73.867
tors. eta vs tors. theta energy: -120.327
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: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1357.311958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.311958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.311958 (E_RNA)
where:
Base-Base interactions energy: -931.452
where: short stacking energy: -418.256
Base-Backbone interact. energy: -2.884
local terms energy: -422.976014
where:
bonds (distance) C4'-P energy: -76.083
bonds (distance) P-C4' energy: -83.720
flat angles C4'-P-C4' energy: -89.390
flat angles P-C4'-P energy: -67.477
tors. eta vs tors. theta energy: -106.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1265.165952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.165952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.165952 (E_RNA)
where:
Base-Base interactions energy: -860.570
where: short stacking energy: -382.851
Base-Backbone interact. energy: 0.076
local terms energy: -404.671939
where:
bonds (distance) C4'-P energy: -85.310
bonds (distance) P-C4' energy: -76.277
flat angles C4'-P-C4' energy: -85.191
flat angles P-C4'-P energy: -56.719
tors. eta vs tors. theta energy: -101.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1142.672416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.672416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.672416 (E_RNA)
where:
Base-Base interactions energy: -768.553
where: short stacking energy: -337.378
Base-Backbone interact. energy: 2.977
local terms energy: -377.096417
where:
bonds (distance) C4'-P energy: -77.460
bonds (distance) P-C4' energy: -92.582
flat angles C4'-P-C4' energy: -80.716
flat angles P-C4'-P energy: -51.596
tors. eta vs tors. theta energy: -74.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -964.468256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.468256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.468256 (E_RNA)
where:
Base-Base interactions energy: -604.102
where: short stacking energy: -271.583
Base-Backbone interact. energy: 0.917
local terms energy: -361.283422
where:
bonds (distance) C4'-P energy: -86.385
bonds (distance) P-C4' energy: -80.307
flat angles C4'-P-C4' energy: -85.969
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -53.604
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: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -819.382828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.382828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.382828 (E_RNA)
where:
Base-Base interactions energy: -510.513
where: short stacking energy: -235.720
Base-Backbone interact. energy: -0.291
local terms energy: -308.578816
where:
bonds (distance) C4'-P energy: -71.991
bonds (distance) P-C4' energy: -83.176
flat angles C4'-P-C4' energy: -68.363
flat angles P-C4'-P energy: -44.365
tors. eta vs tors. theta energy: -40.684
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: 120
Temperature: 1.300000
Total energy: -754.909135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.909135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.909135 (E_RNA)
where:
Base-Base interactions energy: -466.888
where: short stacking energy: -225.571
Base-Backbone interact. energy: 2.835
local terms energy: -290.856223
where:
bonds (distance) C4'-P energy: -67.263
bonds (distance) P-C4' energy: -74.747
flat angles C4'-P-C4' energy: -73.855
flat angles P-C4'-P energy: -49.237
tors. eta vs tors. theta energy: -25.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -666.951361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.951361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.951361 (E_RNA)
where:
Base-Base interactions energy: -399.739
where: short stacking energy: -212.962
Base-Backbone interact. energy: 3.800
local terms energy: -271.011875
where:
bonds (distance) C4'-P energy: -60.661
bonds (distance) P-C4' energy: -75.752
flat angles C4'-P-C4' energy: -63.180
flat angles P-C4'-P energy: -47.327
tors. eta vs tors. theta energy: -24.092
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: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1556.131813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.131813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.131813 (E_RNA)
where:
Base-Base interactions energy: -1093.828
where: short stacking energy: -453.064
Base-Backbone interact. energy: -2.159
local terms energy: -460.145239
where:
bonds (distance) C4'-P energy: -82.116
bonds (distance) P-C4' energy: -88.550
flat angles C4'-P-C4' energy: -97.223
flat angles P-C4'-P energy: -61.056
tors. eta vs tors. theta energy: -131.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1464.240467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.240467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.240467 (E_RNA)
where:
Base-Base interactions energy: -999.327
where: short stacking energy: -440.785
Base-Backbone interact. energy: -3.265
local terms energy: -461.648697
where:
bonds (distance) C4'-P energy: -84.367
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -95.320
flat angles P-C4'-P energy: -66.054
tors. eta vs tors. theta energy: -124.401
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: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1437.939725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.939725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.939725 (E_RNA)
where:
Base-Base interactions energy: -980.506
where: short stacking energy: -446.026
Base-Backbone interact. energy: -0.987
local terms energy: -456.446556
where:
bonds (distance) C4'-P energy: -88.261
bonds (distance) P-C4' energy: -78.652
flat angles C4'-P-C4' energy: -98.405
flat angles P-C4'-P energy: -61.938
tors. eta vs tors. theta energy: -129.191
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: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1292.634771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.634771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.634771 (E_RNA)
where:
Base-Base interactions energy: -866.256
where: short stacking energy: -389.690
Base-Backbone interact. energy: -2.309
local terms energy: -424.069372
where:
bonds (distance) C4'-P energy: -89.112
bonds (distance) P-C4' energy: -81.608
flat angles C4'-P-C4' energy: -90.854
flat angles P-C4'-P energy: -61.296
tors. eta vs tors. theta energy: -101.199
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: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1267.733662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.733662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.733662 (E_RNA)
where:
Base-Base interactions energy: -850.763
where: short stacking energy: -358.348
Base-Backbone interact. energy: -2.756
local terms energy: -414.214985
where:
bonds (distance) C4'-P energy: -79.925
bonds (distance) P-C4' energy: -81.915
flat angles C4'-P-C4' energy: -99.979
flat angles P-C4'-P energy: -58.346
tors. eta vs tors. theta energy: -94.050
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: 1
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1118.470647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.470647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.470647 (E_RNA)
where:
Base-Base interactions energy: -707.131
where: short stacking energy: -320.598
Base-Backbone interact. energy: -1.052
local terms energy: -410.287192
where:
bonds (distance) C4'-P energy: -85.265
bonds (distance) P-C4' energy: -79.784
flat angles C4'-P-C4' energy: -98.216
flat angles P-C4'-P energy: -56.577
tors. eta vs tors. theta energy: -90.445
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: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -954.327279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.327279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.327279 (E_RNA)
where:
Base-Base interactions energy: -619.955
where: short stacking energy: -265.479
Base-Backbone interact. energy: 0.450
local terms energy: -334.821992
where:
bonds (distance) C4'-P energy: -80.794
bonds (distance) P-C4' energy: -73.741
flat angles C4'-P-C4' energy: -82.673
flat angles P-C4'-P energy: -50.734
tors. eta vs tors. theta energy: -46.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -858.617598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.617598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.617598 (E_RNA)
where:
Base-Base interactions energy: -565.635
where: short stacking energy: -253.685
Base-Backbone interact. energy: -0.940
local terms energy: -292.042669
where:
bonds (distance) C4'-P energy: -79.728
bonds (distance) P-C4' energy: -73.497
flat angles C4'-P-C4' energy: -68.936
flat angles P-C4'-P energy: -26.821
tors. eta vs tors. theta energy: -43.061
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: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -698.912848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.912848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.912848 (E_RNA)
where:
Base-Base interactions energy: -402.136
where: short stacking energy: -191.402
Base-Backbone interact. energy: 1.102
local terms energy: -297.878668
where:
bonds (distance) C4'-P energy: -75.159
bonds (distance) P-C4' energy: -77.259
flat angles C4'-P-C4' energy: -82.220
flat angles P-C4'-P energy: -56.088
tors. eta vs tors. theta energy: -7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -623.522597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.522597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.522597 (E_RNA)
where:
Base-Base interactions energy: -349.412
where: short stacking energy: -187.792
Base-Backbone interact. energy: -0.754
local terms energy: -273.356130
where:
bonds (distance) C4'-P energy: -70.571
bonds (distance) P-C4' energy: -72.301
flat angles C4'-P-C4' energy: -63.472
flat angles P-C4'-P energy: -51.413
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1571.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.399671 (E_RNA)
where:
Base-Base interactions energy: -1079.863
where: short stacking energy: -476.060
Base-Backbone interact. energy: -2.433
local terms energy: -489.103874
where:
bonds (distance) C4'-P energy: -93.525
bonds (distance) P-C4' energy: -92.474
flat angles C4'-P-C4' energy: -103.490
flat angles P-C4'-P energy: -69.258
tors. eta vs tors. theta energy: -130.356
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: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1476.083502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.083502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.083502 (E_RNA)
where:
Base-Base interactions energy: -998.642
where: short stacking energy: -451.032
Base-Backbone interact. energy: -0.797
local terms energy: -476.644791
where:
bonds (distance) C4'-P energy: -83.880
bonds (distance) P-C4' energy: -93.734
flat angles C4'-P-C4' energy: -101.709
flat angles P-C4'-P energy: -67.035
tors. eta vs tors. theta energy: -130.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1465.416220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.416220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.416220 (E_RNA)
where:
Base-Base interactions energy: -994.556
where: short stacking energy: -450.210
Base-Backbone interact. energy: -2.893
local terms energy: -467.967336
where:
bonds (distance) C4'-P energy: -86.266
bonds (distance) P-C4' energy: -97.830
flat angles C4'-P-C4' energy: -103.713
flat angles P-C4'-P energy: -62.812
tors. eta vs tors. theta energy: -117.346
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: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1354.055864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.055864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.055864 (E_RNA)
where:
Base-Base interactions energy: -927.738
where: short stacking energy: -393.478
Base-Backbone interact. energy: -3.469
local terms energy: -422.848635
where:
bonds (distance) C4'-P energy: -73.952
bonds (distance) P-C4' energy: -86.233
flat angles C4'-P-C4' energy: -91.490
flat angles P-C4'-P energy: -67.596
tors. eta vs tors. theta energy: -103.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1277.823092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.823092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.823092 (E_RNA)
where:
Base-Base interactions energy: -881.913
where: short stacking energy: -369.524
Base-Backbone interact. energy: -0.001
local terms energy: -395.909518
where:
bonds (distance) C4'-P energy: -84.252
bonds (distance) P-C4' energy: -82.539
flat angles C4'-P-C4' energy: -80.901
flat angles P-C4'-P energy: -58.954
tors. eta vs tors. theta energy: -89.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1121.254608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.254608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.254608 (E_RNA)
where:
Base-Base interactions energy: -721.219
where: short stacking energy: -358.093
Base-Backbone interact. energy: 1.365
local terms energy: -401.400524
where:
bonds (distance) C4'-P energy: -75.437
bonds (distance) P-C4' energy: -71.521
flat angles C4'-P-C4' energy: -101.444
flat angles P-C4'-P energy: -64.616
tors. eta vs tors. theta energy: -88.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -947.841004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.841004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.841004 (E_RNA)
where:
Base-Base interactions energy: -591.584
where: short stacking energy: -290.738
Base-Backbone interact. energy: 2.841
local terms energy: -359.098196
where:
bonds (distance) C4'-P energy: -76.547
bonds (distance) P-C4' energy: -82.185
flat angles C4'-P-C4' energy: -82.301
flat angles P-C4'-P energy: -55.839
tors. eta vs tors. theta energy: -62.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -855.288401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.288401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.288401 (E_RNA)
where:
Base-Base interactions energy: -534.564
where: short stacking energy: -266.123
Base-Backbone interact. energy: 0.482
local terms energy: -321.207013
where:
bonds (distance) C4'-P energy: -63.227
bonds (distance) P-C4' energy: -86.197
flat angles C4'-P-C4' energy: -79.762
flat angles P-C4'-P energy: -45.975
tors. eta vs tors. theta energy: -46.046
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: 9, replica: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -643.290759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.290759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.290759 (E_RNA)
where:
Base-Base interactions energy: -375.433
where: short stacking energy: -185.195
Base-Backbone interact. energy: 0.820
local terms energy: -268.677039
where:
bonds (distance) C4'-P energy: -69.979
bonds (distance) P-C4' energy: -74.392
flat angles C4'-P-C4' energy: -76.475
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -587.957508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.957508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.957508 (E_RNA)
where:
Base-Base interactions energy: -334.187
where: short stacking energy: -172.694
Base-Backbone interact. energy: -1.735
local terms energy: -252.035129
where:
bonds (distance) C4'-P energy: -69.749
bonds (distance) P-C4' energy: -62.982
flat angles C4'-P-C4' energy: -62.388
flat angles P-C4'-P energy: -53.420
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1570.598927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.598927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.598927 (E_RNA)
where:
Base-Base interactions energy: -1091.206
where: short stacking energy: -473.723
Base-Backbone interact. energy: -0.451
local terms energy: -478.942385
where:
bonds (distance) C4'-P energy: -89.914
bonds (distance) P-C4' energy: -103.292
flat angles C4'-P-C4' energy: -92.342
flat angles P-C4'-P energy: -61.267
tors. eta vs tors. theta energy: -132.128
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: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1475.917034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.917034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.917034 (E_RNA)
where:
Base-Base interactions energy: -1025.359
where: short stacking energy: -461.106
Base-Backbone interact. energy: 0.892
local terms energy: -451.449862
where:
bonds (distance) C4'-P energy: -93.450
bonds (distance) P-C4' energy: -86.936
flat angles C4'-P-C4' energy: -96.417
flat angles P-C4'-P energy: -52.324
tors. eta vs tors. theta energy: -122.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1449.467785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.467785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.467785 (E_RNA)
where:
Base-Base interactions energy: -999.433
where: short stacking energy: -450.379
Base-Backbone interact. energy: -2.106
local terms energy: -447.929081
where:
bonds (distance) C4'-P energy: -75.296
bonds (distance) P-C4' energy: -86.332
flat angles C4'-P-C4' energy: -100.831
flat angles P-C4'-P energy: -66.573
tors. eta vs tors. theta energy: -118.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1356.690147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.690147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.690147 (E_RNA)
where:
Base-Base interactions energy: -927.092
where: short stacking energy: -399.400
Base-Backbone interact. energy: -0.462
local terms energy: -429.136632
where:
bonds (distance) C4'-P energy: -74.098
bonds (distance) P-C4' energy: -85.722
flat angles C4'-P-C4' energy: -86.974
flat angles P-C4'-P energy: -63.510
tors. eta vs tors. theta energy: -118.832
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: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1284.610629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.610629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.610629 (E_RNA)
where:
Base-Base interactions energy: -898.729
where: short stacking energy: -399.461
Base-Backbone interact. energy: 2.698
local terms energy: -388.579556
where:
bonds (distance) C4'-P energy: -66.011
bonds (distance) P-C4' energy: -73.810
flat angles C4'-P-C4' energy: -93.914
flat angles P-C4'-P energy: -58.559
tors. eta vs tors. theta energy: -96.285
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: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1113.533944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.533944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.533944 (E_RNA)
where:
Base-Base interactions energy: -750.806
where: short stacking energy: -343.410
Base-Backbone interact. energy: -1.500
local terms energy: -361.227803
where:
bonds (distance) C4'-P energy: -67.294
bonds (distance) P-C4' energy: -67.806
flat angles C4'-P-C4' energy: -94.308
flat angles P-C4'-P energy: -50.815
tors. eta vs tors. theta energy: -81.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -965.549227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.549227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.549227 (E_RNA)
where:
Base-Base interactions energy: -619.830
where: short stacking energy: -301.913
Base-Backbone interact. energy: -1.535
local terms energy: -344.184125
where:
bonds (distance) C4'-P energy: -60.875
bonds (distance) P-C4' energy: -74.454
flat angles C4'-P-C4' energy: -88.525
flat angles P-C4'-P energy: -60.588
tors. eta vs tors. theta energy: -59.742
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: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -903.621492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.621492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.621492 (E_RNA)
where:
Base-Base interactions energy: -574.016
where: short stacking energy: -264.739
Base-Backbone interact. energy: 2.458
local terms energy: -332.063776
where:
bonds (distance) C4'-P energy: -75.567
bonds (distance) P-C4' energy: -75.028
flat angles C4'-P-C4' energy: -80.274
flat angles P-C4'-P energy: -49.963
tors. eta vs tors. theta energy: -51.231
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: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -711.604108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.604108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.604108 (E_RNA)
where:
Base-Base interactions energy: -410.619
where: short stacking energy: -199.933
Base-Backbone interact. energy: -1.478
local terms energy: -299.507500
where:
bonds (distance) C4'-P energy: -63.132
bonds (distance) P-C4' energy: -85.970
flat angles C4'-P-C4' energy: -75.103
flat angles P-C4'-P energy: -51.041
tors. eta vs tors. theta energy: -24.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -590.385519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.385519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.385519 (E_RNA)
where:
Base-Base interactions energy: -341.325
where: short stacking energy: -162.091
Base-Backbone interact. energy: -1.960
local terms energy: -247.100238
where:
bonds (distance) C4'-P energy: -80.949
bonds (distance) P-C4' energy: -66.460
flat angles C4'-P-C4' energy: -60.822
flat angles P-C4'-P energy: -38.673
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: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1557.594804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.594804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.594804 (E_RNA)
where:
Base-Base interactions energy: -1075.760
where: short stacking energy: -472.330
Base-Backbone interact. energy: -1.005
local terms energy: -480.829876
where:
bonds (distance) C4'-P energy: -92.801
bonds (distance) P-C4' energy: -82.401
flat angles C4'-P-C4' energy: -103.211
flat angles P-C4'-P energy: -72.010
tors. eta vs tors. theta energy: -130.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1470.321316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.321316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.321316 (E_RNA)
where:
Base-Base interactions energy: -990.617
where: short stacking energy: -434.021
Base-Backbone interact. energy: -2.516
local terms energy: -477.188415
where:
bonds (distance) C4'-P energy: -92.432
bonds (distance) P-C4' energy: -94.103
flat angles C4'-P-C4' energy: -102.084
flat angles P-C4'-P energy: -70.888
tors. eta vs tors. theta energy: -117.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1418.049656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.049656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.049656 (E_RNA)
where:
Base-Base interactions energy: -970.831
where: short stacking energy: -413.823
Base-Backbone interact. energy: -1.261
local terms energy: -445.957546
where:
bonds (distance) C4'-P energy: -86.446
bonds (distance) P-C4' energy: -87.705
flat angles C4'-P-C4' energy: -97.698
flat angles P-C4'-P energy: -60.813
tors. eta vs tors. theta energy: -113.296
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: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1355.946760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.946760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.946760 (E_RNA)
where:
Base-Base interactions energy: -920.028
where: short stacking energy: -421.413
Base-Backbone interact. energy: -3.145
local terms energy: -432.773471
where:
bonds (distance) C4'-P energy: -84.284
bonds (distance) P-C4' energy: -82.947
flat angles C4'-P-C4' energy: -88.309
flat angles P-C4'-P energy: -69.712
tors. eta vs tors. theta energy: -107.522
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: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1274.902799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.902799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.902799 (E_RNA)
where:
Base-Base interactions energy: -859.634
where: short stacking energy: -379.226
Base-Backbone interact. energy: 1.157
local terms energy: -416.425007
where:
bonds (distance) C4'-P energy: -83.635
bonds (distance) P-C4' energy: -84.357
flat angles C4'-P-C4' energy: -97.746
flat angles P-C4'-P energy: -61.915
tors. eta vs tors. theta energy: -88.772
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: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1143.350939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.350939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.350939 (E_RNA)
where:
Base-Base interactions energy: -754.698
where: short stacking energy: -341.178
Base-Backbone interact. energy: 1.185
local terms energy: -389.838440
where:
bonds (distance) C4'-P energy: -78.745
bonds (distance) P-C4' energy: -78.254
flat angles C4'-P-C4' energy: -84.423
flat angles P-C4'-P energy: -59.076
tors. eta vs tors. theta energy: -89.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -948.845676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.845676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.845676 (E_RNA)
where:
Base-Base interactions energy: -596.533
where: short stacking energy: -266.184
Base-Backbone interact. energy: 0.082
local terms energy: -352.395018
where:
bonds (distance) C4'-P energy: -78.971
bonds (distance) P-C4' energy: -91.698
flat angles C4'-P-C4' energy: -81.229
flat angles P-C4'-P energy: -46.360
tors. eta vs tors. theta energy: -54.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -858.223907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.223907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.223907 (E_RNA)
where:
Base-Base interactions energy: -522.084
where: short stacking energy: -266.483
Base-Backbone interact. energy: -0.717
local terms energy: -335.422555
where:
bonds (distance) C4'-P energy: -80.173
bonds (distance) P-C4' energy: -74.780
flat angles C4'-P-C4' energy: -92.051
flat angles P-C4'-P energy: -44.778
tors. eta vs tors. theta energy: -43.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -690.027619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.027619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.027619 (E_RNA)
where:
Base-Base interactions energy: -392.159
where: short stacking energy: -192.460
Base-Backbone interact. energy: 2.235
local terms energy: -300.103928
where:
bonds (distance) C4'-P energy: -71.255
bonds (distance) P-C4' energy: -94.069
flat angles C4'-P-C4' energy: -64.044
flat angles P-C4'-P energy: -38.116
tors. eta vs tors. theta energy: -32.620
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: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -590.793155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.793155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.793155 (E_RNA)
where:
Base-Base interactions energy: -340.993
where: short stacking energy: -173.577
Base-Backbone interact. energy: -2.514
local terms energy: -247.286647
where:
bonds (distance) C4'-P energy: -67.509
bonds (distance) P-C4' energy: -63.544
flat angles C4'-P-C4' energy: -69.452
flat angles P-C4'-P energy: -43.271
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: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1566.666639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.666639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.666639 (E_RNA)
where:
Base-Base interactions energy: -1081.446
where: short stacking energy: -470.914
Base-Backbone interact. energy: -1.817
local terms energy: -483.403271
where:
bonds (distance) C4'-P energy: -89.158
bonds (distance) P-C4' energy: -87.090
flat angles C4'-P-C4' energy: -103.472
flat angles P-C4'-P energy: -71.473
tors. eta vs tors. theta energy: -132.210
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: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1469.589288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.589288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.589288 (E_RNA)
where:
Base-Base interactions energy: -996.059
where: short stacking energy: -442.968
Base-Backbone interact. energy: -1.961
local terms energy: -471.568735
where:
bonds (distance) C4'-P energy: -86.691
bonds (distance) P-C4' energy: -88.359
flat angles C4'-P-C4' energy: -105.736
flat angles P-C4'-P energy: -59.642
tors. eta vs tors. theta energy: -131.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1411.768075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.768075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.768075 (E_RNA)
where:
Base-Base interactions energy: -970.072
where: short stacking energy: -436.925
Base-Backbone interact. energy: -1.671
local terms energy: -440.024312
where:
bonds (distance) C4'-P energy: -86.975
bonds (distance) P-C4' energy: -85.630
flat angles C4'-P-C4' energy: -93.067
flat angles P-C4'-P energy: -52.244
tors. eta vs tors. theta energy: -122.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1340.374184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.374184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.374184 (E_RNA)
where:
Base-Base interactions energy: -893.228
where: short stacking energy: -418.426
Base-Backbone interact. energy: -2.096
local terms energy: -445.050429
where:
bonds (distance) C4'-P energy: -86.413
bonds (distance) P-C4' energy: -89.160
flat angles C4'-P-C4' energy: -97.418
flat angles P-C4'-P energy: -58.608
tors. eta vs tors. theta energy: -113.451
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: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1299.210436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.210436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.210436 (E_RNA)
where:
Base-Base interactions energy: -887.465
where: short stacking energy: -380.110
Base-Backbone interact. energy: -2.578
local terms energy: -409.167482
where:
bonds (distance) C4'-P energy: -71.377
bonds (distance) P-C4' energy: -71.014
flat angles C4'-P-C4' energy: -95.777
flat angles P-C4'-P energy: -71.200
tors. eta vs tors. theta energy: -99.799
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: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1132.960973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.960973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.960973 (E_RNA)
where:
Base-Base interactions energy: -754.129
where: short stacking energy: -351.914
Base-Backbone interact. energy: 0.445
local terms energy: -379.277041
where:
bonds (distance) C4'-P energy: -77.070
bonds (distance) P-C4' energy: -79.626
flat angles C4'-P-C4' energy: -89.477
flat angles P-C4'-P energy: -48.627
tors. eta vs tors. theta energy: -84.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -961.289919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.289919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.289919 (E_RNA)
where:
Base-Base interactions energy: -631.014
where: short stacking energy: -274.268
Base-Backbone interact. energy: -2.398
local terms energy: -327.877197
where:
bonds (distance) C4'-P energy: -70.543
bonds (distance) P-C4' energy: -69.296
flat angles C4'-P-C4' energy: -82.928
flat angles P-C4'-P energy: -50.115
tors. eta vs tors. theta energy: -54.995
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: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -777.173596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.173596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.173596 (E_RNA)
where:
Base-Base interactions energy: -460.309
where: short stacking energy: -217.640
Base-Backbone interact. energy: -1.071
local terms energy: -315.793937
where:
bonds (distance) C4'-P energy: -85.052
bonds (distance) P-C4' energy: -78.992
flat angles C4'-P-C4' energy: -74.449
flat angles P-C4'-P energy: -48.279
tors. eta vs tors. theta energy: -29.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -649.436760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.436760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.436760 (E_RNA)
where:
Base-Base interactions energy: -389.680
where: short stacking energy: -207.923
Base-Backbone interact. energy: 0.176
local terms energy: -259.933434
where:
bonds (distance) C4'-P energy: -61.070
bonds (distance) P-C4' energy: -80.972
flat angles C4'-P-C4' energy: -60.746
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -629.828502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.828502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.828502 (E_RNA)
where:
Base-Base interactions energy: -357.405
where: short stacking energy: -200.564
Base-Backbone interact. energy: 4.165
local terms energy: -276.588377
where:
bonds (distance) C4'-P energy: -72.964
bonds (distance) P-C4' energy: -71.838
flat angles C4'-P-C4' energy: -56.502
flat angles P-C4'-P energy: -49.959
tors. eta vs tors. theta energy: -25.325
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: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1577.866562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.866562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.866562 (E_RNA)
where:
Base-Base interactions energy: -1079.295
where: short stacking energy: -476.941
Base-Backbone interact. energy: -1.944
local terms energy: -496.627441
where:
bonds (distance) C4'-P energy: -94.416
bonds (distance) P-C4' energy: -101.233
flat angles C4'-P-C4' energy: -105.329
flat angles P-C4'-P energy: -67.817
tors. eta vs tors. theta energy: -127.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1479.436733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.436733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.436733 (E_RNA)
where:
Base-Base interactions energy: -1029.323
where: short stacking energy: -455.985
Base-Backbone interact. energy: 4.067
local terms energy: -454.181022
where:
bonds (distance) C4'-P energy: -81.685
bonds (distance) P-C4' energy: -89.003
flat angles C4'-P-C4' energy: -98.295
flat angles P-C4'-P energy: -54.974
tors. eta vs tors. theta energy: -130.224
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: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1407.793306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.793306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.793306 (E_RNA)
where:
Base-Base interactions energy: -962.752
where: short stacking energy: -412.757
Base-Backbone interact. energy: -0.694
local terms energy: -444.347264
where:
bonds (distance) C4'-P energy: -87.476
bonds (distance) P-C4' energy: -96.958
flat angles C4'-P-C4' energy: -98.004
flat angles P-C4'-P energy: -54.645
tors. eta vs tors. theta energy: -107.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1361.259454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.259454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.259454 (E_RNA)
where:
Base-Base interactions energy: -926.581
where: short stacking energy: -417.170
Base-Backbone interact. energy: -0.605
local terms energy: -434.073200
where:
bonds (distance) C4'-P energy: -79.609
bonds (distance) P-C4' energy: -86.654
flat angles C4'-P-C4' energy: -92.873
flat angles P-C4'-P energy: -69.604
tors. eta vs tors. theta energy: -105.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1296.269335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.269335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.269335 (E_RNA)
where:
Base-Base interactions energy: -887.600
where: short stacking energy: -382.130
Base-Backbone interact. energy: 0.889
local terms energy: -409.557827
where:
bonds (distance) C4'-P energy: -71.331
bonds (distance) P-C4' energy: -67.488
flat angles C4'-P-C4' energy: -94.031
flat angles P-C4'-P energy: -78.934
tors. eta vs tors. theta energy: -97.774
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: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1071.692117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.692117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.692117 (E_RNA)
where:
Base-Base interactions energy: -701.791
where: short stacking energy: -323.646
Base-Backbone interact. energy: 0.484
local terms energy: -370.385444
where:
bonds (distance) C4'-P energy: -73.079
bonds (distance) P-C4' energy: -75.304
flat angles C4'-P-C4' energy: -90.075
flat angles P-C4'-P energy: -56.036
tors. eta vs tors. theta energy: -75.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -990.254938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.254938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.254938 (E_RNA)
where:
Base-Base interactions energy: -619.600
where: short stacking energy: -293.765
Base-Backbone interact. energy: 0.129
local terms energy: -370.783643
where:
bonds (distance) C4'-P energy: -77.750
bonds (distance) P-C4' energy: -92.115
flat angles C4'-P-C4' energy: -88.831
flat angles P-C4'-P energy: -44.975
tors. eta vs tors. theta energy: -67.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -784.445668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.445668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.445668 (E_RNA)
where:
Base-Base interactions energy: -475.628
where: short stacking energy: -211.719
Base-Backbone interact. energy: -1.100
local terms energy: -307.717367
where:
bonds (distance) C4'-P energy: -63.750
bonds (distance) P-C4' energy: -86.207
flat angles C4'-P-C4' energy: -74.222
flat angles P-C4'-P energy: -50.750
tors. eta vs tors. theta energy: -32.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -622.991917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.991917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.991917 (E_RNA)
where:
Base-Base interactions energy: -332.599
where: short stacking energy: -174.589
Base-Backbone interact. energy: 2.310
local terms energy: -292.702421
where:
bonds (distance) C4'-P energy: -87.973
bonds (distance) P-C4' energy: -86.455
flat angles C4'-P-C4' energy: -55.861
flat angles P-C4'-P energy: -44.694
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: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -603.534365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.534365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.534365 (E_RNA)
where:
Base-Base interactions energy: -350.402
where: short stacking energy: -163.623
Base-Backbone interact. energy: -0.134
local terms energy: -252.998409
where:
bonds (distance) C4'-P energy: -63.853
bonds (distance) P-C4' energy: -60.072
flat angles C4'-P-C4' energy: -73.733
flat angles P-C4'-P energy: -50.310
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1561.829004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.829004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.829004 (E_RNA)
where:
Base-Base interactions energy: -1092.334
where: short stacking energy: -476.479
Base-Backbone interact. energy: -1.605
local terms energy: -467.890011
where:
bonds (distance) C4'-P energy: -78.108
bonds (distance) P-C4' energy: -96.074
flat angles C4'-P-C4' energy: -92.002
flat angles P-C4'-P energy: -67.699
tors. eta vs tors. theta energy: -134.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1491.412876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.412876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.412876 (E_RNA)
where:
Base-Base interactions energy: -1042.814
where: short stacking energy: -464.253
Base-Backbone interact. energy: -2.499
local terms energy: -446.100139
where:
bonds (distance) C4'-P energy: -88.324
bonds (distance) P-C4' energy: -77.334
flat angles C4'-P-C4' energy: -84.754
flat angles P-C4'-P energy: -67.955
tors. eta vs tors. theta energy: -127.733
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: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1401.897399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.897399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.897399 (E_RNA)
where:
Base-Base interactions energy: -962.791
where: short stacking energy: -425.850
Base-Backbone interact. energy: -2.885
local terms energy: -436.220753
where:
bonds (distance) C4'-P energy: -83.449
bonds (distance) P-C4' energy: -84.498
flat angles C4'-P-C4' energy: -99.705
flat angles P-C4'-P energy: -60.878
tors. eta vs tors. theta energy: -107.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1322.342807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.342807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.342807 (E_RNA)
where:
Base-Base interactions energy: -875.765
where: short stacking energy: -402.870
Base-Backbone interact. energy: -1.815
local terms energy: -444.762254
where:
bonds (distance) C4'-P energy: -87.442
bonds (distance) P-C4' energy: -83.974
flat angles C4'-P-C4' energy: -100.575
flat angles P-C4'-P energy: -65.708
tors. eta vs tors. theta energy: -107.062
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: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1292.732287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.732287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.732287 (E_RNA)
where:
Base-Base interactions energy: -904.125
where: short stacking energy: -390.976
Base-Backbone interact. energy: -1.477
local terms energy: -387.130450
where:
bonds (distance) C4'-P energy: -75.779
bonds (distance) P-C4' energy: -78.047
flat angles C4'-P-C4' energy: -82.965
flat angles P-C4'-P energy: -45.904
tors. eta vs tors. theta energy: -104.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1109.009160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.009160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.009160 (E_RNA)
where:
Base-Base interactions energy: -722.307
where: short stacking energy: -340.234
Base-Backbone interact. energy: 3.159
local terms energy: -389.861386
where:
bonds (distance) C4'-P energy: -83.744
bonds (distance) P-C4' energy: -94.992
flat angles C4'-P-C4' energy: -82.758
flat angles P-C4'-P energy: -59.501
tors. eta vs tors. theta energy: -68.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -986.626681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.626681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.626681 (E_RNA)
where:
Base-Base interactions energy: -618.242
where: short stacking energy: -294.854
Base-Backbone interact. energy: 0.376
local terms energy: -368.760809
where:
bonds (distance) C4'-P energy: -78.226
bonds (distance) P-C4' energy: -84.011
flat angles C4'-P-C4' energy: -95.898
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: -56.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -803.286790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.286790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.286790 (E_RNA)
where:
Base-Base interactions energy: -489.201
where: short stacking energy: -254.374
Base-Backbone interact. energy: -0.738
local terms energy: -313.347637
where:
bonds (distance) C4'-P energy: -74.133
bonds (distance) P-C4' energy: -80.141
flat angles C4'-P-C4' energy: -72.077
flat angles P-C4'-P energy: -45.298
tors. eta vs tors. theta energy: -41.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -621.947103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.947103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.947103 (E_RNA)
where:
Base-Base interactions energy: -330.844
where: short stacking energy: -187.364
Base-Backbone interact. energy: -2.496
local terms energy: -288.607489
where:
bonds (distance) C4'-P energy: -70.450
bonds (distance) P-C4' energy: -77.082
flat angles C4'-P-C4' energy: -70.674
flat angles P-C4'-P energy: -49.095
tors. eta vs tors. theta energy: -21.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -645.342717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.342717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.342717 (E_RNA)
where:
Base-Base interactions energy: -392.422
where: short stacking energy: -189.031
Base-Backbone interact. energy: 0.094
local terms energy: -253.015166
where:
bonds (distance) C4'-P energy: -66.605
bonds (distance) P-C4' energy: -92.970
flat angles C4'-P-C4' energy: -53.068
flat angles P-C4'-P energy: -33.783
tors. eta vs tors. theta energy: -6.590
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: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1568.801987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.801987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.801987 (E_RNA)
where:
Base-Base interactions energy: -1097.590
where: short stacking energy: -472.349
Base-Backbone interact. energy: -1.891
local terms energy: -469.321116
where:
bonds (distance) C4'-P energy: -97.264
bonds (distance) P-C4' energy: -93.556
flat angles C4'-P-C4' energy: -92.018
flat angles P-C4'-P energy: -56.266
tors. eta vs tors. theta energy: -130.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1464.570547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.570547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.570547 (E_RNA)
where:
Base-Base interactions energy: -1005.229
where: short stacking energy: -437.653
Base-Backbone interact. energy: -0.719
local terms energy: -458.622884
where:
bonds (distance) C4'-P energy: -98.252
bonds (distance) P-C4' energy: -82.612
flat angles C4'-P-C4' energy: -93.360
flat angles P-C4'-P energy: -66.318
tors. eta vs tors. theta energy: -118.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1402.087024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.087024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.087024 (E_RNA)
where:
Base-Base interactions energy: -945.319
where: short stacking energy: -423.772
Base-Backbone interact. energy: -3.056
local terms energy: -453.711828
where:
bonds (distance) C4'-P energy: -82.701
bonds (distance) P-C4' energy: -87.950
flat angles C4'-P-C4' energy: -96.982
flat angles P-C4'-P energy: -62.263
tors. eta vs tors. theta energy: -123.816
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: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1349.223298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.223298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.223298 (E_RNA)
where:
Base-Base interactions energy: -897.091
where: short stacking energy: -401.238
Base-Backbone interact. energy: -2.686
local terms energy: -449.447043
where:
bonds (distance) C4'-P energy: -91.095
bonds (distance) P-C4' energy: -86.508
flat angles C4'-P-C4' energy: -94.889
flat angles P-C4'-P energy: -66.578
tors. eta vs tors. theta energy: -110.377
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: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1259.222636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.222636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.222636 (E_RNA)
where:
Base-Base interactions energy: -834.337
where: short stacking energy: -352.832
Base-Backbone interact. energy: -0.814
local terms energy: -424.071863
where:
bonds (distance) C4'-P energy: -101.212
bonds (distance) P-C4' energy: -83.813
flat angles C4'-P-C4' energy: -90.537
flat angles P-C4'-P energy: -63.492
tors. eta vs tors. theta energy: -85.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1095.121931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.121931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.121931 (E_RNA)
where:
Base-Base interactions energy: -717.917
where: short stacking energy: -337.117
Base-Backbone interact. energy: 0.958
local terms energy: -378.161990
where:
bonds (distance) C4'-P energy: -81.260
bonds (distance) P-C4' energy: -86.138
flat angles C4'-P-C4' energy: -78.673
flat angles P-C4'-P energy: -62.920
tors. eta vs tors. theta energy: -69.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1002.192797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.192797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.192797 (E_RNA)
where:
Base-Base interactions energy: -649.184
where: short stacking energy: -301.981
Base-Backbone interact. energy: -0.853
local terms energy: -352.155419
where:
bonds (distance) C4'-P energy: -81.020
bonds (distance) P-C4' energy: -75.677
flat angles C4'-P-C4' energy: -86.731
flat angles P-C4'-P energy: -51.600
tors. eta vs tors. theta energy: -57.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -802.705012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.705012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.705012 (E_RNA)
where:
Base-Base interactions energy: -498.030
where: short stacking energy: -253.836
Base-Backbone interact. energy: 1.271
local terms energy: -305.945679
where:
bonds (distance) C4'-P energy: -79.067
bonds (distance) P-C4' energy: -81.515
flat angles C4'-P-C4' energy: -67.501
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -36.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -699.424566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.424566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.424566 (E_RNA)
where:
Base-Base interactions energy: -406.760
where: short stacking energy: -227.789
Base-Backbone interact. energy: 3.200
local terms energy: -295.864002
where:
bonds (distance) C4'-P energy: -71.167
bonds (distance) P-C4' energy: -73.236
flat angles C4'-P-C4' energy: -67.380
flat angles P-C4'-P energy: -48.804
tors. eta vs tors. theta energy: -35.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -603.886407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.886407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.886407 (E_RNA)
where:
Base-Base interactions energy: -338.488
where: short stacking energy: -177.070
Base-Backbone interact. energy: 2.731
local terms energy: -268.129309
where:
bonds (distance) C4'-P energy: -82.132
bonds (distance) P-C4' energy: -83.837
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -37.345
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1550.137376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.137376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.137376 (E_RNA)
where:
Base-Base interactions energy: -1081.417
where: short stacking energy: -456.708
Base-Backbone interact. energy: -2.342
local terms energy: -466.378138
where:
bonds (distance) C4'-P energy: -80.245
bonds (distance) P-C4' energy: -85.451
flat angles C4'-P-C4' energy: -105.920
flat angles P-C4'-P energy: -66.755
tors. eta vs tors. theta energy: -128.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1464.492060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.492060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.492060 (E_RNA)
where:
Base-Base interactions energy: -1012.867
where: short stacking energy: -436.839
Base-Backbone interact. energy: -2.051
local terms energy: -449.574116
where:
bonds (distance) C4'-P energy: -86.443
bonds (distance) P-C4' energy: -82.630
flat angles C4'-P-C4' energy: -98.339
flat angles P-C4'-P energy: -67.325
tors. eta vs tors. theta energy: -114.837
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: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1323.425611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.425611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.425611 (E_RNA)
where:
Base-Base interactions energy: -895.551
where: short stacking energy: -379.192
Base-Backbone interact. energy: -0.317
local terms energy: -427.557882
where:
bonds (distance) C4'-P energy: -81.263
bonds (distance) P-C4' energy: -90.197
flat angles C4'-P-C4' energy: -101.808
flat angles P-C4'-P energy: -59.124
tors. eta vs tors. theta energy: -95.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1363.418345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.418345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.418345 (E_RNA)
where:
Base-Base interactions energy: -924.290
where: short stacking energy: -425.466
Base-Backbone interact. energy: 3.887
local terms energy: -443.015222
where:
bonds (distance) C4'-P energy: -80.062
bonds (distance) P-C4' energy: -87.980
flat angles C4'-P-C4' energy: -91.248
flat angles P-C4'-P energy: -55.854
tors. eta vs tors. theta energy: -127.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1298.205278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.205278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.205278 (E_RNA)
where:
Base-Base interactions energy: -885.807
where: short stacking energy: -409.270
Base-Backbone interact. energy: -3.033
local terms energy: -409.365616
where:
bonds (distance) C4'-P energy: -82.690
bonds (distance) P-C4' energy: -81.289
flat angles C4'-P-C4' energy: -90.102
flat angles P-C4'-P energy: -45.709
tors. eta vs tors. theta energy: -109.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1158.197409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.197409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.197409 (E_RNA)
where:
Base-Base interactions energy: -739.999
where: short stacking energy: -333.903
Base-Backbone interact. energy: -1.852
local terms energy: -416.346163
where:
bonds (distance) C4'-P energy: -87.165
bonds (distance) P-C4' energy: -89.663
flat angles C4'-P-C4' energy: -90.391
flat angles P-C4'-P energy: -55.943
tors. eta vs tors. theta energy: -93.185
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: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -985.425152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.425152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.425152 (E_RNA)
where:
Base-Base interactions energy: -614.806
where: short stacking energy: -306.285
Base-Backbone interact. energy: -2.708
local terms energy: -367.910471
where:
bonds (distance) C4'-P energy: -83.976
bonds (distance) P-C4' energy: -70.986
flat angles C4'-P-C4' energy: -88.248
flat angles P-C4'-P energy: -56.671
tors. eta vs tors. theta energy: -68.028
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: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -784.558308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.558308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.558308 (E_RNA)
where:
Base-Base interactions energy: -470.592
where: short stacking energy: -236.682
Base-Backbone interact. energy: -0.100
local terms energy: -313.865710
where:
bonds (distance) C4'-P energy: -81.050
bonds (distance) P-C4' energy: -75.379
flat angles C4'-P-C4' energy: -69.558
flat angles P-C4'-P energy: -44.442
tors. eta vs tors. theta energy: -43.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -690.953235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.953235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.953235 (E_RNA)
where:
Base-Base interactions energy: -412.952
where: short stacking energy: -185.564
Base-Backbone interact. energy: -2.008
local terms energy: -275.993819
where:
bonds (distance) C4'-P energy: -63.604
bonds (distance) P-C4' energy: -73.530
flat angles C4'-P-C4' energy: -79.951
flat angles P-C4'-P energy: -45.645
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: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -599.163198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.163198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.163198 (E_RNA)
where:
Base-Base interactions energy: -323.968
where: short stacking energy: -162.591
Base-Backbone interact. energy: -0.661
local terms energy: -274.534593
where:
bonds (distance) C4'-P energy: -69.521
bonds (distance) P-C4' energy: -75.005
flat angles C4'-P-C4' energy: -84.778
flat angles P-C4'-P energy: -38.987
tors. eta vs tors. theta energy: -6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1585.897033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.897033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.897033 (E_RNA)
where:
Base-Base interactions energy: -1086.519
where: short stacking energy: -464.331
Base-Backbone interact. energy: -3.279
local terms energy: -496.098092
where:
bonds (distance) C4'-P energy: -96.756
bonds (distance) P-C4' energy: -94.699
flat angles C4'-P-C4' energy: -105.714
flat angles P-C4'-P energy: -65.894
tors. eta vs tors. theta energy: -133.035
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: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1471.616692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.616692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.616692 (E_RNA)
where:
Base-Base interactions energy: -1005.390
where: short stacking energy: -458.959
Base-Backbone interact. energy: 1.099
local terms energy: -467.325636
where:
bonds (distance) C4'-P energy: -94.123
bonds (distance) P-C4' energy: -85.982
flat angles C4'-P-C4' energy: -101.285
flat angles P-C4'-P energy: -62.285
tors. eta vs tors. theta energy: -123.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1343.672754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.672754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.672754 (E_RNA)
where:
Base-Base interactions energy: -892.644
where: short stacking energy: -399.389
Base-Backbone interact. energy: -0.450
local terms energy: -450.578024
where:
bonds (distance) C4'-P energy: -95.804
bonds (distance) P-C4' energy: -84.978
flat angles C4'-P-C4' energy: -106.645
flat angles P-C4'-P energy: -64.628
tors. eta vs tors. theta energy: -98.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1347.576649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.576649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.576649 (E_RNA)
where:
Base-Base interactions energy: -901.187
where: short stacking energy: -395.153
Base-Backbone interact. energy: -2.480
local terms energy: -443.909681
where:
bonds (distance) C4'-P energy: -89.180
bonds (distance) P-C4' energy: -87.877
flat angles C4'-P-C4' energy: -90.325
flat angles P-C4'-P energy: -62.871
tors. eta vs tors. theta energy: -113.656
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: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1316.978974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.978974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.978974 (E_RNA)
where:
Base-Base interactions energy: -912.583
where: short stacking energy: -383.458
Base-Backbone interact. energy: -1.774
local terms energy: -402.622495
where:
bonds (distance) C4'-P energy: -72.436
bonds (distance) P-C4' energy: -86.920
flat angles C4'-P-C4' energy: -94.202
flat angles P-C4'-P energy: -54.099
tors. eta vs tors. theta energy: -94.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1119.384146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.384146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.384146 (E_RNA)
where:
Base-Base interactions energy: -751.101
where: short stacking energy: -330.748
Base-Backbone interact. energy: -2.516
local terms energy: -365.767352
where:
bonds (distance) C4'-P energy: -76.804
bonds (distance) P-C4' energy: -72.316
flat angles C4'-P-C4' energy: -94.054
flat angles P-C4'-P energy: -44.719
tors. eta vs tors. theta energy: -77.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -980.990173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.990173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.990173 (E_RNA)
where:
Base-Base interactions energy: -643.573
where: short stacking energy: -293.637
Base-Backbone interact. energy: -0.258
local terms energy: -337.159396
where:
bonds (distance) C4'-P energy: -83.775
bonds (distance) P-C4' energy: -70.133
flat angles C4'-P-C4' energy: -84.280
flat angles P-C4'-P energy: -43.994
tors. eta vs tors. theta energy: -54.978
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: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -829.298319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.298319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.298319 (E_RNA)
where:
Base-Base interactions energy: -522.676
where: short stacking energy: -284.514
Base-Backbone interact. energy: -0.594
local terms energy: -306.028341
where:
bonds (distance) C4'-P energy: -68.769
bonds (distance) P-C4' energy: -69.327
flat angles C4'-P-C4' energy: -75.386
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -51.159
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: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -754.473205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.473205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.473205 (E_RNA)
where:
Base-Base interactions energy: -472.301
where: short stacking energy: -225.321
Base-Backbone interact. energy: 1.191
local terms energy: -283.362587
where:
bonds (distance) C4'-P energy: -60.019
bonds (distance) P-C4' energy: -78.563
flat angles C4'-P-C4' energy: -72.804
flat angles P-C4'-P energy: -40.334
tors. eta vs tors. theta energy: -31.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -609.423058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.423058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.423058 (E_RNA)
where:
Base-Base interactions energy: -328.109
where: short stacking energy: -172.764
Base-Backbone interact. energy: -1.395
local terms energy: -279.919337
where:
bonds (distance) C4'-P energy: -73.094
bonds (distance) P-C4' energy: -82.782
flat angles C4'-P-C4' energy: -58.247
flat angles P-C4'-P energy: -53.143
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: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1563.631212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.631212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.631212 (E_RNA)
where:
Base-Base interactions energy: -1089.480
where: short stacking energy: -453.010
Base-Backbone interact. energy: -3.961
local terms energy: -470.190060
where:
bonds (distance) C4'-P energy: -91.044
bonds (distance) P-C4' energy: -92.718
flat angles C4'-P-C4' energy: -107.359
flat angles P-C4'-P energy: -55.138
tors. eta vs tors. theta energy: -123.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1480.771569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.771569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.771569 (E_RNA)
where:
Base-Base interactions energy: -1005.964
where: short stacking energy: -464.873
Base-Backbone interact. energy: 0.078
local terms energy: -474.885593
where:
bonds (distance) C4'-P energy: -95.028
bonds (distance) P-C4' energy: -85.663
flat angles C4'-P-C4' energy: -99.162
flat angles P-C4'-P energy: -69.251
tors. eta vs tors. theta energy: -125.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1382.667218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.667218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.667218 (E_RNA)
where:
Base-Base interactions energy: -932.325
where: short stacking energy: -406.619
Base-Backbone interact. energy: -2.846
local terms energy: -447.496350
where:
bonds (distance) C4'-P energy: -94.183
bonds (distance) P-C4' energy: -99.182
flat angles C4'-P-C4' energy: -92.846
flat angles P-C4'-P energy: -53.648
tors. eta vs tors. theta energy: -107.637
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: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1325.731069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.731069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.731069 (E_RNA)
where:
Base-Base interactions energy: -916.194
where: short stacking energy: -404.249
Base-Backbone interact. energy: -1.576
local terms energy: -407.961919
where:
bonds (distance) C4'-P energy: -84.098
bonds (distance) P-C4' energy: -76.706
flat angles C4'-P-C4' energy: -90.490
flat angles P-C4'-P energy: -56.430
tors. eta vs tors. theta energy: -100.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1288.300803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.300803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.300803 (E_RNA)
where:
Base-Base interactions energy: -874.829
where: short stacking energy: -384.156
Base-Backbone interact. energy: -0.422
local terms energy: -413.049516
where:
bonds (distance) C4'-P energy: -74.582
bonds (distance) P-C4' energy: -93.083
flat angles C4'-P-C4' energy: -86.709
flat angles P-C4'-P energy: -57.893
tors. eta vs tors. theta energy: -100.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1134.030969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.030969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.030969 (E_RNA)
where:
Base-Base interactions energy: -745.870
where: short stacking energy: -333.920
Base-Backbone interact. energy: 0.106
local terms energy: -388.267256
where:
bonds (distance) C4'-P energy: -83.608
bonds (distance) P-C4' energy: -89.569
flat angles C4'-P-C4' energy: -89.084
flat angles P-C4'-P energy: -51.721
tors. eta vs tors. theta energy: -74.286
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: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -973.663921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.663921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.663921 (E_RNA)
where:
Base-Base interactions energy: -631.029
where: short stacking energy: -303.126
Base-Backbone interact. energy: -1.067
local terms energy: -341.568141
where:
bonds (distance) C4'-P energy: -60.283
bonds (distance) P-C4' energy: -90.901
flat angles C4'-P-C4' energy: -77.152
flat angles P-C4'-P energy: -47.556
tors. eta vs tors. theta energy: -65.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -835.200078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.200078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.200078 (E_RNA)
where:
Base-Base interactions energy: -523.926
where: short stacking energy: -269.705
Base-Backbone interact. energy: 1.395
local terms energy: -312.669185
where:
bonds (distance) C4'-P energy: -67.310
bonds (distance) P-C4' energy: -83.724
flat angles C4'-P-C4' energy: -79.396
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -42.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -705.856466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.856466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.856466 (E_RNA)
where:
Base-Base interactions energy: -405.484
where: short stacking energy: -205.497
Base-Backbone interact. energy: -1.559
local terms energy: -298.813474
where:
bonds (distance) C4'-P energy: -86.951
bonds (distance) P-C4' energy: -86.241
flat angles C4'-P-C4' energy: -60.427
flat angles P-C4'-P energy: -45.660
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: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -611.378402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.378402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.378402 (E_RNA)
where:
Base-Base interactions energy: -333.239
where: short stacking energy: -177.840
Base-Backbone interact. energy: 0.733
local terms energy: -278.872516
where:
bonds (distance) C4'-P energy: -70.448
bonds (distance) P-C4' energy: -87.765
flat angles C4'-P-C4' energy: -62.650
flat angles P-C4'-P energy: -39.952
tors. eta vs tors. theta energy: -18.056
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: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1571.099001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.099001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.099001 (E_RNA)
where:
Base-Base interactions energy: -1082.554
where: short stacking energy: -454.952
Base-Backbone interact. energy: -2.650
local terms energy: -485.895136
where:
bonds (distance) C4'-P energy: -98.439
bonds (distance) P-C4' energy: -82.174
flat angles C4'-P-C4' energy: -102.778
flat angles P-C4'-P energy: -70.722
tors. eta vs tors. theta energy: -131.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1487.875271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.875271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.875271 (E_RNA)
where:
Base-Base interactions energy: -1026.796
where: short stacking energy: -446.248
Base-Backbone interact. energy: -0.572
local terms energy: -460.507528
where:
bonds (distance) C4'-P energy: -83.909
bonds (distance) P-C4' energy: -90.637
flat angles C4'-P-C4' energy: -99.996
flat angles P-C4'-P energy: -61.706
tors. eta vs tors. theta energy: -124.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1388.280123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.280123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.280123 (E_RNA)
where:
Base-Base interactions energy: -936.183
where: short stacking energy: -426.668
Base-Backbone interact. energy: 1.672
local terms energy: -453.769649
where:
bonds (distance) C4'-P energy: -82.556
bonds (distance) P-C4' energy: -87.049
flat angles C4'-P-C4' energy: -99.963
flat angles P-C4'-P energy: -74.386
tors. eta vs tors. theta energy: -109.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1332.159111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.159111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.159111 (E_RNA)
where:
Base-Base interactions energy: -912.343
where: short stacking energy: -375.912
Base-Backbone interact. energy: -1.297
local terms energy: -418.519418
where:
bonds (distance) C4'-P energy: -88.968
bonds (distance) P-C4' energy: -97.961
flat angles C4'-P-C4' energy: -83.743
flat angles P-C4'-P energy: -49.242
tors. eta vs tors. theta energy: -98.605
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: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1317.300762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.300762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.300762 (E_RNA)
where:
Base-Base interactions energy: -896.712
where: short stacking energy: -394.387
Base-Backbone interact. energy: -1.042
local terms energy: -419.546374
where:
bonds (distance) C4'-P energy: -69.107
bonds (distance) P-C4' energy: -86.813
flat angles C4'-P-C4' energy: -93.336
flat angles P-C4'-P energy: -56.124
tors. eta vs tors. theta energy: -114.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1180.872926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.872926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.872926 (E_RNA)
where:
Base-Base interactions energy: -784.338
where: short stacking energy: -337.640
Base-Backbone interact. energy: -2.524
local terms energy: -394.010414
where:
bonds (distance) C4'-P energy: -75.559
bonds (distance) P-C4' energy: -82.270
flat angles C4'-P-C4' energy: -88.223
flat angles P-C4'-P energy: -66.377
tors. eta vs tors. theta energy: -81.581
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: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -986.000177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.000177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.000177 (E_RNA)
where:
Base-Base interactions energy: -641.218
where: short stacking energy: -310.587
Base-Backbone interact. energy: -2.228
local terms energy: -342.554050
where:
bonds (distance) C4'-P energy: -75.551
bonds (distance) P-C4' energy: -63.988
flat angles C4'-P-C4' energy: -81.122
flat angles P-C4'-P energy: -49.470
tors. eta vs tors. theta energy: -72.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -815.758000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.758000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.758000 (E_RNA)
where:
Base-Base interactions energy: -497.866
where: short stacking energy: -221.088
Base-Backbone interact. energy: -0.437
local terms energy: -317.454378
where:
bonds (distance) C4'-P energy: -76.961
bonds (distance) P-C4' energy: -71.628
flat angles C4'-P-C4' energy: -80.377
flat angles P-C4'-P energy: -50.507
tors. eta vs tors. theta energy: -37.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -631.158653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.158653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.158653 (E_RNA)
where:
Base-Base interactions energy: -341.828
where: short stacking energy: -183.552
Base-Backbone interact. energy: 1.225
local terms energy: -290.556112
where:
bonds (distance) C4'-P energy: -60.651
bonds (distance) P-C4' energy: -92.376
flat angles C4'-P-C4' energy: -79.309
flat angles P-C4'-P energy: -40.727
tors. eta vs tors. theta energy: -17.493
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: 132
Temperature: 1.350000
Total energy: -617.735364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.735364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.735364 (E_RNA)
where:
Base-Base interactions energy: -371.364
where: short stacking energy: -166.041
Base-Backbone interact. energy: -2.069
local terms energy: -244.302762
where:
bonds (distance) C4'-P energy: -71.477
bonds (distance) P-C4' energy: -81.799
flat angles C4'-P-C4' energy: -53.455
flat angles P-C4'-P energy: -35.412
tors. eta vs tors. theta energy: -2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1563.840124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.840124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.840124 (E_RNA)
where:
Base-Base interactions energy: -1085.958
where: short stacking energy: -456.935
Base-Backbone interact. energy: -4.127
local terms energy: -473.754479
where:
bonds (distance) C4'-P energy: -86.460
bonds (distance) P-C4' energy: -97.703
flat angles C4'-P-C4' energy: -98.359
flat angles P-C4'-P energy: -64.185
tors. eta vs tors. theta energy: -127.047
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: 133
Temperature: 0.950000
Total energy: -1464.895767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.895767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.895767 (E_RNA)
where:
Base-Base interactions energy: -994.665
where: short stacking energy: -428.625
Base-Backbone interact. energy: -1.292
local terms energy: -468.938367
where:
bonds (distance) C4'-P energy: -86.220
bonds (distance) P-C4' energy: -92.453
flat angles C4'-P-C4' energy: -97.956
flat angles P-C4'-P energy: -66.941
tors. eta vs tors. theta energy: -125.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1396.276830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.276830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.276830 (E_RNA)
where:
Base-Base interactions energy: -936.275
where: short stacking energy: -402.578
Base-Backbone interact. energy: 0.355
local terms energy: -460.356512
where:
bonds (distance) C4'-P energy: -92.784
bonds (distance) P-C4' energy: -88.566
flat angles C4'-P-C4' energy: -105.117
flat angles P-C4'-P energy: -59.943
tors. eta vs tors. theta energy: -113.946
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: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1347.842067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.842067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.842067 (E_RNA)
where:
Base-Base interactions energy: -907.783
where: short stacking energy: -392.703
Base-Backbone interact. energy: -2.342
local terms energy: -437.717078
where:
bonds (distance) C4'-P energy: -86.657
bonds (distance) P-C4' energy: -86.549
flat angles C4'-P-C4' energy: -98.064
flat angles P-C4'-P energy: -56.864
tors. eta vs tors. theta energy: -109.583
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: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1286.744870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.744870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.744870 (E_RNA)
where:
Base-Base interactions energy: -891.742
where: short stacking energy: -390.956
Base-Backbone interact. energy: -1.619
local terms energy: -393.383412
where:
bonds (distance) C4'-P energy: -76.620
bonds (distance) P-C4' energy: -66.181
flat angles C4'-P-C4' energy: -86.792
flat angles P-C4'-P energy: -57.260
tors. eta vs tors. theta energy: -106.530
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: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1111.904733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.904733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.904733 (E_RNA)
where:
Base-Base interactions energy: -702.204
where: short stacking energy: -322.755
Base-Backbone interact. energy: -1.188
local terms energy: -408.512985
where:
bonds (distance) C4'-P energy: -91.726
bonds (distance) P-C4' energy: -97.476
flat angles C4'-P-C4' energy: -84.745
flat angles P-C4'-P energy: -51.730
tors. eta vs tors. theta energy: -82.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -983.975692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.975692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.975692 (E_RNA)
where:
Base-Base interactions energy: -643.110
where: short stacking energy: -281.086
Base-Backbone interact. energy: -1.128
local terms energy: -339.737641
where:
bonds (distance) C4'-P energy: -80.140
bonds (distance) P-C4' energy: -73.426
flat angles C4'-P-C4' energy: -73.184
flat angles P-C4'-P energy: -55.809
tors. eta vs tors. theta energy: -57.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -851.694633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.694633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.694633 (E_RNA)
where:
Base-Base interactions energy: -515.322
where: short stacking energy: -252.066
Base-Backbone interact. energy: -1.621
local terms energy: -334.751619
where:
bonds (distance) C4'-P energy: -81.367
bonds (distance) P-C4' energy: -92.107
flat angles C4'-P-C4' energy: -72.713
flat angles P-C4'-P energy: -47.474
tors. eta vs tors. theta energy: -41.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -691.155530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.155530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.155530 (E_RNA)
where:
Base-Base interactions energy: -386.286
where: short stacking energy: -215.142
Base-Backbone interact. energy: -2.019
local terms energy: -302.850831
where:
bonds (distance) C4'-P energy: -76.031
bonds (distance) P-C4' energy: -71.850
flat angles C4'-P-C4' energy: -64.889
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -46.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -717.069994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.069994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.069994 (E_RNA)
where:
Base-Base interactions energy: -434.730
where: short stacking energy: -199.933
Base-Backbone interact. energy: -2.158
local terms energy: -280.181877
where:
bonds (distance) C4'-P energy: -68.249
bonds (distance) P-C4' energy: -76.688
flat angles C4'-P-C4' energy: -74.312
flat angles P-C4'-P energy: -43.222
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1559.148738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.148738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.148738 (E_RNA)
where:
Base-Base interactions energy: -1112.502
where: short stacking energy: -448.085
Base-Backbone interact. energy: -1.175
local terms energy: -445.471169
where:
bonds (distance) C4'-P energy: -87.714
bonds (distance) P-C4' energy: -77.558
flat angles C4'-P-C4' energy: -100.696
flat angles P-C4'-P energy: -48.024
tors. eta vs tors. theta energy: -131.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1490.418953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.418953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.418953 (E_RNA)
where:
Base-Base interactions energy: -1029.593
where: short stacking energy: -456.611
Base-Backbone interact. energy: -2.506
local terms energy: -458.319272
where:
bonds (distance) C4'-P energy: -77.573
bonds (distance) P-C4' energy: -90.121
flat angles C4'-P-C4' energy: -94.500
flat angles P-C4'-P energy: -63.299
tors. eta vs tors. theta energy: -132.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1456.472636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.472636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.472636 (E_RNA)
where:
Base-Base interactions energy: -1004.005
where: short stacking energy: -432.251
Base-Backbone interact. energy: -2.366
local terms energy: -450.101068
where:
bonds (distance) C4'-P energy: -83.863
bonds (distance) P-C4' energy: -96.894
flat angles C4'-P-C4' energy: -92.948
flat angles P-C4'-P energy: -60.323
tors. eta vs tors. theta energy: -116.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1367.269198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.269198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.269198 (E_RNA)
where:
Base-Base interactions energy: -936.424
where: short stacking energy: -416.529
Base-Backbone interact. energy: -0.348
local terms energy: -430.496821
where:
bonds (distance) C4'-P energy: -83.120
bonds (distance) P-C4' energy: -87.633
flat angles C4'-P-C4' energy: -93.596
flat angles P-C4'-P energy: -51.111
tors. eta vs tors. theta energy: -115.038
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: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1212.663771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.663771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.663771 (E_RNA)
where:
Base-Base interactions energy: -818.236
where: short stacking energy: -350.664
Base-Backbone interact. energy: -2.192
local terms energy: -392.234984
where:
bonds (distance) C4'-P energy: -87.393
bonds (distance) P-C4' energy: -71.676
flat angles C4'-P-C4' energy: -89.741
flat angles P-C4'-P energy: -65.384
tors. eta vs tors. theta energy: -78.041
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: 134
Temperature: 1.150000
Total energy: -1122.034792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.034792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.034792 (E_RNA)
where:
Base-Base interactions energy: -739.581
where: short stacking energy: -341.275
Base-Backbone interact. energy: -2.317
local terms energy: -380.136848
where:
bonds (distance) C4'-P energy: -74.708
bonds (distance) P-C4' energy: -76.994
flat angles C4'-P-C4' energy: -83.947
flat angles P-C4'-P energy: -50.536
tors. eta vs tors. theta energy: -93.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -979.630844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.630844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.630844 (E_RNA)
where:
Base-Base interactions energy: -627.832
where: short stacking energy: -295.302
Base-Backbone interact. energy: -1.786
local terms energy: -350.012509
where:
bonds (distance) C4'-P energy: -79.986
bonds (distance) P-C4' energy: -79.518
flat angles C4'-P-C4' energy: -87.056
flat angles P-C4'-P energy: -43.914
tors. eta vs tors. theta energy: -59.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -791.319832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.319832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.319832 (E_RNA)
where:
Base-Base interactions energy: -490.973
where: short stacking energy: -235.837
Base-Backbone interact. energy: -1.067
local terms energy: -299.279285
where:
bonds (distance) C4'-P energy: -73.097
bonds (distance) P-C4' energy: -73.350
flat angles C4'-P-C4' energy: -75.843
flat angles P-C4'-P energy: -43.132
tors. eta vs tors. theta energy: -33.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -743.994329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.994329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.994329 (E_RNA)
where:
Base-Base interactions energy: -442.719
where: short stacking energy: -221.325
Base-Backbone interact. energy: -0.526
local terms energy: -300.748569
where:
bonds (distance) C4'-P energy: -65.270
bonds (distance) P-C4' energy: -74.562
flat angles C4'-P-C4' energy: -81.155
flat angles P-C4'-P energy: -42.332
tors. eta vs tors. theta energy: -37.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -621.910739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.910739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.910739 (E_RNA)
where:
Base-Base interactions energy: -359.498
where: short stacking energy: -175.666
Base-Backbone interact. energy: -1.715
local terms energy: -260.697631
where:
bonds (distance) C4'-P energy: -56.962
bonds (distance) P-C4' energy: -75.962
flat angles C4'-P-C4' energy: -73.946
flat angles P-C4'-P energy: -34.419
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1563.415957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.415957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.415957 (E_RNA)
where:
Base-Base interactions energy: -1099.068
where: short stacking energy: -464.247
Base-Backbone interact. energy: -1.209
local terms energy: -463.139080
where:
bonds (distance) C4'-P energy: -82.246
bonds (distance) P-C4' energy: -90.468
flat angles C4'-P-C4' energy: -93.640
flat angles P-C4'-P energy: -70.938
tors. eta vs tors. theta energy: -125.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1429.488233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.488233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.488233 (E_RNA)
where:
Base-Base interactions energy: -987.705
where: short stacking energy: -418.208
Base-Backbone interact. energy: -3.837
local terms energy: -437.946476
where:
bonds (distance) C4'-P energy: -84.067
bonds (distance) P-C4' energy: -92.117
flat angles C4'-P-C4' energy: -96.296
flat angles P-C4'-P energy: -48.068
tors. eta vs tors. theta energy: -117.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1400.212037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.212037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.212037 (E_RNA)
where:
Base-Base interactions energy: -987.885
where: short stacking energy: -410.959
Base-Backbone interact. energy: -1.779
local terms energy: -410.547422
where:
bonds (distance) C4'-P energy: -72.268
bonds (distance) P-C4' energy: -90.005
flat angles C4'-P-C4' energy: -80.302
flat angles P-C4'-P energy: -61.360
tors. eta vs tors. theta energy: -106.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1358.322050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.322050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.322050 (E_RNA)
where:
Base-Base interactions energy: -908.580
where: short stacking energy: -379.326
Base-Backbone interact. energy: -3.665
local terms energy: -446.076619
where:
bonds (distance) C4'-P energy: -90.828
bonds (distance) P-C4' energy: -92.747
flat angles C4'-P-C4' energy: -93.417
flat angles P-C4'-P energy: -71.255
tors. eta vs tors. theta energy: -97.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1227.202619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.202619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.202619 (E_RNA)
where:
Base-Base interactions energy: -818.985
where: short stacking energy: -368.793
Base-Backbone interact. energy: -2.467
local terms energy: -405.750594
where:
bonds (distance) C4'-P energy: -61.402
bonds (distance) P-C4' energy: -87.708
flat angles C4'-P-C4' energy: -101.222
flat angles P-C4'-P energy: -56.268
tors. eta vs tors. theta energy: -99.151
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: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1169.427774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.427774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.427774 (E_RNA)
where:
Base-Base interactions energy: -763.977
where: short stacking energy: -346.939
Base-Backbone interact. energy: 1.175
local terms energy: -406.625091
where:
bonds (distance) C4'-P energy: -64.801
bonds (distance) P-C4' energy: -98.373
flat angles C4'-P-C4' energy: -92.972
flat angles P-C4'-P energy: -60.965
tors. eta vs tors. theta energy: -89.515
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: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -996.820683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.820683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.820683 (E_RNA)
where:
Base-Base interactions energy: -612.823
where: short stacking energy: -288.694
Base-Backbone interact. energy: 1.668
local terms energy: -385.665852
where:
bonds (distance) C4'-P energy: -79.150
bonds (distance) P-C4' energy: -81.878
flat angles C4'-P-C4' energy: -98.412
flat angles P-C4'-P energy: -59.115
tors. eta vs tors. theta energy: -67.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -857.216549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.216549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.216549 (E_RNA)
where:
Base-Base interactions energy: -543.595
where: short stacking energy: -256.111
Base-Backbone interact. energy: 2.842
local terms energy: -316.464287
where:
bonds (distance) C4'-P energy: -75.405
bonds (distance) P-C4' energy: -76.338
flat angles C4'-P-C4' energy: -80.267
flat angles P-C4'-P energy: -54.322
tors. eta vs tors. theta energy: -30.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -740.738076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.738076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.738076 (E_RNA)
where:
Base-Base interactions energy: -461.901
where: short stacking energy: -207.521
Base-Backbone interact. energy: -0.368
local terms energy: -278.468988
where:
bonds (distance) C4'-P energy: -79.420
bonds (distance) P-C4' energy: -71.921
flat angles C4'-P-C4' energy: -57.734
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -24.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -641.442995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.442995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.442995 (E_RNA)
where:
Base-Base interactions energy: -401.517
where: short stacking energy: -176.523
Base-Backbone interact. energy: 4.283
local terms energy: -244.208253
where:
bonds (distance) C4'-P energy: -73.465
bonds (distance) P-C4' energy: -66.698
flat angles C4'-P-C4' energy: -72.163
flat angles P-C4'-P energy: -21.170
tors. eta vs tors. theta energy: -10.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1579.992963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.992963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.992963 (E_RNA)
where:
Base-Base interactions energy: -1098.274
where: short stacking energy: -469.550
Base-Backbone interact. energy: -0.384
local terms energy: -481.334939
where:
bonds (distance) C4'-P energy: -94.613
bonds (distance) P-C4' energy: -95.121
flat angles C4'-P-C4' energy: -99.175
flat angles P-C4'-P energy: -69.208
tors. eta vs tors. theta energy: -123.218
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: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1422.036467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.036467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.036467 (E_RNA)
where:
Base-Base interactions energy: -945.622
where: short stacking energy: -413.940
Base-Backbone interact. energy: -0.816
local terms energy: -475.598915
where:
bonds (distance) C4'-P energy: -90.488
bonds (distance) P-C4' energy: -100.986
flat angles C4'-P-C4' energy: -100.909
flat angles P-C4'-P energy: -62.832
tors. eta vs tors. theta energy: -120.384
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: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1407.154637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.154637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.154637 (E_RNA)
where:
Base-Base interactions energy: -961.529
where: short stacking energy: -427.608
Base-Backbone interact. energy: 0.247
local terms energy: -445.872241
where:
bonds (distance) C4'-P energy: -82.847
bonds (distance) P-C4' energy: -84.434
flat angles C4'-P-C4' energy: -91.564
flat angles P-C4'-P energy: -65.486
tors. eta vs tors. theta energy: -121.542
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: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1321.218407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.218407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.218407 (E_RNA)
where:
Base-Base interactions energy: -904.103
where: short stacking energy: -391.472
Base-Backbone interact. energy: 3.146
local terms energy: -420.260938
where:
bonds (distance) C4'-P energy: -74.873
bonds (distance) P-C4' energy: -87.528
flat angles C4'-P-C4' energy: -96.325
flat angles P-C4'-P energy: -54.544
tors. eta vs tors. theta energy: -106.992
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: 136
Temperature: 1.100000
Total energy: -1230.235417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.235417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.235417 (E_RNA)
where:
Base-Base interactions energy: -843.196
where: short stacking energy: -397.589
Base-Backbone interact. energy: 2.257
local terms energy: -389.296236
where:
bonds (distance) C4'-P energy: -76.927
bonds (distance) P-C4' energy: -80.012
flat angles C4'-P-C4' energy: -88.352
flat angles P-C4'-P energy: -48.858
tors. eta vs tors. theta energy: -95.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1153.980284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.980284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.980284 (E_RNA)
where:
Base-Base interactions energy: -768.775
where: short stacking energy: -346.434
Base-Backbone interact. energy: -1.725
local terms energy: -383.480205
where:
bonds (distance) C4'-P energy: -80.065
bonds (distance) P-C4' energy: -85.858
flat angles C4'-P-C4' energy: -83.901
flat angles P-C4'-P energy: -52.041
tors. eta vs tors. theta energy: -81.615
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: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1010.234029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.234029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.234029 (E_RNA)
where:
Base-Base interactions energy: -639.391
where: short stacking energy: -278.361
Base-Backbone interact. energy: -3.071
local terms energy: -367.771780
where:
bonds (distance) C4'-P energy: -78.410
bonds (distance) P-C4' energy: -76.905
flat angles C4'-P-C4' energy: -81.018
flat angles P-C4'-P energy: -57.876
tors. eta vs tors. theta energy: -73.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -849.266061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.266061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.266061 (E_RNA)
where:
Base-Base interactions energy: -555.864
where: short stacking energy: -263.738
Base-Backbone interact. energy: -2.040
local terms energy: -291.361875
where:
bonds (distance) C4'-P energy: -69.580
bonds (distance) P-C4' energy: -64.817
flat angles C4'-P-C4' energy: -78.307
flat angles P-C4'-P energy: -43.898
tors. eta vs tors. theta energy: -34.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -713.463384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.463384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.463384 (E_RNA)
where:
Base-Base interactions energy: -437.177
where: short stacking energy: -201.290
Base-Backbone interact. energy: -2.292
local terms energy: -273.994758
where:
bonds (distance) C4'-P energy: -64.041
bonds (distance) P-C4' energy: -66.216
flat angles C4'-P-C4' energy: -61.252
flat angles P-C4'-P energy: -51.196
tors. eta vs tors. theta energy: -31.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -616.476075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.476075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.476075 (E_RNA)
where:
Base-Base interactions energy: -355.061
where: short stacking energy: -183.298
Base-Backbone interact. energy: 0.270
local terms energy: -261.685270
where:
bonds (distance) C4'-P energy: -66.229
bonds (distance) P-C4' energy: -61.418
flat angles C4'-P-C4' energy: -71.782
flat angles P-C4'-P energy: -53.956
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: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1560.980878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.980878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.980878 (E_RNA)
where:
Base-Base interactions energy: -1075.530
where: short stacking energy: -464.551
Base-Backbone interact. energy: -0.211
local terms energy: -485.239298
where:
bonds (distance) C4'-P energy: -86.283
bonds (distance) P-C4' energy: -105.232
flat angles C4'-P-C4' energy: -97.597
flat angles P-C4'-P energy: -73.860
tors. eta vs tors. theta energy: -122.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1396.153700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.153700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.153700 (E_RNA)
where:
Base-Base interactions energy: -950.778
where: short stacking energy: -418.510
Base-Backbone interact. energy: -1.805
local terms energy: -443.570403
where:
bonds (distance) C4'-P energy: -89.512
bonds (distance) P-C4' energy: -96.171
flat angles C4'-P-C4' energy: -95.934
flat angles P-C4'-P energy: -52.571
tors. eta vs tors. theta energy: -109.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1396.562324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.562324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.562324 (E_RNA)
where:
Base-Base interactions energy: -950.626
where: short stacking energy: -426.348
Base-Backbone interact. energy: 1.209
local terms energy: -447.144763
where:
bonds (distance) C4'-P energy: -84.958
bonds (distance) P-C4' energy: -81.392
flat angles C4'-P-C4' energy: -103.318
flat angles P-C4'-P energy: -63.834
tors. eta vs tors. theta energy: -113.642
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: 137
Temperature: 1.050000
Total energy: -1331.857393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.857393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.857393 (E_RNA)
where:
Base-Base interactions energy: -906.604
where: short stacking energy: -420.478
Base-Backbone interact. energy: -0.759
local terms energy: -424.494073
where:
bonds (distance) C4'-P energy: -86.671
bonds (distance) P-C4' energy: -82.610
flat angles C4'-P-C4' energy: -92.197
flat angles P-C4'-P energy: -56.246
tors. eta vs tors. theta energy: -106.770
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: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1239.602915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.602915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.602915 (E_RNA)
where:
Base-Base interactions energy: -854.592
where: short stacking energy: -386.778
Base-Backbone interact. energy: -0.455
local terms energy: -384.556573
where:
bonds (distance) C4'-P energy: -77.476
bonds (distance) P-C4' energy: -78.742
flat angles C4'-P-C4' energy: -92.341
flat angles P-C4'-P energy: -42.505
tors. eta vs tors. theta energy: -93.492
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: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1145.600680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.600680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.600680 (E_RNA)
where:
Base-Base interactions energy: -782.949
where: short stacking energy: -355.008
Base-Backbone interact. energy: 2.553
local terms energy: -365.205014
where:
bonds (distance) C4'-P energy: -84.602
bonds (distance) P-C4' energy: -73.053
flat angles C4'-P-C4' energy: -67.267
flat angles P-C4'-P energy: -52.020
tors. eta vs tors. theta energy: -88.263
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: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1004.112654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.112654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.112654 (E_RNA)
where:
Base-Base interactions energy: -631.461
where: short stacking energy: -301.680
Base-Backbone interact. energy: -1.129
local terms energy: -371.522668
where:
bonds (distance) C4'-P energy: -85.051
bonds (distance) P-C4' energy: -69.013
flat angles C4'-P-C4' energy: -82.245
flat angles P-C4'-P energy: -67.832
tors. eta vs tors. theta energy: -67.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -821.247192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.247192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.247192 (E_RNA)
where:
Base-Base interactions energy: -524.971
where: short stacking energy: -251.101
Base-Backbone interact. energy: 0.793
local terms energy: -297.069350
where:
bonds (distance) C4'-P energy: -70.636
bonds (distance) P-C4' energy: -84.245
flat angles C4'-P-C4' energy: -70.880
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -40.515
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: 5
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -717.905470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.905470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.905470 (E_RNA)
where:
Base-Base interactions energy: -442.960
where: short stacking energy: -233.418
Base-Backbone interact. energy: 5.194
local terms energy: -280.139753
where:
bonds (distance) C4'-P energy: -59.756
bonds (distance) P-C4' energy: -83.718
flat angles C4'-P-C4' energy: -54.976
flat angles P-C4'-P energy: -41.810
tors. eta vs tors. theta energy: -39.880
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: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -627.908282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.908282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.908282 (E_RNA)
where:
Base-Base interactions energy: -349.242
where: short stacking energy: -160.322
Base-Backbone interact. energy: 0.557
local terms energy: -279.223726
where:
bonds (distance) C4'-P energy: -81.775
bonds (distance) P-C4' energy: -78.708
flat angles C4'-P-C4' energy: -64.015
flat angles P-C4'-P energy: -43.064
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: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1551.079271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.079271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.079271 (E_RNA)
where:
Base-Base interactions energy: -1096.520
where: short stacking energy: -441.752
Base-Backbone interact. energy: -3.732
local terms energy: -450.826429
where:
bonds (distance) C4'-P energy: -96.464
bonds (distance) P-C4' energy: -86.666
flat angles C4'-P-C4' energy: -98.130
flat angles P-C4'-P energy: -56.284
tors. eta vs tors. theta energy: -113.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1427.341063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.341063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.341063 (E_RNA)
where:
Base-Base interactions energy: -960.489
where: short stacking energy: -412.771
Base-Backbone interact. energy: -2.821
local terms energy: -464.031087
where:
bonds (distance) C4'-P energy: -82.169
bonds (distance) P-C4' energy: -100.884
flat angles C4'-P-C4' energy: -90.812
flat angles P-C4'-P energy: -71.057
tors. eta vs tors. theta energy: -119.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1419.371774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.371774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.371774 (E_RNA)
where:
Base-Base interactions energy: -982.404
where: short stacking energy: -459.119
Base-Backbone interact. energy: -1.252
local terms energy: -435.715107
where:
bonds (distance) C4'-P energy: -66.723
bonds (distance) P-C4' energy: -89.266
flat angles C4'-P-C4' energy: -96.275
flat angles P-C4'-P energy: -62.484
tors. eta vs tors. theta energy: -120.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1307.604317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.604317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.604317 (E_RNA)
where:
Base-Base interactions energy: -902.030
where: short stacking energy: -402.747
Base-Backbone interact. energy: 4.135
local terms energy: -409.709172
where:
bonds (distance) C4'-P energy: -76.926
bonds (distance) P-C4' energy: -77.268
flat angles C4'-P-C4' energy: -97.928
flat angles P-C4'-P energy: -62.050
tors. eta vs tors. theta energy: -95.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1220.756926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.756926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.756926 (E_RNA)
where:
Base-Base interactions energy: -811.246
where: short stacking energy: -375.584
Base-Backbone interact. energy: 1.044
local terms energy: -410.555510
where:
bonds (distance) C4'-P energy: -81.128
bonds (distance) P-C4' energy: -84.525
flat angles C4'-P-C4' energy: -89.601
flat angles P-C4'-P energy: -50.429
tors. eta vs tors. theta energy: -104.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1094.378011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.378011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.378011 (E_RNA)
where:
Base-Base interactions energy: -714.747
where: short stacking energy: -331.618
Base-Backbone interact. energy: -2.403
local terms energy: -377.228246
where:
bonds (distance) C4'-P energy: -79.243
bonds (distance) P-C4' energy: -83.191
flat angles C4'-P-C4' energy: -89.779
flat angles P-C4'-P energy: -48.218
tors. eta vs tors. theta energy: -76.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -992.722224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.722224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.722224 (E_RNA)
where:
Base-Base interactions energy: -642.684
where: short stacking energy: -289.859
Base-Backbone interact. energy: 0.993
local terms energy: -351.030816
where:
bonds (distance) C4'-P energy: -81.061
bonds (distance) P-C4' energy: -75.599
flat angles C4'-P-C4' energy: -84.185
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: -66.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -809.945217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.945217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.945217 (E_RNA)
where:
Base-Base interactions energy: -511.287
where: short stacking energy: -226.510
Base-Backbone interact. energy: -2.085
local terms energy: -296.572284
where:
bonds (distance) C4'-P energy: -75.903
bonds (distance) P-C4' energy: -85.091
flat angles C4'-P-C4' energy: -67.019
flat angles P-C4'-P energy: -30.352
tors. eta vs tors. theta energy: -38.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -739.999719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.999719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.999719 (E_RNA)
where:
Base-Base interactions energy: -442.738
where: short stacking energy: -247.193
Base-Backbone interact. energy: -1.106
local terms energy: -296.155300
where:
bonds (distance) C4'-P energy: -63.677
bonds (distance) P-C4' energy: -68.092
flat angles C4'-P-C4' energy: -65.952
flat angles P-C4'-P energy: -61.717
tors. eta vs tors. theta energy: -36.717
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: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -609.807793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.807793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.807793 (E_RNA)
where:
Base-Base interactions energy: -328.148
where: short stacking energy: -167.102
Base-Backbone interact. energy: 0.306
local terms energy: -281.965730
where:
bonds (distance) C4'-P energy: -72.947
bonds (distance) P-C4' energy: -79.989
flat angles C4'-P-C4' energy: -73.352
flat angles P-C4'-P energy: -40.355
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: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1552.574456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.574456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.574456 (E_RNA)
where:
Base-Base interactions energy: -1073.028
where: short stacking energy: -468.811
Base-Backbone interact. energy: -1.409
local terms energy: -478.136816
where:
bonds (distance) C4'-P energy: -86.138
bonds (distance) P-C4' energy: -97.189
flat angles C4'-P-C4' energy: -101.096
flat angles P-C4'-P energy: -69.188
tors. eta vs tors. theta energy: -124.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1420.114789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.114789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.114789 (E_RNA)
where:
Base-Base interactions energy: -967.507
where: short stacking energy: -423.407
Base-Backbone interact. energy: -1.785
local terms energy: -450.822355
where:
bonds (distance) C4'-P energy: -86.042
bonds (distance) P-C4' energy: -85.728
flat angles C4'-P-C4' energy: -101.432
flat angles P-C4'-P energy: -67.153
tors. eta vs tors. theta energy: -110.468
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: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1390.941315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.941315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.941315 (E_RNA)
where:
Base-Base interactions energy: -947.968
where: short stacking energy: -393.616
Base-Backbone interact. energy: -0.182
local terms energy: -442.791153
where:
bonds (distance) C4'-P energy: -88.128
bonds (distance) P-C4' energy: -83.546
flat angles C4'-P-C4' energy: -93.578
flat angles P-C4'-P energy: -67.141
tors. eta vs tors. theta energy: -110.399
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: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1304.516494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.516494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.516494 (E_RNA)
where:
Base-Base interactions energy: -878.819
where: short stacking energy: -387.051
Base-Backbone interact. energy: -2.552
local terms energy: -423.145369
where:
bonds (distance) C4'-P energy: -79.643
bonds (distance) P-C4' energy: -91.620
flat angles C4'-P-C4' energy: -94.994
flat angles P-C4'-P energy: -57.586
tors. eta vs tors. theta energy: -99.303
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: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1199.757629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.757629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.757629 (E_RNA)
where:
Base-Base interactions energy: -824.740
where: short stacking energy: -365.280
Base-Backbone interact. energy: -2.002
local terms energy: -373.014712
where:
bonds (distance) C4'-P energy: -73.255
bonds (distance) P-C4' energy: -74.632
flat angles C4'-P-C4' energy: -86.186
flat angles P-C4'-P energy: -48.831
tors. eta vs tors. theta energy: -90.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1138.094722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.094722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.094722 (E_RNA)
where:
Base-Base interactions energy: -751.352
where: short stacking energy: -351.367
Base-Backbone interact. energy: -2.093
local terms energy: -384.649028
where:
bonds (distance) C4'-P energy: -87.125
bonds (distance) P-C4' energy: -73.913
flat angles C4'-P-C4' energy: -90.538
flat angles P-C4'-P energy: -44.557
tors. eta vs tors. theta energy: -88.516
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: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -951.824859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.824859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.824859 (E_RNA)
where:
Base-Base interactions energy: -603.413
where: short stacking energy: -298.367
Base-Backbone interact. energy: 0.957
local terms energy: -349.368917
where:
bonds (distance) C4'-P energy: -75.713
bonds (distance) P-C4' energy: -81.699
flat angles C4'-P-C4' energy: -89.104
flat angles P-C4'-P energy: -44.455
tors. eta vs tors. theta energy: -58.398
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: 139
Temperature: 1.250000
Total energy: -865.924598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.924598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.924598 (E_RNA)
where:
Base-Base interactions energy: -537.680
where: short stacking energy: -255.095
Base-Backbone interact. energy: -0.770
local terms energy: -327.475356
where:
bonds (distance) C4'-P energy: -67.893
bonds (distance) P-C4' energy: -73.580
flat angles C4'-P-C4' energy: -86.382
flat angles P-C4'-P energy: -49.794
tors. eta vs tors. theta energy: -49.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -678.581600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.581600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.581600 (E_RNA)
where:
Base-Base interactions energy: -392.550
where: short stacking energy: -208.215
Base-Backbone interact. energy: 0.928
local terms energy: -286.959820
where:
bonds (distance) C4'-P energy: -65.190
bonds (distance) P-C4' energy: -68.967
flat angles C4'-P-C4' energy: -81.464
flat angles P-C4'-P energy: -46.903
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -634.365095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.365095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.365095 (E_RNA)
where:
Base-Base interactions energy: -344.767
where: short stacking energy: -176.397
Base-Backbone interact. energy: 3.493
local terms energy: -293.090672
where:
bonds (distance) C4'-P energy: -76.954
bonds (distance) P-C4' energy: -86.742
flat angles C4'-P-C4' energy: -70.462
flat angles P-C4'-P energy: -41.144
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1538.282199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.282199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.282199 (E_RNA)
where:
Base-Base interactions energy: -1070.151
where: short stacking energy: -432.120
Base-Backbone interact. energy: -3.060
local terms energy: -465.071869
where:
bonds (distance) C4'-P energy: -84.420
bonds (distance) P-C4' energy: -94.348
flat angles C4'-P-C4' energy: -96.708
flat angles P-C4'-P energy: -66.237
tors. eta vs tors. theta energy: -123.357
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: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1416.322934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.322934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.322934 (E_RNA)
where:
Base-Base interactions energy: -972.150
where: short stacking energy: -416.488
Base-Backbone interact. energy: -4.167
local terms energy: -440.006445
where:
bonds (distance) C4'-P energy: -86.676
bonds (distance) P-C4' energy: -89.849
flat angles C4'-P-C4' energy: -97.445
flat angles P-C4'-P energy: -55.887
tors. eta vs tors. theta energy: -110.151
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: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1407.986262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.986262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.986262 (E_RNA)
where:
Base-Base interactions energy: -969.222
where: short stacking energy: -438.517
Base-Backbone interact. energy: -1.724
local terms energy: -437.040830
where:
bonds (distance) C4'-P energy: -71.905
bonds (distance) P-C4' energy: -99.637
flat angles C4'-P-C4' energy: -100.270
flat angles P-C4'-P energy: -66.278
tors. eta vs tors. theta energy: -98.951
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: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1300.209001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.209001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.209001 (E_RNA)
where:
Base-Base interactions energy: -865.461
where: short stacking energy: -390.355
Base-Backbone interact. energy: 0.882
local terms energy: -435.630137
where:
bonds (distance) C4'-P energy: -92.923
bonds (distance) P-C4' energy: -81.974
flat angles C4'-P-C4' energy: -91.098
flat angles P-C4'-P energy: -66.136
tors. eta vs tors. theta energy: -103.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1199.324918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.324918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.324918 (E_RNA)
where:
Base-Base interactions energy: -803.177
where: short stacking energy: -359.950
Base-Backbone interact. energy: 1.796
local terms energy: -397.944205
where:
bonds (distance) C4'-P energy: -87.285
bonds (distance) P-C4' energy: -81.431
flat angles C4'-P-C4' energy: -87.143
flat angles P-C4'-P energy: -52.637
tors. eta vs tors. theta energy: -89.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1175.886399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.886399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.886399 (E_RNA)
where:
Base-Base interactions energy: -782.092
where: short stacking energy: -353.148
Base-Backbone interact. energy: 1.597
local terms energy: -395.390800
where:
bonds (distance) C4'-P energy: -72.472
bonds (distance) P-C4' energy: -94.103
flat angles C4'-P-C4' energy: -91.483
flat angles P-C4'-P energy: -50.987
tors. eta vs tors. theta energy: -86.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1009.912411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.912411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.912411 (E_RNA)
where:
Base-Base interactions energy: -652.383
where: short stacking energy: -281.206
Base-Backbone interact. energy: -0.369
local terms energy: -357.160687
where:
bonds (distance) C4'-P energy: -81.647
bonds (distance) P-C4' energy: -86.314
flat angles C4'-P-C4' energy: -85.689
flat angles P-C4'-P energy: -35.101
tors. eta vs tors. theta energy: -68.408
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: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -806.770037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.770037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.770037 (E_RNA)
where:
Base-Base interactions energy: -512.789
where: short stacking energy: -234.340
Base-Backbone interact. energy: 1.216
local terms energy: -295.197372
where:
bonds (distance) C4'-P energy: -73.921
bonds (distance) P-C4' energy: -68.044
flat angles C4'-P-C4' energy: -77.496
flat angles P-C4'-P energy: -47.094
tors. eta vs tors. theta energy: -28.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -698.674835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.674835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.674835 (E_RNA)
where:
Base-Base interactions energy: -420.029
where: short stacking energy: -204.015
Base-Backbone interact. energy: -2.225
local terms energy: -276.420846
where:
bonds (distance) C4'-P energy: -62.609
bonds (distance) P-C4' energy: -67.340
flat angles C4'-P-C4' energy: -76.598
flat angles P-C4'-P energy: -37.416
tors. eta vs tors. theta energy: -32.459
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: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -613.663604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.663604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.663604 (E_RNA)
where:
Base-Base interactions energy: -355.116
where: short stacking energy: -201.988
Base-Backbone interact. energy: -0.632
local terms energy: -257.915497
where:
bonds (distance) C4'-P energy: -67.127
bonds (distance) P-C4' energy: -65.616
flat angles C4'-P-C4' energy: -59.311
flat angles P-C4'-P energy: -47.047
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1545.813952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.813952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.813952 (E_RNA)
where:
Base-Base interactions energy: -1099.195
where: short stacking energy: -453.475
Base-Backbone interact. energy: -2.607
local terms energy: -444.011759
where:
bonds (distance) C4'-P energy: -90.254
bonds (distance) P-C4' energy: -86.779
flat angles C4'-P-C4' energy: -99.217
flat angles P-C4'-P energy: -52.695
tors. eta vs tors. theta energy: -115.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1447.643913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.643913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.643913 (E_RNA)
where:
Base-Base interactions energy: -1012.765
where: short stacking energy: -430.964
Base-Backbone interact. energy: 0.317
local terms energy: -435.196658
where:
bonds (distance) C4'-P energy: -88.999
bonds (distance) P-C4' energy: -84.102
flat angles C4'-P-C4' energy: -89.794
flat angles P-C4'-P energy: -58.295
tors. eta vs tors. theta energy: -114.007
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: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1402.999152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.999152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.999152 (E_RNA)
where:
Base-Base interactions energy: -950.570
where: short stacking energy: -410.603
Base-Backbone interact. energy: 0.511
local terms energy: -452.939746
where:
bonds (distance) C4'-P energy: -81.876
bonds (distance) P-C4' energy: -91.730
flat angles C4'-P-C4' energy: -109.079
flat angles P-C4'-P energy: -65.321
tors. eta vs tors. theta energy: -104.935
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: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1332.701773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.701773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.701773 (E_RNA)
where:
Base-Base interactions energy: -894.017
where: short stacking energy: -398.137
Base-Backbone interact. energy: -0.763
local terms energy: -437.921664
where:
bonds (distance) C4'-P energy: -78.466
bonds (distance) P-C4' energy: -85.192
flat angles C4'-P-C4' energy: -97.889
flat angles P-C4'-P energy: -67.897
tors. eta vs tors. theta energy: -108.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1254.117131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.117131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.117131 (E_RNA)
where:
Base-Base interactions energy: -818.598
where: short stacking energy: -394.670
Base-Backbone interact. energy: -1.107
local terms energy: -434.412303
where:
bonds (distance) C4'-P energy: -76.655
bonds (distance) P-C4' energy: -79.363
flat angles C4'-P-C4' energy: -96.448
flat angles P-C4'-P energy: -69.536
tors. eta vs tors. theta energy: -112.411
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: 141
Temperature: 1.150000
Total energy: -1074.761713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.761713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.761713 (E_RNA)
where:
Base-Base interactions energy: -702.344
where: short stacking energy: -342.518
Base-Backbone interact. energy: 0.833
local terms energy: -373.250394
where:
bonds (distance) C4'-P energy: -75.718
bonds (distance) P-C4' energy: -90.577
flat angles C4'-P-C4' energy: -76.504
flat angles P-C4'-P energy: -42.845
tors. eta vs tors. theta energy: -87.606
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: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1065.852488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.852488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.852488 (E_RNA)
where:
Base-Base interactions energy: -715.567
where: short stacking energy: -303.195
Base-Backbone interact. energy: -1.627
local terms energy: -348.658746
where:
bonds (distance) C4'-P energy: -73.891
bonds (distance) P-C4' energy: -72.809
flat angles C4'-P-C4' energy: -83.363
flat angles P-C4'-P energy: -57.413
tors. eta vs tors. theta energy: -61.183
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: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -835.015282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.015282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.015282 (E_RNA)
where:
Base-Base interactions energy: -527.979
where: short stacking energy: -240.788
Base-Backbone interact. energy: 0.295
local terms energy: -307.330651
where:
bonds (distance) C4'-P energy: -69.798
bonds (distance) P-C4' energy: -81.096
flat angles C4'-P-C4' energy: -76.021
flat angles P-C4'-P energy: -42.110
tors. eta vs tors. theta energy: -38.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -698.777185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.777185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.777185 (E_RNA)
where:
Base-Base interactions energy: -395.877
where: short stacking energy: -170.969
Base-Backbone interact. energy: 0.862
local terms energy: -303.762756
where:
bonds (distance) C4'-P energy: -80.623
bonds (distance) P-C4' energy: -81.808
flat angles C4'-P-C4' energy: -70.276
flat angles P-C4'-P energy: -40.145
tors. eta vs tors. theta energy: -30.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -621.060642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.060642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.060642 (E_RNA)
where:
Base-Base interactions energy: -360.067
where: short stacking energy: -219.298
Base-Backbone interact. energy: -1.673
local terms energy: -259.320324
where:
bonds (distance) C4'-P energy: -63.875
bonds (distance) P-C4' energy: -71.905
flat angles C4'-P-C4' energy: -55.670
flat angles P-C4'-P energy: -45.014
tors. eta vs tors. theta energy: -22.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1539.751118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.751118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.751118 (E_RNA)
where:
Base-Base interactions energy: -1075.303
where: short stacking energy: -453.993
Base-Backbone interact. energy: -2.022
local terms energy: -462.426297
where:
bonds (distance) C4'-P energy: -85.942
bonds (distance) P-C4' energy: -92.407
flat angles C4'-P-C4' energy: -96.732
flat angles P-C4'-P energy: -62.034
tors. eta vs tors. theta energy: -125.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1448.783494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.783494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.783494 (E_RNA)
where:
Base-Base interactions energy: -979.681
where: short stacking energy: -436.621
Base-Backbone interact. energy: -1.065
local terms energy: -468.038298
where:
bonds (distance) C4'-P energy: -91.464
bonds (distance) P-C4' energy: -90.913
flat angles C4'-P-C4' energy: -94.720
flat angles P-C4'-P energy: -71.727
tors. eta vs tors. theta energy: -119.215
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: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1369.216327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.216327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.216327 (E_RNA)
where:
Base-Base interactions energy: -935.542
where: short stacking energy: -416.352
Base-Backbone interact. energy: 3.520
local terms energy: -437.194814
where:
bonds (distance) C4'-P energy: -77.499
bonds (distance) P-C4' energy: -87.987
flat angles C4'-P-C4' energy: -95.165
flat angles P-C4'-P energy: -68.023
tors. eta vs tors. theta energy: -108.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1316.657903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.657903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.657903 (E_RNA)
where:
Base-Base interactions energy: -881.784
where: short stacking energy: -420.282
Base-Backbone interact. energy: 3.748
local terms energy: -438.621212
where:
bonds (distance) C4'-P energy: -84.238
bonds (distance) P-C4' energy: -88.134
flat angles C4'-P-C4' energy: -99.132
flat angles P-C4'-P energy: -57.843
tors. eta vs tors. theta energy: -109.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1270.781848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.781848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.781848 (E_RNA)
where:
Base-Base interactions energy: -856.770
where: short stacking energy: -386.665
Base-Backbone interact. energy: 2.267
local terms energy: -416.278646
where:
bonds (distance) C4'-P energy: -77.522
bonds (distance) P-C4' energy: -96.988
flat angles C4'-P-C4' energy: -88.367
flat angles P-C4'-P energy: -61.049
tors. eta vs tors. theta energy: -92.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1066.410449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.410449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.410449 (E_RNA)
where:
Base-Base interactions energy: -690.984
where: short stacking energy: -322.093
Base-Backbone interact. energy: 1.762
local terms energy: -377.188331
where:
bonds (distance) C4'-P energy: -86.689
bonds (distance) P-C4' energy: -81.244
flat angles C4'-P-C4' energy: -85.788
flat angles P-C4'-P energy: -56.161
tors. eta vs tors. theta energy: -67.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1068.635552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.635552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.635552 (E_RNA)
where:
Base-Base interactions energy: -694.847
where: short stacking energy: -281.320
Base-Backbone interact. energy: 0.548
local terms energy: -374.337071
where:
bonds (distance) C4'-P energy: -81.896
bonds (distance) P-C4' energy: -80.450
flat angles C4'-P-C4' energy: -86.943
flat angles P-C4'-P energy: -62.381
tors. eta vs tors. theta energy: -62.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -814.770111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.770111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.770111 (E_RNA)
where:
Base-Base interactions energy: -497.411
where: short stacking energy: -228.553
Base-Backbone interact. energy: -1.430
local terms energy: -315.928726
where:
bonds (distance) C4'-P energy: -73.545
bonds (distance) P-C4' energy: -74.045
flat angles C4'-P-C4' energy: -78.898
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -49.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -674.728762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.728762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.728762 (E_RNA)
where:
Base-Base interactions energy: -389.757
where: short stacking energy: -182.536
Base-Backbone interact. energy: -0.550
local terms energy: -284.422266
where:
bonds (distance) C4'-P energy: -78.591
bonds (distance) P-C4' energy: -90.239
flat angles C4'-P-C4' energy: -77.078
flat angles P-C4'-P energy: -28.338
tors. eta vs tors. theta energy: -10.176
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: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -603.841723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.841723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.841723 (E_RNA)
where:
Base-Base interactions energy: -314.418
where: short stacking energy: -170.925
Base-Backbone interact. energy: 2.363
local terms energy: -291.786248
where:
bonds (distance) C4'-P energy: -65.081
bonds (distance) P-C4' energy: -89.063
flat angles C4'-P-C4' energy: -74.519
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: -28.030
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: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1553.460744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.460744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.460744 (E_RNA)
where:
Base-Base interactions energy: -1072.371
where: short stacking energy: -468.148
Base-Backbone interact. energy: -1.992
local terms energy: -479.097768
where:
bonds (distance) C4'-P energy: -93.571
bonds (distance) P-C4' energy: -82.334
flat angles C4'-P-C4' energy: -97.332
flat angles P-C4'-P energy: -74.563
tors. eta vs tors. theta energy: -131.298
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: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1492.579058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.579058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.579058 (E_RNA)
where:
Base-Base interactions energy: -1011.908
where: short stacking energy: -448.897
Base-Backbone interact. energy: -1.432
local terms energy: -479.239608
where:
bonds (distance) C4'-P energy: -91.834
bonds (distance) P-C4' energy: -95.841
flat angles C4'-P-C4' energy: -103.103
flat angles P-C4'-P energy: -67.027
tors. eta vs tors. theta energy: -121.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1381.585190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.585190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.585190 (E_RNA)
where:
Base-Base interactions energy: -927.660
where: short stacking energy: -386.601
Base-Backbone interact. energy: -1.212
local terms energy: -452.713300
where:
bonds (distance) C4'-P energy: -90.847
bonds (distance) P-C4' energy: -92.778
flat angles C4'-P-C4' energy: -99.077
flat angles P-C4'-P energy: -62.487
tors. eta vs tors. theta energy: -107.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1281.079075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.079075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.079075 (E_RNA)
where:
Base-Base interactions energy: -838.798
where: short stacking energy: -387.050
Base-Backbone interact. energy: -1.523
local terms energy: -440.757398
where:
bonds (distance) C4'-P energy: -96.829
bonds (distance) P-C4' energy: -85.459
flat angles C4'-P-C4' energy: -106.281
flat angles P-C4'-P energy: -46.003
tors. eta vs tors. theta energy: -106.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1204.247454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.247454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.247454 (E_RNA)
where:
Base-Base interactions energy: -795.669
where: short stacking energy: -348.945
Base-Backbone interact. energy: -0.577
local terms energy: -408.001353
where:
bonds (distance) C4'-P energy: -80.304
bonds (distance) P-C4' energy: -81.437
flat angles C4'-P-C4' energy: -99.719
flat angles P-C4'-P energy: -67.706
tors. eta vs tors. theta energy: -78.835
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: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1078.587879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.587879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.587879 (E_RNA)
where:
Base-Base interactions energy: -724.132
where: short stacking energy: -321.622
Base-Backbone interact. energy: -2.262
local terms energy: -352.192979
where:
bonds (distance) C4'-P energy: -69.879
bonds (distance) P-C4' energy: -82.582
flat angles C4'-P-C4' energy: -79.817
flat angles P-C4'-P energy: -48.744
tors. eta vs tors. theta energy: -71.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1012.570453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.570453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.570453 (E_RNA)
where:
Base-Base interactions energy: -668.314
where: short stacking energy: -299.409
Base-Backbone interact. energy: -1.347
local terms energy: -342.909374
where:
bonds (distance) C4'-P energy: -74.592
bonds (distance) P-C4' energy: -83.712
flat angles C4'-P-C4' energy: -91.589
flat angles P-C4'-P energy: -25.093
tors. eta vs tors. theta energy: -67.924
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: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -811.833618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.833618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.833618 (E_RNA)
where:
Base-Base interactions energy: -516.955
where: short stacking energy: -232.740
Base-Backbone interact. energy: 1.118
local terms energy: -295.996981
where:
bonds (distance) C4'-P energy: -76.459
bonds (distance) P-C4' energy: -84.447
flat angles C4'-P-C4' energy: -67.871
flat angles P-C4'-P energy: -35.378
tors. eta vs tors. theta energy: -31.843
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: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -736.136909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.136909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.136909 (E_RNA)
where:
Base-Base interactions energy: -415.883
where: short stacking energy: -209.137
Base-Backbone interact. energy: 1.290
local terms energy: -321.543708
where:
bonds (distance) C4'-P energy: -81.298
bonds (distance) P-C4' energy: -81.977
flat angles C4'-P-C4' energy: -76.985
flat angles P-C4'-P energy: -53.156
tors. eta vs tors. theta energy: -28.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -578.851895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.851895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.851895 (E_RNA)
where:
Base-Base interactions energy: -353.461
where: short stacking energy: -170.749
Base-Backbone interact. energy: 1.183
local terms energy: -226.573833
where:
bonds (distance) C4'-P energy: -65.851
bonds (distance) P-C4' energy: -78.392
flat angles C4'-P-C4' energy: -47.901
flat angles P-C4'-P energy: -30.488
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1527.792681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.792681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.792681 (E_RNA)
where:
Base-Base interactions energy: -1068.647
where: short stacking energy: -445.211
Base-Backbone interact. energy: -3.218
local terms energy: -455.927098
where:
bonds (distance) C4'-P energy: -86.345
bonds (distance) P-C4' energy: -85.317
flat angles C4'-P-C4' energy: -98.527
flat angles P-C4'-P energy: -55.547
tors. eta vs tors. theta energy: -130.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1473.917568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.917568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.917568 (E_RNA)
where:
Base-Base interactions energy: -1006.748
where: short stacking energy: -439.144
Base-Backbone interact. energy: -2.938
local terms energy: -464.231521
where:
bonds (distance) C4'-P energy: -97.023
bonds (distance) P-C4' energy: -86.145
flat angles C4'-P-C4' energy: -102.936
flat angles P-C4'-P energy: -62.412
tors. eta vs tors. theta energy: -115.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1376.610384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.610384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.610384 (E_RNA)
where:
Base-Base interactions energy: -959.573
where: short stacking energy: -408.405
Base-Backbone interact. energy: -1.457
local terms energy: -415.580197
where:
bonds (distance) C4'-P energy: -73.731
bonds (distance) P-C4' energy: -87.602
flat angles C4'-P-C4' energy: -93.794
flat angles P-C4'-P energy: -55.353
tors. eta vs tors. theta energy: -105.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1271.957536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.957536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.957536 (E_RNA)
where:
Base-Base interactions energy: -847.767
where: short stacking energy: -378.529
Base-Backbone interact. energy: -2.089
local terms energy: -422.102067
where:
bonds (distance) C4'-P energy: -75.758
bonds (distance) P-C4' energy: -91.738
flat angles C4'-P-C4' energy: -93.188
flat angles P-C4'-P energy: -62.501
tors. eta vs tors. theta energy: -98.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1237.442754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.442754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.442754 (E_RNA)
where:
Base-Base interactions energy: -806.560
where: short stacking energy: -368.245
Base-Backbone interact. energy: -0.789
local terms energy: -430.093152
where:
bonds (distance) C4'-P energy: -81.562
bonds (distance) P-C4' energy: -96.093
flat angles C4'-P-C4' energy: -97.378
flat angles P-C4'-P energy: -56.513
tors. eta vs tors. theta energy: -98.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1096.578848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.578848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.578848 (E_RNA)
where:
Base-Base interactions energy: -716.988
where: short stacking energy: -319.668
Base-Backbone interact. energy: -1.396
local terms energy: -378.195314
where:
bonds (distance) C4'-P energy: -83.418
bonds (distance) P-C4' energy: -86.075
flat angles C4'-P-C4' energy: -90.810
flat angles P-C4'-P energy: -49.208
tors. eta vs tors. theta energy: -68.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1001.670841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.670841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.670841 (E_RNA)
where:
Base-Base interactions energy: -649.345
where: short stacking energy: -293.872
Base-Backbone interact. energy: 2.040
local terms energy: -354.365764
where:
bonds (distance) C4'-P energy: -69.672
bonds (distance) P-C4' energy: -80.784
flat angles C4'-P-C4' energy: -77.949
flat angles P-C4'-P energy: -54.339
tors. eta vs tors. theta energy: -71.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -846.311672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.311672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.311672 (E_RNA)
where:
Base-Base interactions energy: -543.225
where: short stacking energy: -253.280
Base-Backbone interact. energy: -0.691
local terms energy: -302.395681
where:
bonds (distance) C4'-P energy: -69.480
bonds (distance) P-C4' energy: -72.105
flat angles C4'-P-C4' energy: -77.517
flat angles P-C4'-P energy: -49.488
tors. eta vs tors. theta energy: -33.806
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: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -761.926214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.926214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.926214 (E_RNA)
where:
Base-Base interactions energy: -432.465
where: short stacking energy: -207.531
Base-Backbone interact. energy: -1.454
local terms energy: -328.007015
where:
bonds (distance) C4'-P energy: -77.753
bonds (distance) P-C4' energy: -83.908
flat angles C4'-P-C4' energy: -75.123
flat angles P-C4'-P energy: -52.589
tors. eta vs tors. theta energy: -38.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -596.409455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.409455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.409455 (E_RNA)
where:
Base-Base interactions energy: -322.061
where: short stacking energy: -157.227
Base-Backbone interact. energy: -0.902
local terms energy: -273.446079
where:
bonds (distance) C4'-P energy: -69.104
bonds (distance) P-C4' energy: -67.070
flat angles C4'-P-C4' energy: -80.919
flat angles P-C4'-P energy: -49.643
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: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1558.622726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.622726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.622726 (E_RNA)
where:
Base-Base interactions energy: -1097.190
where: short stacking energy: -477.906
Base-Backbone interact. energy: -2.748
local terms energy: -458.684696
where:
bonds (distance) C4'-P energy: -85.216
bonds (distance) P-C4' energy: -94.618
flat angles C4'-P-C4' energy: -94.877
flat angles P-C4'-P energy: -58.172
tors. eta vs tors. theta energy: -125.801
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: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1497.097388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.097388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.097388 (E_RNA)
where:
Base-Base interactions energy: -1044.893
where: short stacking energy: -464.240
Base-Backbone interact. energy: -1.518
local terms energy: -450.686566
where:
bonds (distance) C4'-P energy: -85.315
bonds (distance) P-C4' energy: -82.048
flat angles C4'-P-C4' energy: -94.321
flat angles P-C4'-P energy: -71.285
tors. eta vs tors. theta energy: -117.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1386.618066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.618066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.618066 (E_RNA)
where:
Base-Base interactions energy: -936.134
where: short stacking energy: -435.878
Base-Backbone interact. energy: -2.160
local terms energy: -448.324329
where:
bonds (distance) C4'-P energy: -83.791
bonds (distance) P-C4' energy: -81.654
flat angles C4'-P-C4' energy: -106.556
flat angles P-C4'-P energy: -56.065
tors. eta vs tors. theta energy: -120.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1275.526872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.526872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.526872 (E_RNA)
where:
Base-Base interactions energy: -829.701
where: short stacking energy: -390.108
Base-Backbone interact. energy: -1.440
local terms energy: -444.386215
where:
bonds (distance) C4'-P energy: -94.341
bonds (distance) P-C4' energy: -86.584
flat angles C4'-P-C4' energy: -89.333
flat angles P-C4'-P energy: -70.781
tors. eta vs tors. theta energy: -103.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1219.272901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.272901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.272901 (E_RNA)
where:
Base-Base interactions energy: -814.441
where: short stacking energy: -355.523
Base-Backbone interact. energy: -2.076
local terms energy: -402.755831
where:
bonds (distance) C4'-P energy: -89.191
bonds (distance) P-C4' energy: -89.002
flat angles C4'-P-C4' energy: -81.064
flat angles P-C4'-P energy: -60.918
tors. eta vs tors. theta energy: -82.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1073.537295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.537295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.537295 (E_RNA)
where:
Base-Base interactions energy: -725.515
where: short stacking energy: -324.291
Base-Backbone interact. energy: 2.220
local terms energy: -350.242652
where:
bonds (distance) C4'-P energy: -73.854
bonds (distance) P-C4' energy: -81.574
flat angles C4'-P-C4' energy: -70.642
flat angles P-C4'-P energy: -48.967
tors. eta vs tors. theta energy: -75.205
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: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1034.515121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.515121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.515121 (E_RNA)
where:
Base-Base interactions energy: -658.875
where: short stacking energy: -306.193
Base-Backbone interact. energy: -0.900
local terms energy: -374.739462
where:
bonds (distance) C4'-P energy: -94.878
bonds (distance) P-C4' energy: -79.796
flat angles C4'-P-C4' energy: -80.576
flat angles P-C4'-P energy: -48.330
tors. eta vs tors. theta energy: -71.160
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: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -914.348153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.348153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.348153 (E_RNA)
where:
Base-Base interactions energy: -549.916
where: short stacking energy: -266.934
Base-Backbone interact. energy: -1.045
local terms energy: -363.387585
where:
bonds (distance) C4'-P energy: -95.804
bonds (distance) P-C4' energy: -87.433
flat angles C4'-P-C4' energy: -68.171
flat angles P-C4'-P energy: -58.325
tors. eta vs tors. theta energy: -53.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -688.427120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.427120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.427120 (E_RNA)
where:
Base-Base interactions energy: -402.613
where: short stacking energy: -194.474
Base-Backbone interact. energy: 2.894
local terms energy: -288.707982
where:
bonds (distance) C4'-P energy: -74.661
bonds (distance) P-C4' energy: -83.094
flat angles C4'-P-C4' energy: -79.960
flat angles P-C4'-P energy: -36.239
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -598.172137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.172137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.172137 (E_RNA)
where:
Base-Base interactions energy: -318.205
where: short stacking energy: -177.773
Base-Backbone interact. energy: 3.327
local terms energy: -283.294007
where:
bonds (distance) C4'-P energy: -62.837
bonds (distance) P-C4' energy: -81.015
flat angles C4'-P-C4' energy: -65.600
flat angles P-C4'-P energy: -46.841
tors. eta vs tors. theta energy: -27.001
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: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1557.103965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.103965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.103965 (E_RNA)
where:
Base-Base interactions energy: -1076.382
where: short stacking energy: -480.999
Base-Backbone interact. energy: -0.184
local terms energy: -480.537201
where:
bonds (distance) C4'-P energy: -77.253
bonds (distance) P-C4' energy: -102.809
flat angles C4'-P-C4' energy: -97.689
flat angles P-C4'-P energy: -66.897
tors. eta vs tors. theta energy: -135.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1492.841841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.841841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.841841 (E_RNA)
where:
Base-Base interactions energy: -1034.872
where: short stacking energy: -459.195
Base-Backbone interact. energy: 0.167
local terms energy: -458.136515
where:
bonds (distance) C4'-P energy: -81.301
bonds (distance) P-C4' energy: -86.306
flat angles C4'-P-C4' energy: -105.921
flat angles P-C4'-P energy: -62.486
tors. eta vs tors. theta energy: -122.124
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: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1388.929359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.929359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.929359 (E_RNA)
where:
Base-Base interactions energy: -954.642
where: short stacking energy: -426.967
Base-Backbone interact. energy: -1.971
local terms energy: -432.316466
where:
bonds (distance) C4'-P energy: -75.945
bonds (distance) P-C4' energy: -73.717
flat angles C4'-P-C4' energy: -96.266
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: -122.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1245.298582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.298582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.298582 (E_RNA)
where:
Base-Base interactions energy: -819.225
where: short stacking energy: -384.538
Base-Backbone interact. energy: -2.254
local terms energy: -423.820126
where:
bonds (distance) C4'-P energy: -80.539
bonds (distance) P-C4' energy: -90.892
flat angles C4'-P-C4' energy: -101.026
flat angles P-C4'-P energy: -63.677
tors. eta vs tors. theta energy: -87.686
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: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1226.512298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.512298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.512298 (E_RNA)
where:
Base-Base interactions energy: -821.689
where: short stacking energy: -404.604
Base-Backbone interact. energy: 4.795
local terms energy: -409.618683
where:
bonds (distance) C4'-P energy: -80.299
bonds (distance) P-C4' energy: -80.351
flat angles C4'-P-C4' energy: -95.658
flat angles P-C4'-P energy: -54.570
tors. eta vs tors. theta energy: -98.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1071.678914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.678914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.678914 (E_RNA)
where:
Base-Base interactions energy: -701.794
where: short stacking energy: -342.429
Base-Backbone interact. energy: -1.313
local terms energy: -368.572517
where:
bonds (distance) C4'-P energy: -75.016
bonds (distance) P-C4' energy: -82.791
flat angles C4'-P-C4' energy: -79.957
flat angles P-C4'-P energy: -48.489
tors. eta vs tors. theta energy: -82.320
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: 146
Temperature: 1.200000
Total energy: -1010.996355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.996355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.996355 (E_RNA)
where:
Base-Base interactions energy: -655.310
where: short stacking energy: -291.122
Base-Backbone interact. energy: 0.304
local terms energy: -355.989440
where:
bonds (distance) C4'-P energy: -74.821
bonds (distance) P-C4' energy: -85.096
flat angles C4'-P-C4' energy: -72.470
flat angles P-C4'-P energy: -59.786
tors. eta vs tors. theta energy: -63.816
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: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -882.357745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.357745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.357745 (E_RNA)
where:
Base-Base interactions energy: -552.820
where: short stacking energy: -251.021
Base-Backbone interact. energy: -2.040
local terms energy: -327.497843
where:
bonds (distance) C4'-P energy: -83.016
bonds (distance) P-C4' energy: -77.576
flat angles C4'-P-C4' energy: -83.001
flat angles P-C4'-P energy: -40.656
tors. eta vs tors. theta energy: -43.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -753.347423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.347423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.347423 (E_RNA)
where:
Base-Base interactions energy: -453.957
where: short stacking energy: -220.587
Base-Backbone interact. energy: -0.057
local terms energy: -299.333275
where:
bonds (distance) C4'-P energy: -64.418
bonds (distance) P-C4' energy: -81.966
flat angles C4'-P-C4' energy: -64.902
flat angles P-C4'-P energy: -49.459
tors. eta vs tors. theta energy: -38.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -566.840329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.840329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.840329 (E_RNA)
where:
Base-Base interactions energy: -292.784
where: short stacking energy: -162.079
Base-Backbone interact. energy: -1.563
local terms energy: -272.493012
where:
bonds (distance) C4'-P energy: -77.147
bonds (distance) P-C4' energy: -70.397
flat angles C4'-P-C4' energy: -82.544
flat angles P-C4'-P energy: -31.614
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: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1560.877941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.877941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.877941 (E_RNA)
where:
Base-Base interactions energy: -1085.287
where: short stacking energy: -470.382
Base-Backbone interact. energy: 0.189
local terms energy: -475.779766
where:
bonds (distance) C4'-P energy: -95.966
bonds (distance) P-C4' energy: -86.670
flat angles C4'-P-C4' energy: -100.194
flat angles P-C4'-P energy: -70.956
tors. eta vs tors. theta energy: -121.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1476.860015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.860015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.860015 (E_RNA)
where:
Base-Base interactions energy: -982.648
where: short stacking energy: -436.403
Base-Backbone interact. energy: -0.870
local terms energy: -493.342191
where:
bonds (distance) C4'-P energy: -94.854
bonds (distance) P-C4' energy: -100.136
flat angles C4'-P-C4' energy: -105.336
flat angles P-C4'-P energy: -74.885
tors. eta vs tors. theta energy: -118.130
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: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1411.387822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.387822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.387822 (E_RNA)
where:
Base-Base interactions energy: -962.848
where: short stacking energy: -444.992
Base-Backbone interact. energy: -1.048
local terms energy: -447.492434
where:
bonds (distance) C4'-P energy: -79.439
bonds (distance) P-C4' energy: -94.059
flat angles C4'-P-C4' energy: -91.801
flat angles P-C4'-P energy: -62.908
tors. eta vs tors. theta energy: -119.285
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: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1258.020967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.020967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.020967 (E_RNA)
where:
Base-Base interactions energy: -844.534
where: short stacking energy: -375.033
Base-Backbone interact. energy: -1.135
local terms energy: -412.351689
where:
bonds (distance) C4'-P energy: -80.548
bonds (distance) P-C4' energy: -88.839
flat angles C4'-P-C4' energy: -94.423
flat angles P-C4'-P energy: -61.118
tors. eta vs tors. theta energy: -87.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1237.211027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.211027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.211027 (E_RNA)
where:
Base-Base interactions energy: -840.320
where: short stacking energy: -374.895
Base-Backbone interact. energy: 7.802
local terms energy: -404.693124
where:
bonds (distance) C4'-P energy: -80.409
bonds (distance) P-C4' energy: -87.908
flat angles C4'-P-C4' energy: -90.970
flat angles P-C4'-P energy: -54.131
tors. eta vs tors. theta energy: -91.276
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: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1057.585195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.585195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.585195 (E_RNA)
where:
Base-Base interactions energy: -696.969
where: short stacking energy: -328.167
Base-Backbone interact. energy: 1.489
local terms energy: -362.105504
where:
bonds (distance) C4'-P energy: -65.329
bonds (distance) P-C4' energy: -71.657
flat angles C4'-P-C4' energy: -86.005
flat angles P-C4'-P energy: -62.237
tors. eta vs tors. theta energy: -76.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1040.263702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.263702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.263702 (E_RNA)
where:
Base-Base interactions energy: -658.494
where: short stacking energy: -297.206
Base-Backbone interact. energy: -0.457
local terms energy: -381.312617
where:
bonds (distance) C4'-P energy: -83.705
bonds (distance) P-C4' energy: -86.062
flat angles C4'-P-C4' energy: -79.610
flat angles P-C4'-P energy: -52.465
tors. eta vs tors. theta energy: -79.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -925.085657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.085657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.085657 (E_RNA)
where:
Base-Base interactions energy: -612.283
where: short stacking energy: -283.481
Base-Backbone interact. energy: 0.592
local terms energy: -313.394818
where:
bonds (distance) C4'-P energy: -60.035
bonds (distance) P-C4' energy: -66.058
flat angles C4'-P-C4' energy: -86.126
flat angles P-C4'-P energy: -52.544
tors. eta vs tors. theta energy: -48.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -746.319442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.319442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.319442 (E_RNA)
where:
Base-Base interactions energy: -422.582
where: short stacking energy: -196.187
Base-Backbone interact. energy: 0.538
local terms energy: -324.274871
where:
bonds (distance) C4'-P energy: -86.134
bonds (distance) P-C4' energy: -82.772
flat angles C4'-P-C4' energy: -69.978
flat angles P-C4'-P energy: -52.241
tors. eta vs tors. theta energy: -33.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -631.812468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.812468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.812468 (E_RNA)
where:
Base-Base interactions energy: -366.100
where: short stacking energy: -165.856
Base-Backbone interact. energy: 6.405
local terms energy: -272.116878
where:
bonds (distance) C4'-P energy: -66.358
bonds (distance) P-C4' energy: -78.630
flat angles C4'-P-C4' energy: -77.524
flat angles P-C4'-P energy: -36.639
tors. eta vs tors. theta energy: -12.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1586.848904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.848904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.848904 (E_RNA)
where:
Base-Base interactions energy: -1104.229
where: short stacking energy: -495.643
Base-Backbone interact. energy: -2.202
local terms energy: -480.417873
where:
bonds (distance) C4'-P energy: -94.882
bonds (distance) P-C4' energy: -91.657
flat angles C4'-P-C4' energy: -110.056
flat angles P-C4'-P energy: -57.423
tors. eta vs tors. theta energy: -126.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1460.239100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.239100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.239100 (E_RNA)
where:
Base-Base interactions energy: -1003.999
where: short stacking energy: -436.428
Base-Backbone interact. energy: 1.741
local terms energy: -457.980789
where:
bonds (distance) C4'-P energy: -94.829
bonds (distance) P-C4' energy: -83.361
flat angles C4'-P-C4' energy: -104.000
flat angles P-C4'-P energy: -60.764
tors. eta vs tors. theta energy: -115.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1404.764663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.764663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.764663 (E_RNA)
where:
Base-Base interactions energy: -949.789
where: short stacking energy: -431.614
Base-Backbone interact. energy: -0.879
local terms energy: -454.096180
where:
bonds (distance) C4'-P energy: -83.336
bonds (distance) P-C4' energy: -83.182
flat angles C4'-P-C4' energy: -103.487
flat angles P-C4'-P energy: -70.136
tors. eta vs tors. theta energy: -113.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1264.066334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.066334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.066334 (E_RNA)
where:
Base-Base interactions energy: -832.459
where: short stacking energy: -388.790
Base-Backbone interact. energy: -2.086
local terms energy: -429.521647
where:
bonds (distance) C4'-P energy: -86.758
bonds (distance) P-C4' energy: -96.981
flat angles C4'-P-C4' energy: -89.694
flat angles P-C4'-P energy: -53.669
tors. eta vs tors. theta energy: -102.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1226.321848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.321848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.321848 (E_RNA)
where:
Base-Base interactions energy: -834.487
where: short stacking energy: -384.067
Base-Backbone interact. energy: 9.183
local terms energy: -401.017785
where:
bonds (distance) C4'-P energy: -67.721
bonds (distance) P-C4' energy: -84.604
flat angles C4'-P-C4' energy: -92.279
flat angles P-C4'-P energy: -61.992
tors. eta vs tors. theta energy: -94.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1086.548822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.548822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.548822 (E_RNA)
where:
Base-Base interactions energy: -730.855
where: short stacking energy: -327.960
Base-Backbone interact. energy: -0.947
local terms energy: -354.746013
where:
bonds (distance) C4'-P energy: -74.265
bonds (distance) P-C4' energy: -79.030
flat angles C4'-P-C4' energy: -72.627
flat angles P-C4'-P energy: -56.927
tors. eta vs tors. theta energy: -71.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1007.758196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.758196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.758196 (E_RNA)
where:
Base-Base interactions energy: -647.970
where: short stacking energy: -293.761
Base-Backbone interact. energy: -1.154
local terms energy: -358.634086
where:
bonds (distance) C4'-P energy: -82.147
bonds (distance) P-C4' energy: -73.998
flat angles C4'-P-C4' energy: -78.964
flat angles P-C4'-P energy: -58.234
tors. eta vs tors. theta energy: -65.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -875.373978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.373978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.373978 (E_RNA)
where:
Base-Base interactions energy: -547.381
where: short stacking energy: -246.022
Base-Backbone interact. energy: -2.667
local terms energy: -325.325673
where:
bonds (distance) C4'-P energy: -74.407
bonds (distance) P-C4' energy: -64.758
flat angles C4'-P-C4' energy: -86.067
flat angles P-C4'-P energy: -53.996
tors. eta vs tors. theta energy: -46.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -724.377245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.377245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.377245 (E_RNA)
where:
Base-Base interactions energy: -452.689
where: short stacking energy: -213.333
Base-Backbone interact. energy: 3.509
local terms energy: -275.197175
where:
bonds (distance) C4'-P energy: -67.519
bonds (distance) P-C4' energy: -78.109
flat angles C4'-P-C4' energy: -64.982
flat angles P-C4'-P energy: -46.909
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: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -613.238281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.238281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.238281 (E_RNA)
where:
Base-Base interactions energy: -367.265
where: short stacking energy: -153.674
Base-Backbone interact. energy: -2.083
local terms energy: -243.890840
where:
bonds (distance) C4'-P energy: -75.546
bonds (distance) P-C4' energy: -86.639
flat angles C4'-P-C4' energy: -53.695
flat angles P-C4'-P energy: -35.592
tors. eta vs tors. theta energy: 7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1566.029466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.029466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.029466 (E_RNA)
where:
Base-Base interactions energy: -1087.975
where: short stacking energy: -470.856
Base-Backbone interact. energy: 0.754
local terms energy: -478.807919
where:
bonds (distance) C4'-P energy: -84.386
bonds (distance) P-C4' energy: -89.715
flat angles C4'-P-C4' energy: -103.927
flat angles P-C4'-P energy: -72.887
tors. eta vs tors. theta energy: -127.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1440.986496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.986496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.986496 (E_RNA)
where:
Base-Base interactions energy: -975.620
where: short stacking energy: -432.523
Base-Backbone interact. energy: 0.556
local terms energy: -465.922602
where:
bonds (distance) C4'-P energy: -92.168
bonds (distance) P-C4' energy: -82.310
flat angles C4'-P-C4' energy: -98.744
flat angles P-C4'-P energy: -72.176
tors. eta vs tors. theta energy: -120.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1437.145408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.145408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.145408 (E_RNA)
where:
Base-Base interactions energy: -967.085
where: short stacking energy: -421.647
Base-Backbone interact. energy: -0.644
local terms energy: -469.416323
where:
bonds (distance) C4'-P energy: -90.370
bonds (distance) P-C4' energy: -104.213
flat angles C4'-P-C4' energy: -107.830
flat angles P-C4'-P energy: -56.613
tors. eta vs tors. theta energy: -110.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1325.311455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.311455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.311455 (E_RNA)
where:
Base-Base interactions energy: -885.530
where: short stacking energy: -402.810
Base-Backbone interact. energy: -0.707
local terms energy: -439.074786
where:
bonds (distance) C4'-P energy: -82.513
bonds (distance) P-C4' energy: -90.422
flat angles C4'-P-C4' energy: -97.359
flat angles P-C4'-P energy: -59.664
tors. eta vs tors. theta energy: -109.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1229.963994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.963994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.963994 (E_RNA)
where:
Base-Base interactions energy: -823.450
where: short stacking energy: -378.784
Base-Backbone interact. energy: 0.603
local terms energy: -407.116337
where:
bonds (distance) C4'-P energy: -74.676
bonds (distance) P-C4' energy: -89.193
flat angles C4'-P-C4' energy: -96.943
flat angles P-C4'-P energy: -54.823
tors. eta vs tors. theta energy: -91.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1072.380885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.380885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.380885 (E_RNA)
where:
Base-Base interactions energy: -692.577
where: short stacking energy: -314.428
Base-Backbone interact. energy: -1.444
local terms energy: -378.360060
where:
bonds (distance) C4'-P energy: -75.199
bonds (distance) P-C4' energy: -89.806
flat angles C4'-P-C4' energy: -90.593
flat angles P-C4'-P energy: -57.773
tors. eta vs tors. theta energy: -64.988
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: 7, replica: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -979.345928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.345928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.345928 (E_RNA)
where:
Base-Base interactions energy: -643.712
where: short stacking energy: -281.381
Base-Backbone interact. energy: -0.817
local terms energy: -334.817323
where:
bonds (distance) C4'-P energy: -66.438
bonds (distance) P-C4' energy: -72.771
flat angles C4'-P-C4' energy: -79.858
flat angles P-C4'-P energy: -55.453
tors. eta vs tors. theta energy: -60.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -931.380759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.380759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.380759 (E_RNA)
where:
Base-Base interactions energy: -620.378
where: short stacking energy: -258.853
Base-Backbone interact. energy: 0.740
local terms energy: -311.742335
where:
bonds (distance) C4'-P energy: -71.280
bonds (distance) P-C4' energy: -78.915
flat angles C4'-P-C4' energy: -65.098
flat angles P-C4'-P energy: -50.200
tors. eta vs tors. theta energy: -46.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -745.600117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.600117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.600117 (E_RNA)
where:
Base-Base interactions energy: -434.503
where: short stacking energy: -204.534
Base-Backbone interact. energy: -1.816
local terms energy: -309.281000
where:
bonds (distance) C4'-P energy: -81.192
bonds (distance) P-C4' energy: -78.829
flat angles C4'-P-C4' energy: -77.642
flat angles P-C4'-P energy: -51.363
tors. eta vs tors. theta energy: -20.256
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: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -608.057596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.057596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.057596 (E_RNA)
where:
Base-Base interactions energy: -331.614
where: short stacking energy: -161.977
Base-Backbone interact. energy: 0.334
local terms energy: -276.778302
where:
bonds (distance) C4'-P energy: -81.426
bonds (distance) P-C4' energy: -99.167
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -35.960
tors. eta vs tors. theta energy: 2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1585.254778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.254778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.254778 (E_RNA)
where:
Base-Base interactions energy: -1098.235
where: short stacking energy: -465.310
Base-Backbone interact. energy: -3.097
local terms energy: -483.923017
where:
bonds (distance) C4'-P energy: -98.536
bonds (distance) P-C4' energy: -90.114
flat angles C4'-P-C4' energy: -101.046
flat angles P-C4'-P energy: -69.639
tors. eta vs tors. theta energy: -124.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1458.157761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.157761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.157761 (E_RNA)
where:
Base-Base interactions energy: -978.819
where: short stacking energy: -441.524
Base-Backbone interact. energy: -1.291
local terms energy: -478.047613
where:
bonds (distance) C4'-P energy: -83.080
bonds (distance) P-C4' energy: -96.395
flat angles C4'-P-C4' energy: -95.289
flat angles P-C4'-P energy: -74.265
tors. eta vs tors. theta energy: -129.019
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: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1429.500514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.500514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.500514 (E_RNA)
where:
Base-Base interactions energy: -1012.219
where: short stacking energy: -452.079
Base-Backbone interact. energy: 1.297
local terms energy: -418.578319
where:
bonds (distance) C4'-P energy: -78.016
bonds (distance) P-C4' energy: -69.565
flat angles C4'-P-C4' energy: -88.028
flat angles P-C4'-P energy: -68.720
tors. eta vs tors. theta energy: -114.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1311.853882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.853882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.853882 (E_RNA)
where:
Base-Base interactions energy: -878.916
where: short stacking energy: -397.624
Base-Backbone interact. energy: 1.358
local terms energy: -434.295995
where:
bonds (distance) C4'-P energy: -75.549
bonds (distance) P-C4' energy: -88.508
flat angles C4'-P-C4' energy: -91.831
flat angles P-C4'-P energy: -69.708
tors. eta vs tors. theta energy: -108.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1243.392573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.392573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.392573 (E_RNA)
where:
Base-Base interactions energy: -845.921
where: short stacking energy: -351.397
Base-Backbone interact. energy: 3.214
local terms energy: -400.685479
where:
bonds (distance) C4'-P energy: -87.440
bonds (distance) P-C4' energy: -73.496
flat angles C4'-P-C4' energy: -86.060
flat angles P-C4'-P energy: -64.565
tors. eta vs tors. theta energy: -89.124
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: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1072.985924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.985924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.985924 (E_RNA)
where:
Base-Base interactions energy: -678.023
where: short stacking energy: -336.472
Base-Backbone interact. energy: 1.750
local terms energy: -396.712934
where:
bonds (distance) C4'-P energy: -90.170
bonds (distance) P-C4' energy: -84.690
flat angles C4'-P-C4' energy: -75.186
flat angles P-C4'-P energy: -69.224
tors. eta vs tors. theta energy: -77.444
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: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -970.344136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.344136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.344136 (E_RNA)
where:
Base-Base interactions energy: -605.128
where: short stacking energy: -274.633
Base-Backbone interact. energy: -2.546
local terms energy: -362.669533
where:
bonds (distance) C4'-P energy: -78.641
bonds (distance) P-C4' energy: -85.810
flat angles C4'-P-C4' energy: -70.172
flat angles P-C4'-P energy: -59.190
tors. eta vs tors. theta energy: -68.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -938.023690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.023690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.023690 (E_RNA)
where:
Base-Base interactions energy: -621.763
where: short stacking energy: -272.819
Base-Backbone interact. energy: 1.896
local terms energy: -318.156791
where:
bonds (distance) C4'-P energy: -60.075
bonds (distance) P-C4' energy: -61.997
flat angles C4'-P-C4' energy: -88.152
flat angles P-C4'-P energy: -48.049
tors. eta vs tors. theta energy: -59.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -784.089048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.089048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.089048 (E_RNA)
where:
Base-Base interactions energy: -496.796
where: short stacking energy: -217.902
Base-Backbone interact. energy: -0.464
local terms energy: -286.828811
where:
bonds (distance) C4'-P energy: -81.103
bonds (distance) P-C4' energy: -75.779
flat angles C4'-P-C4' energy: -70.952
flat angles P-C4'-P energy: -35.800
tors. eta vs tors. theta energy: -23.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -624.534422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.534422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.534422 (E_RNA)
where:
Base-Base interactions energy: -361.551
where: short stacking energy: -195.128
Base-Backbone interact. energy: -1.317
local terms energy: -261.666305
where:
bonds (distance) C4'-P energy: -70.823
bonds (distance) P-C4' energy: -67.528
flat angles C4'-P-C4' energy: -61.017
flat angles P-C4'-P energy: -35.475
tors. eta vs tors. theta energy: -26.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1560.317691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.317691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.317691 (E_RNA)
where:
Base-Base interactions energy: -1084.701
where: short stacking energy: -466.766
Base-Backbone interact. energy: -3.392
local terms energy: -472.224310
where:
bonds (distance) C4'-P energy: -84.455
bonds (distance) P-C4' energy: -82.371
flat angles C4'-P-C4' energy: -105.649
flat angles P-C4'-P energy: -75.031
tors. eta vs tors. theta energy: -124.718
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: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1456.796072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.796072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.796072 (E_RNA)
where:
Base-Base interactions energy: -967.008
where: short stacking energy: -448.637
Base-Backbone interact. energy: -2.018
local terms energy: -487.769807
where:
bonds (distance) C4'-P energy: -93.523
bonds (distance) P-C4' energy: -94.075
flat angles C4'-P-C4' energy: -100.198
flat angles P-C4'-P energy: -67.120
tors. eta vs tors. theta energy: -132.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1423.282675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.282675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.282675 (E_RNA)
where:
Base-Base interactions energy: -989.374
where: short stacking energy: -421.415
Base-Backbone interact. energy: 1.760
local terms energy: -435.669251
where:
bonds (distance) C4'-P energy: -71.725
bonds (distance) P-C4' energy: -85.753
flat angles C4'-P-C4' energy: -99.896
flat angles P-C4'-P energy: -68.094
tors. eta vs tors. theta energy: -110.200
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: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1311.295867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.295867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.295867 (E_RNA)
where:
Base-Base interactions energy: -853.407
where: short stacking energy: -385.327
Base-Backbone interact. energy: -1.555
local terms energy: -456.334189
where:
bonds (distance) C4'-P energy: -86.977
bonds (distance) P-C4' energy: -103.344
flat angles C4'-P-C4' energy: -93.316
flat angles P-C4'-P energy: -64.586
tors. eta vs tors. theta energy: -108.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1263.379141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.379141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.379141 (E_RNA)
where:
Base-Base interactions energy: -879.322
where: short stacking energy: -368.692
Base-Backbone interact. energy: 0.695
local terms energy: -384.752516
where:
bonds (distance) C4'-P energy: -60.688
bonds (distance) P-C4' energy: -80.430
flat angles C4'-P-C4' energy: -79.081
flat angles P-C4'-P energy: -59.829
tors. eta vs tors. theta energy: -104.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1090.308437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.308437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.308437 (E_RNA)
where:
Base-Base interactions energy: -731.208
where: short stacking energy: -341.225
Base-Backbone interact. energy: -1.197
local terms energy: -357.903489
where:
bonds (distance) C4'-P energy: -66.584
bonds (distance) P-C4' energy: -90.979
flat angles C4'-P-C4' energy: -89.466
flat angles P-C4'-P energy: -43.160
tors. eta vs tors. theta energy: -67.714
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: 151
Temperature: 1.200000
Total energy: -1046.649348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.649348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.649348 (E_RNA)
where:
Base-Base interactions energy: -682.006
where: short stacking energy: -338.726
Base-Backbone interact. energy: 2.023
local terms energy: -366.667113
where:
bonds (distance) C4'-P energy: -73.366
bonds (distance) P-C4' energy: -68.219
flat angles C4'-P-C4' energy: -74.731
flat angles P-C4'-P energy: -65.647
tors. eta vs tors. theta energy: -84.704
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: 151
Temperature: 1.250000
Total energy: -854.451534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.451534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.451534 (E_RNA)
where:
Base-Base interactions energy: -516.833
where: short stacking energy: -272.283
Base-Backbone interact. energy: 4.492
local terms energy: -342.110521
where:
bonds (distance) C4'-P energy: -80.921
bonds (distance) P-C4' energy: -88.040
flat angles C4'-P-C4' energy: -79.088
flat angles P-C4'-P energy: -40.836
tors. eta vs tors. theta energy: -53.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -824.873130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.873130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.873130 (E_RNA)
where:
Base-Base interactions energy: -521.093
where: short stacking energy: -224.370
Base-Backbone interact. energy: 4.649
local terms energy: -308.428918
where:
bonds (distance) C4'-P energy: -76.534
bonds (distance) P-C4' energy: -79.173
flat angles C4'-P-C4' energy: -73.133
flat angles P-C4'-P energy: -43.611
tors. eta vs tors. theta energy: -35.978
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: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -619.297906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.297906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.297906 (E_RNA)
where:
Base-Base interactions energy: -342.956
where: short stacking energy: -173.867
Base-Backbone interact. energy: -1.929
local terms energy: -274.413106
where:
bonds (distance) C4'-P energy: -78.583
bonds (distance) P-C4' energy: -78.512
flat angles C4'-P-C4' energy: -80.375
flat angles P-C4'-P energy: -31.633
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: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1554.359716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.359716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.359716 (E_RNA)
where:
Base-Base interactions energy: -1100.157
where: short stacking energy: -460.167
Base-Backbone interact. energy: -0.839
local terms energy: -453.363742
where:
bonds (distance) C4'-P energy: -88.598
bonds (distance) P-C4' energy: -88.513
flat angles C4'-P-C4' energy: -97.124
flat angles P-C4'-P energy: -64.895
tors. eta vs tors. theta energy: -114.233
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: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1433.552871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.552871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.552871 (E_RNA)
where:
Base-Base interactions energy: -992.586
where: short stacking energy: -459.435
Base-Backbone interact. energy: -3.354
local terms energy: -437.612867
where:
bonds (distance) C4'-P energy: -82.785
bonds (distance) P-C4' energy: -80.197
flat angles C4'-P-C4' energy: -98.710
flat angles P-C4'-P energy: -61.301
tors. eta vs tors. theta energy: -114.620
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: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1411.662262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.662262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.662262 (E_RNA)
where:
Base-Base interactions energy: -966.236
where: short stacking energy: -443.924
Base-Backbone interact. energy: -0.544
local terms energy: -444.881768
where:
bonds (distance) C4'-P energy: -82.879
bonds (distance) P-C4' energy: -73.919
flat angles C4'-P-C4' energy: -103.127
flat angles P-C4'-P energy: -68.667
tors. eta vs tors. theta energy: -116.290
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: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1281.989075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.989075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.989075 (E_RNA)
where:
Base-Base interactions energy: -854.930
where: short stacking energy: -397.489
Base-Backbone interact. energy: 5.793
local terms energy: -432.852059
where:
bonds (distance) C4'-P energy: -88.832
bonds (distance) P-C4' energy: -81.173
flat angles C4'-P-C4' energy: -84.287
flat angles P-C4'-P energy: -65.536
tors. eta vs tors. theta energy: -113.024
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: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1262.378921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.378921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.378921 (E_RNA)
where:
Base-Base interactions energy: -857.455
where: short stacking energy: -393.789
Base-Backbone interact. energy: 1.223
local terms energy: -406.146257
where:
bonds (distance) C4'-P energy: -83.477
bonds (distance) P-C4' energy: -90.356
flat angles C4'-P-C4' energy: -88.907
flat angles P-C4'-P energy: -46.847
tors. eta vs tors. theta energy: -96.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1094.239395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.239395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.239395 (E_RNA)
where:
Base-Base interactions energy: -696.043
where: short stacking energy: -317.820
Base-Backbone interact. energy: -1.870
local terms energy: -396.327040
where:
bonds (distance) C4'-P energy: -81.134
bonds (distance) P-C4' energy: -92.989
flat angles C4'-P-C4' energy: -91.006
flat angles P-C4'-P energy: -53.155
tors. eta vs tors. theta energy: -78.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1116.840279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.840279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.840279 (E_RNA)
where:
Base-Base interactions energy: -731.894
where: short stacking energy: -319.137
Base-Backbone interact. energy: -3.823
local terms energy: -381.123372
where:
bonds (distance) C4'-P energy: -77.322
bonds (distance) P-C4' energy: -82.299
flat angles C4'-P-C4' energy: -94.018
flat angles P-C4'-P energy: -49.717
tors. eta vs tors. theta energy: -77.767
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: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -872.207396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.207396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.207396 (E_RNA)
where:
Base-Base interactions energy: -540.890
where: short stacking energy: -255.440
Base-Backbone interact. energy: -1.570
local terms energy: -329.747258
where:
bonds (distance) C4'-P energy: -62.889
bonds (distance) P-C4' energy: -85.190
flat angles C4'-P-C4' energy: -75.948
flat angles P-C4'-P energy: -51.130
tors. eta vs tors. theta energy: -54.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -818.923973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.923973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.923973 (E_RNA)
where:
Base-Base interactions energy: -505.991
where: short stacking energy: -240.511
Base-Backbone interact. energy: 1.923
local terms energy: -314.856145
where:
bonds (distance) C4'-P energy: -74.115
bonds (distance) P-C4' energy: -82.219
flat angles C4'-P-C4' energy: -83.677
flat angles P-C4'-P energy: -37.307
tors. eta vs tors. theta energy: -37.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -637.530488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.530488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.530488 (E_RNA)
where:
Base-Base interactions energy: -354.387
where: short stacking energy: -188.358
Base-Backbone interact. energy: -1.417
local terms energy: -281.727178
where:
bonds (distance) C4'-P energy: -77.520
bonds (distance) P-C4' energy: -81.059
flat angles C4'-P-C4' energy: -71.238
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1558.512851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.512851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.512851 (E_RNA)
where:
Base-Base interactions energy: -1064.344
where: short stacking energy: -446.819
Base-Backbone interact. energy: -0.603
local terms energy: -493.565213
where:
bonds (distance) C4'-P energy: -83.150
bonds (distance) P-C4' energy: -97.541
flat angles C4'-P-C4' energy: -110.428
flat angles P-C4'-P energy: -74.436
tors. eta vs tors. theta energy: -128.012
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: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1469.682911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.682911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.682911 (E_RNA)
where:
Base-Base interactions energy: -990.079
where: short stacking energy: -428.380
Base-Backbone interact. energy: 0.555
local terms energy: -480.158242
where:
bonds (distance) C4'-P energy: -89.833
bonds (distance) P-C4' energy: -97.042
flat angles C4'-P-C4' energy: -100.218
flat angles P-C4'-P energy: -68.319
tors. eta vs tors. theta energy: -124.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1371.307557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.307557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.307557 (E_RNA)
where:
Base-Base interactions energy: -922.061
where: short stacking energy: -403.311
Base-Backbone interact. energy: -0.263
local terms energy: -448.983179
where:
bonds (distance) C4'-P energy: -92.369
bonds (distance) P-C4' energy: -89.247
flat angles C4'-P-C4' energy: -94.724
flat angles P-C4'-P energy: -61.827
tors. eta vs tors. theta energy: -110.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1328.305868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.305868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.305868 (E_RNA)
where:
Base-Base interactions energy: -900.536
where: short stacking energy: -399.845
Base-Backbone interact. energy: -1.778
local terms energy: -425.992114
where:
bonds (distance) C4'-P energy: -88.819
bonds (distance) P-C4' energy: -88.596
flat angles C4'-P-C4' energy: -98.258
flat angles P-C4'-P energy: -56.430
tors. eta vs tors. theta energy: -93.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1266.154991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.154991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.154991 (E_RNA)
where:
Base-Base interactions energy: -844.275
where: short stacking energy: -392.825
Base-Backbone interact. energy: 0.112
local terms energy: -421.991996
where:
bonds (distance) C4'-P energy: -72.597
bonds (distance) P-C4' energy: -83.217
flat angles C4'-P-C4' energy: -100.407
flat angles P-C4'-P energy: -59.679
tors. eta vs tors. theta energy: -106.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1083.740112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.740112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.740112 (E_RNA)
where:
Base-Base interactions energy: -696.588
where: short stacking energy: -323.396
Base-Backbone interact. energy: -0.799
local terms energy: -386.352971
where:
bonds (distance) C4'-P energy: -83.720
bonds (distance) P-C4' energy: -71.108
flat angles C4'-P-C4' energy: -89.474
flat angles P-C4'-P energy: -62.502
tors. eta vs tors. theta energy: -79.549
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: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1064.634516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.634516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.634516 (E_RNA)
where:
Base-Base interactions energy: -713.209
where: short stacking energy: -284.816
Base-Backbone interact. energy: -3.613
local terms energy: -347.812281
where:
bonds (distance) C4'-P energy: -63.669
bonds (distance) P-C4' energy: -77.165
flat angles C4'-P-C4' energy: -83.056
flat angles P-C4'-P energy: -65.484
tors. eta vs tors. theta energy: -58.438
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: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -863.608885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.608885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.608885 (E_RNA)
where:
Base-Base interactions energy: -532.755
where: short stacking energy: -244.597
Base-Backbone interact. energy: -1.858
local terms energy: -328.995835
where:
bonds (distance) C4'-P energy: -72.349
bonds (distance) P-C4' energy: -92.924
flat angles C4'-P-C4' energy: -85.304
flat angles P-C4'-P energy: -38.565
tors. eta vs tors. theta energy: -39.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -819.657423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.657423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.657423 (E_RNA)
where:
Base-Base interactions energy: -542.251
where: short stacking energy: -272.280
Base-Backbone interact. energy: -2.673
local terms energy: -274.732684
where:
bonds (distance) C4'-P energy: -73.166
bonds (distance) P-C4' energy: -49.442
flat angles C4'-P-C4' energy: -63.097
flat angles P-C4'-P energy: -44.375
tors. eta vs tors. theta energy: -44.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -579.739848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.739848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.739848 (E_RNA)
where:
Base-Base interactions energy: -357.719
where: short stacking energy: -191.891
Base-Backbone interact. energy: 0.219
local terms energy: -222.239554
where:
bonds (distance) C4'-P energy: -50.412
bonds (distance) P-C4' energy: -63.426
flat angles C4'-P-C4' energy: -61.013
flat angles P-C4'-P energy: -41.800
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1539.602228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.602228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.602228 (E_RNA)
where:
Base-Base interactions energy: -1088.180
where: short stacking energy: -471.501
Base-Backbone interact. energy: -1.447
local terms energy: -449.974436
where:
bonds (distance) C4'-P energy: -77.670
bonds (distance) P-C4' energy: -87.656
flat angles C4'-P-C4' energy: -105.332
flat angles P-C4'-P energy: -57.243
tors. eta vs tors. theta energy: -122.074
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: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1486.521678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.521678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.521678 (E_RNA)
where:
Base-Base interactions energy: -1021.233
where: short stacking energy: -460.755
Base-Backbone interact. energy: 1.696
local terms energy: -466.984202
where:
bonds (distance) C4'-P energy: -88.803
bonds (distance) P-C4' energy: -74.555
flat angles C4'-P-C4' energy: -107.385
flat angles P-C4'-P energy: -68.307
tors. eta vs tors. theta energy: -127.934
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: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1364.621777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.621777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.621777 (E_RNA)
where:
Base-Base interactions energy: -910.381
where: short stacking energy: -414.779
Base-Backbone interact. energy: -1.721
local terms energy: -452.519564
where:
bonds (distance) C4'-P energy: -81.265
bonds (distance) P-C4' energy: -96.389
flat angles C4'-P-C4' energy: -105.955
flat angles P-C4'-P energy: -71.171
tors. eta vs tors. theta energy: -97.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1325.134134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.134134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.134134 (E_RNA)
where:
Base-Base interactions energy: -895.156
where: short stacking energy: -390.678
Base-Backbone interact. energy: -5.836
local terms energy: -424.141808
where:
bonds (distance) C4'-P energy: -86.588
bonds (distance) P-C4' energy: -97.752
flat angles C4'-P-C4' energy: -78.403
flat angles P-C4'-P energy: -61.335
tors. eta vs tors. theta energy: -100.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1240.518465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.518465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.518465 (E_RNA)
where:
Base-Base interactions energy: -818.341
where: short stacking energy: -366.455
Base-Backbone interact. energy: 0.101
local terms energy: -422.278461
where:
bonds (distance) C4'-P energy: -86.740
bonds (distance) P-C4' energy: -87.189
flat angles C4'-P-C4' energy: -97.821
flat angles P-C4'-P energy: -47.778
tors. eta vs tors. theta energy: -102.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1100.692536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.692536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.692536 (E_RNA)
where:
Base-Base interactions energy: -747.928
where: short stacking energy: -326.094
Base-Backbone interact. energy: 0.329
local terms energy: -353.092914
where:
bonds (distance) C4'-P energy: -79.639
bonds (distance) P-C4' energy: -68.291
flat angles C4'-P-C4' energy: -72.562
flat angles P-C4'-P energy: -47.465
tors. eta vs tors. theta energy: -85.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1091.121774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.121774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.121774 (E_RNA)
where:
Base-Base interactions energy: -726.355
where: short stacking energy: -308.148
Base-Backbone interact. energy: 1.721
local terms energy: -366.488429
where:
bonds (distance) C4'-P energy: -87.053
bonds (distance) P-C4' energy: -71.832
flat angles C4'-P-C4' energy: -86.727
flat angles P-C4'-P energy: -53.122
tors. eta vs tors. theta energy: -67.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -854.571019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.571019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.571019 (E_RNA)
where:
Base-Base interactions energy: -541.704
where: short stacking energy: -251.183
Base-Backbone interact. energy: -3.708
local terms energy: -309.159029
where:
bonds (distance) C4'-P energy: -72.401
bonds (distance) P-C4' energy: -68.646
flat angles C4'-P-C4' energy: -78.356
flat angles P-C4'-P energy: -39.815
tors. eta vs tors. theta energy: -49.941
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: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -799.020014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.020014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.020014 (E_RNA)
where:
Base-Base interactions energy: -496.324
where: short stacking energy: -233.343
Base-Backbone interact. energy: 1.257
local terms energy: -303.953549
where:
bonds (distance) C4'-P energy: -88.228
bonds (distance) P-C4' energy: -76.014
flat angles C4'-P-C4' energy: -67.885
flat angles P-C4'-P energy: -38.774
tors. eta vs tors. theta energy: -33.052
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: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -564.944680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.944680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.944680 (E_RNA)
where:
Base-Base interactions energy: -324.112
where: short stacking energy: -164.620
Base-Backbone interact. energy: -0.319
local terms energy: -240.513182
where:
bonds (distance) C4'-P energy: -68.432
bonds (distance) P-C4' energy: -60.392
flat angles C4'-P-C4' energy: -64.080
flat angles P-C4'-P energy: -46.170
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: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1561.499232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.499232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.499232 (E_RNA)
where:
Base-Base interactions energy: -1065.524
where: short stacking energy: -428.699
Base-Backbone interact. energy: -1.644
local terms energy: -494.331622
where:
bonds (distance) C4'-P energy: -96.629
bonds (distance) P-C4' energy: -94.581
flat angles C4'-P-C4' energy: -105.076
flat angles P-C4'-P energy: -71.431
tors. eta vs tors. theta energy: -126.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1471.786312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.786312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.786312 (E_RNA)
where:
Base-Base interactions energy: -997.747
where: short stacking energy: -442.970
Base-Backbone interact. energy: -1.813
local terms energy: -472.226153
where:
bonds (distance) C4'-P energy: -84.538
bonds (distance) P-C4' energy: -84.180
flat angles C4'-P-C4' energy: -104.856
flat angles P-C4'-P energy: -71.088
tors. eta vs tors. theta energy: -127.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1379.921862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.921862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.921862 (E_RNA)
where:
Base-Base interactions energy: -950.642
where: short stacking energy: -418.612
Base-Backbone interact. energy: -0.958
local terms energy: -428.321892
where:
bonds (distance) C4'-P energy: -75.633
bonds (distance) P-C4' energy: -84.200
flat angles C4'-P-C4' energy: -101.847
flat angles P-C4'-P energy: -58.655
tors. eta vs tors. theta energy: -107.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1368.164668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.164668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.164668 (E_RNA)
where:
Base-Base interactions energy: -925.924
where: short stacking energy: -411.756
Base-Backbone interact. energy: 0.971
local terms energy: -443.212412
where:
bonds (distance) C4'-P energy: -76.425
bonds (distance) P-C4' energy: -86.696
flat angles C4'-P-C4' energy: -103.893
flat angles P-C4'-P energy: -60.244
tors. eta vs tors. theta energy: -115.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1256.475696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.475696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.475696 (E_RNA)
where:
Base-Base interactions energy: -825.316
where: short stacking energy: -380.861
Base-Backbone interact. energy: -2.688
local terms energy: -428.471323
where:
bonds (distance) C4'-P energy: -81.494
bonds (distance) P-C4' energy: -78.012
flat angles C4'-P-C4' energy: -103.150
flat angles P-C4'-P energy: -62.919
tors. eta vs tors. theta energy: -102.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1076.382927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.382927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.382927 (E_RNA)
where:
Base-Base interactions energy: -682.678
where: short stacking energy: -312.389
Base-Backbone interact. energy: 0.388
local terms energy: -394.092651
where:
bonds (distance) C4'-P energy: -88.761
bonds (distance) P-C4' energy: -88.548
flat angles C4'-P-C4' energy: -86.966
flat angles P-C4'-P energy: -53.885
tors. eta vs tors. theta energy: -75.932
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: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1090.603120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.603120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.603120 (E_RNA)
where:
Base-Base interactions energy: -744.484
where: short stacking energy: -338.489
Base-Backbone interact. energy: 5.944
local terms energy: -352.063426
where:
bonds (distance) C4'-P energy: -67.322
bonds (distance) P-C4' energy: -89.251
flat angles C4'-P-C4' energy: -79.021
flat angles P-C4'-P energy: -47.478
tors. eta vs tors. theta energy: -68.992
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: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -843.675880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.675880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.675880 (E_RNA)
where:
Base-Base interactions energy: -547.919
where: short stacking energy: -242.224
Base-Backbone interact. energy: -1.883
local terms energy: -293.873625
where:
bonds (distance) C4'-P energy: -77.411
bonds (distance) P-C4' energy: -71.986
flat angles C4'-P-C4' energy: -68.391
flat angles P-C4'-P energy: -37.684
tors. eta vs tors. theta energy: -38.401
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: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -802.201600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.201600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.201600 (E_RNA)
where:
Base-Base interactions energy: -486.556
where: short stacking energy: -236.927
Base-Backbone interact. energy: -0.173
local terms energy: -315.472023
where:
bonds (distance) C4'-P energy: -68.602
bonds (distance) P-C4' energy: -80.436
flat angles C4'-P-C4' energy: -79.513
flat angles P-C4'-P energy: -48.595
tors. eta vs tors. theta energy: -38.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -603.675045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.675045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.675045 (E_RNA)
where:
Base-Base interactions energy: -356.658
where: short stacking energy: -193.490
Base-Backbone interact. energy: 0.871
local terms energy: -247.888183
where:
bonds (distance) C4'-P energy: -55.656
bonds (distance) P-C4' energy: -74.417
flat angles C4'-P-C4' energy: -65.357
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1555.464822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.464822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.464822 (E_RNA)
where:
Base-Base interactions energy: -1065.428
where: short stacking energy: -456.846
Base-Backbone interact. energy: -2.811
local terms energy: -487.226430
where:
bonds (distance) C4'-P energy: -93.209
bonds (distance) P-C4' energy: -94.729
flat angles C4'-P-C4' energy: -104.185
flat angles P-C4'-P energy: -66.492
tors. eta vs tors. theta energy: -128.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1505.571739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.571739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.571739 (E_RNA)
where:
Base-Base interactions energy: -1028.466
where: short stacking energy: -465.275
Base-Backbone interact. energy: 0.508
local terms energy: -477.614077
where:
bonds (distance) C4'-P energy: -95.195
bonds (distance) P-C4' energy: -99.545
flat angles C4'-P-C4' energy: -96.204
flat angles P-C4'-P energy: -59.718
tors. eta vs tors. theta energy: -126.952
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: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1422.671576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.671576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.671576 (E_RNA)
where:
Base-Base interactions energy: -972.997
where: short stacking energy: -444.535
Base-Backbone interact. energy: -1.223
local terms energy: -448.451875
where:
bonds (distance) C4'-P energy: -91.637
bonds (distance) P-C4' energy: -80.958
flat angles C4'-P-C4' energy: -103.378
flat angles P-C4'-P energy: -61.409
tors. eta vs tors. theta energy: -111.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1316.652843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.652843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.652843 (E_RNA)
where:
Base-Base interactions energy: -867.212
where: short stacking energy: -394.052
Base-Backbone interact. energy: -2.264
local terms energy: -447.176374
where:
bonds (distance) C4'-P energy: -91.929
bonds (distance) P-C4' energy: -102.040
flat angles C4'-P-C4' energy: -85.515
flat angles P-C4'-P energy: -61.399
tors. eta vs tors. theta energy: -106.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1264.564106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.564106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.564106 (E_RNA)
where:
Base-Base interactions energy: -835.839
where: short stacking energy: -375.347
Base-Backbone interact. energy: -0.620
local terms energy: -428.104533
where:
bonds (distance) C4'-P energy: -86.039
bonds (distance) P-C4' energy: -85.974
flat angles C4'-P-C4' energy: -93.904
flat angles P-C4'-P energy: -57.273
tors. eta vs tors. theta energy: -104.914
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: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1119.549060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.549060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.549060 (E_RNA)
where:
Base-Base interactions energy: -737.356
where: short stacking energy: -322.403
Base-Backbone interact. energy: 0.261
local terms energy: -382.453840
where:
bonds (distance) C4'-P energy: -76.058
bonds (distance) P-C4' energy: -76.840
flat angles C4'-P-C4' energy: -97.053
flat angles P-C4'-P energy: -64.191
tors. eta vs tors. theta energy: -68.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1121.326594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.326594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.326594 (E_RNA)
where:
Base-Base interactions energy: -734.641
where: short stacking energy: -324.279
Base-Backbone interact. energy: 1.136
local terms energy: -387.821417
where:
bonds (distance) C4'-P energy: -81.290
bonds (distance) P-C4' energy: -84.240
flat angles C4'-P-C4' energy: -81.676
flat angles P-C4'-P energy: -61.061
tors. eta vs tors. theta energy: -79.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -898.743314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.743314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.743314 (E_RNA)
where:
Base-Base interactions energy: -541.068
where: short stacking energy: -248.704
Base-Backbone interact. energy: -4.253
local terms energy: -353.422842
where:
bonds (distance) C4'-P energy: -74.330
bonds (distance) P-C4' energy: -84.119
flat angles C4'-P-C4' energy: -95.747
flat angles P-C4'-P energy: -48.567
tors. eta vs tors. theta energy: -50.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -637.560750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.560750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.560750 (E_RNA)
where:
Base-Base interactions energy: -336.984
where: short stacking energy: -185.196
Base-Backbone interact. energy: 2.724
local terms energy: -303.300545
where:
bonds (distance) C4'-P energy: -73.582
bonds (distance) P-C4' energy: -70.398
flat angles C4'-P-C4' energy: -82.045
flat angles P-C4'-P energy: -48.550
tors. eta vs tors. theta energy: -28.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -657.701138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.701138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.701138 (E_RNA)
where:
Base-Base interactions energy: -391.813
where: short stacking energy: -190.938
Base-Backbone interact. energy: -0.396
local terms energy: -265.491993
where:
bonds (distance) C4'-P energy: -72.601
bonds (distance) P-C4' energy: -75.758
flat angles C4'-P-C4' energy: -58.593
flat angles P-C4'-P energy: -30.709
tors. eta vs tors. theta energy: -27.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1536.705173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.705173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.705173 (E_RNA)
where:
Base-Base interactions energy: -1073.382
where: short stacking energy: -470.410
Base-Backbone interact. energy: -1.132
local terms energy: -462.191705
where:
bonds (distance) C4'-P energy: -86.411
bonds (distance) P-C4' energy: -80.887
flat angles C4'-P-C4' energy: -99.678
flat angles P-C4'-P energy: -71.917
tors. eta vs tors. theta energy: -123.298
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: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1505.839190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.839190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.839190 (E_RNA)
where:
Base-Base interactions energy: -1011.346
where: short stacking energy: -461.672
Base-Backbone interact. energy: -1.335
local terms energy: -493.159002
where:
bonds (distance) C4'-P energy: -92.840
bonds (distance) P-C4' energy: -98.373
flat angles C4'-P-C4' energy: -106.165
flat angles P-C4'-P energy: -69.916
tors. eta vs tors. theta energy: -125.866
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: 157
Temperature: 1.000000
Total energy: -1434.783460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.783460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.783460 (E_RNA)
where:
Base-Base interactions energy: -973.844
where: short stacking energy: -431.537
Base-Backbone interact. energy: -2.367
local terms energy: -458.572845
where:
bonds (distance) C4'-P energy: -78.903
bonds (distance) P-C4' energy: -92.005
flat angles C4'-P-C4' energy: -98.895
flat angles P-C4'-P energy: -66.675
tors. eta vs tors. theta energy: -122.095
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: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1288.849763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.849763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.849763 (E_RNA)
where:
Base-Base interactions energy: -891.379
where: short stacking energy: -362.985
Base-Backbone interact. energy: 0.172
local terms energy: -397.642379
where:
bonds (distance) C4'-P energy: -80.820
bonds (distance) P-C4' energy: -85.980
flat angles C4'-P-C4' energy: -91.265
flat angles P-C4'-P energy: -48.218
tors. eta vs tors. theta energy: -91.360
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: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1262.503744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.503744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.503744 (E_RNA)
where:
Base-Base interactions energy: -824.578
where: short stacking energy: -366.099
Base-Backbone interact. energy: 0.514
local terms energy: -438.440183
where:
bonds (distance) C4'-P energy: -92.572
bonds (distance) P-C4' energy: -82.096
flat angles C4'-P-C4' energy: -100.801
flat angles P-C4'-P energy: -54.975
tors. eta vs tors. theta energy: -107.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1115.741699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.741699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.741699 (E_RNA)
where:
Base-Base interactions energy: -727.900
where: short stacking energy: -325.577
Base-Backbone interact. energy: 1.371
local terms energy: -389.212124
where:
bonds (distance) C4'-P energy: -90.569
bonds (distance) P-C4' energy: -85.766
flat angles C4'-P-C4' energy: -89.116
flat angles P-C4'-P energy: -52.037
tors. eta vs tors. theta energy: -71.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1087.277116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.277116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.277116 (E_RNA)
where:
Base-Base interactions energy: -724.212
where: short stacking energy: -308.772
Base-Backbone interact. energy: -1.484
local terms energy: -361.580744
where:
bonds (distance) C4'-P energy: -74.317
bonds (distance) P-C4' energy: -86.378
flat angles C4'-P-C4' energy: -74.154
flat angles P-C4'-P energy: -51.165
tors. eta vs tors. theta energy: -75.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -874.734810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.734810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.734810 (E_RNA)
where:
Base-Base interactions energy: -559.999
where: short stacking energy: -254.221
Base-Backbone interact. energy: 0.568
local terms energy: -315.303968
where:
bonds (distance) C4'-P energy: -75.491
bonds (distance) P-C4' energy: -58.692
flat angles C4'-P-C4' energy: -91.142
flat angles P-C4'-P energy: -44.277
tors. eta vs tors. theta energy: -45.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -612.665644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.665644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.665644 (E_RNA)
where:
Base-Base interactions energy: -327.559
where: short stacking energy: -193.849
Base-Backbone interact. energy: 5.351
local terms energy: -290.458123
where:
bonds (distance) C4'-P energy: -63.452
bonds (distance) P-C4' energy: -93.506
flat angles C4'-P-C4' energy: -57.569
flat angles P-C4'-P energy: -45.141
tors. eta vs tors. theta energy: -30.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -698.781838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.781838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.781838 (E_RNA)
where:
Base-Base interactions energy: -417.526
where: short stacking energy: -175.868
Base-Backbone interact. energy: -1.899
local terms energy: -279.356711
where:
bonds (distance) C4'-P energy: -67.964
bonds (distance) P-C4' energy: -77.515
flat angles C4'-P-C4' energy: -81.196
flat angles P-C4'-P energy: -44.486
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: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1545.953862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.953862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.953862 (E_RNA)
where:
Base-Base interactions energy: -1089.047
where: short stacking energy: -467.508
Base-Backbone interact. energy: 0.900
local terms energy: -457.806761
where:
bonds (distance) C4'-P energy: -86.961
bonds (distance) P-C4' energy: -100.010
flat angles C4'-P-C4' energy: -101.078
flat angles P-C4'-P energy: -52.465
tors. eta vs tors. theta energy: -117.294
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: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1461.497460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.497460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.497460 (E_RNA)
where:
Base-Base interactions energy: -1029.789
where: short stacking energy: -439.365
Base-Backbone interact. energy: -1.232
local terms energy: -430.476917
where:
bonds (distance) C4'-P energy: -81.125
bonds (distance) P-C4' energy: -72.487
flat angles C4'-P-C4' energy: -91.684
flat angles P-C4'-P energy: -64.852
tors. eta vs tors. theta energy: -120.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1418.165440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.165440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.165440 (E_RNA)
where:
Base-Base interactions energy: -956.819
where: short stacking energy: -426.436
Base-Backbone interact. energy: -0.388
local terms energy: -460.958812
where:
bonds (distance) C4'-P energy: -84.816
bonds (distance) P-C4' energy: -96.090
flat angles C4'-P-C4' energy: -91.663
flat angles P-C4'-P energy: -70.058
tors. eta vs tors. theta energy: -118.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1320.620674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.620674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.620674 (E_RNA)
where:
Base-Base interactions energy: -885.169
where: short stacking energy: -390.194
Base-Backbone interact. energy: -1.137
local terms energy: -434.314666
where:
bonds (distance) C4'-P energy: -94.967
bonds (distance) P-C4' energy: -83.814
flat angles C4'-P-C4' energy: -98.314
flat angles P-C4'-P energy: -53.929
tors. eta vs tors. theta energy: -103.290
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: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1257.608177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.608177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.608177 (E_RNA)
where:
Base-Base interactions energy: -819.853
where: short stacking energy: -357.314
Base-Backbone interact. energy: 0.903
local terms energy: -438.657874
where:
bonds (distance) C4'-P energy: -101.305
bonds (distance) P-C4' energy: -94.481
flat angles C4'-P-C4' energy: -90.744
flat angles P-C4'-P energy: -59.391
tors. eta vs tors. theta energy: -92.736
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: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1130.281755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.281755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.281755 (E_RNA)
where:
Base-Base interactions energy: -748.078
where: short stacking energy: -347.271
Base-Backbone interact. energy: -0.699
local terms energy: -381.504275
where:
bonds (distance) C4'-P energy: -82.870
bonds (distance) P-C4' energy: -76.555
flat angles C4'-P-C4' energy: -87.325
flat angles P-C4'-P energy: -51.323
tors. eta vs tors. theta energy: -83.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1050.857678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.857678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.857678 (E_RNA)
where:
Base-Base interactions energy: -688.542
where: short stacking energy: -318.555
Base-Backbone interact. energy: -1.340
local terms energy: -360.975768
where:
bonds (distance) C4'-P energy: -83.241
bonds (distance) P-C4' energy: -59.897
flat angles C4'-P-C4' energy: -85.300
flat angles P-C4'-P energy: -58.177
tors. eta vs tors. theta energy: -74.362
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: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -817.462490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.462490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.462490 (E_RNA)
where:
Base-Base interactions energy: -518.702
where: short stacking energy: -220.783
Base-Backbone interact. energy: -1.905
local terms energy: -296.855705
where:
bonds (distance) C4'-P energy: -70.976
bonds (distance) P-C4' energy: -81.401
flat angles C4'-P-C4' energy: -72.507
flat angles P-C4'-P energy: -48.805
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -722.510461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.510461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.510461 (E_RNA)
where:
Base-Base interactions energy: -457.077
where: short stacking energy: -202.550
Base-Backbone interact. energy: 6.797
local terms energy: -272.231321
where:
bonds (distance) C4'-P energy: -60.881
bonds (distance) P-C4' energy: -78.799
flat angles C4'-P-C4' energy: -67.048
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -575.097470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.097470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.097470 (E_RNA)
where:
Base-Base interactions energy: -320.444
where: short stacking energy: -175.057
Base-Backbone interact. energy: 1.815
local terms energy: -256.468245
where:
bonds (distance) C4'-P energy: -77.685
bonds (distance) P-C4' energy: -83.067
flat angles C4'-P-C4' energy: -48.745
flat angles P-C4'-P energy: -33.401
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1556.949384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.949384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.949384 (E_RNA)
where:
Base-Base interactions energy: -1092.798
where: short stacking energy: -477.742
Base-Backbone interact. energy: -3.367
local terms energy: -460.784730
where:
bonds (distance) C4'-P energy: -84.519
bonds (distance) P-C4' energy: -85.398
flat angles C4'-P-C4' energy: -99.268
flat angles P-C4'-P energy: -65.822
tors. eta vs tors. theta energy: -125.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1473.105418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.105418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.105418 (E_RNA)
where:
Base-Base interactions energy: -1012.321
where: short stacking energy: -429.520
Base-Backbone interact. energy: 0.180
local terms energy: -460.964611
where:
bonds (distance) C4'-P energy: -85.703
bonds (distance) P-C4' energy: -93.759
flat angles C4'-P-C4' energy: -94.336
flat angles P-C4'-P energy: -70.091
tors. eta vs tors. theta energy: -117.075
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: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1398.075508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.075508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.075508 (E_RNA)
where:
Base-Base interactions energy: -947.166
where: short stacking energy: -418.388
Base-Backbone interact. energy: -1.886
local terms energy: -449.023813
where:
bonds (distance) C4'-P energy: -91.295
bonds (distance) P-C4' energy: -76.522
flat angles C4'-P-C4' energy: -90.902
flat angles P-C4'-P energy: -69.505
tors. eta vs tors. theta energy: -120.800
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: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1326.464440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.464440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.464440 (E_RNA)
where:
Base-Base interactions energy: -914.617
where: short stacking energy: -392.196
Base-Backbone interact. energy: 1.941
local terms energy: -413.788254
where:
bonds (distance) C4'-P energy: -77.112
bonds (distance) P-C4' energy: -83.480
flat angles C4'-P-C4' energy: -92.883
flat angles P-C4'-P energy: -56.560
tors. eta vs tors. theta energy: -103.754
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: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1239.672169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.672169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.672169 (E_RNA)
where:
Base-Base interactions energy: -829.169
where: short stacking energy: -379.143
Base-Backbone interact. energy: -0.761
local terms energy: -409.741473
where:
bonds (distance) C4'-P energy: -77.577
bonds (distance) P-C4' energy: -82.412
flat angles C4'-P-C4' energy: -103.253
flat angles P-C4'-P energy: -44.539
tors. eta vs tors. theta energy: -101.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1104.414522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.414522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.414522 (E_RNA)
where:
Base-Base interactions energy: -743.228
where: short stacking energy: -307.420
Base-Backbone interact. energy: -2.832
local terms energy: -358.355223
where:
bonds (distance) C4'-P energy: -54.648
bonds (distance) P-C4' energy: -73.968
flat angles C4'-P-C4' energy: -95.523
flat angles P-C4'-P energy: -55.724
tors. eta vs tors. theta energy: -78.492
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: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1006.301661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.301661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.301661 (E_RNA)
where:
Base-Base interactions energy: -649.560
where: short stacking energy: -294.639
Base-Backbone interact. energy: -0.959
local terms energy: -355.782919
where:
bonds (distance) C4'-P energy: -77.530
bonds (distance) P-C4' energy: -87.015
flat angles C4'-P-C4' energy: -89.005
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: -62.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -842.268982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.268982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.268982 (E_RNA)
where:
Base-Base interactions energy: -529.961
where: short stacking energy: -249.263
Base-Backbone interact. energy: 5.222
local terms energy: -317.529825
where:
bonds (distance) C4'-P energy: -64.093
bonds (distance) P-C4' energy: -83.870
flat angles C4'-P-C4' energy: -80.413
flat angles P-C4'-P energy: -47.966
tors. eta vs tors. theta energy: -41.187
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: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -770.273979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.273979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.273979 (E_RNA)
where:
Base-Base interactions energy: -456.560
where: short stacking energy: -204.430
Base-Backbone interact. energy: -0.758
local terms energy: -312.955811
where:
bonds (distance) C4'-P energy: -91.848
bonds (distance) P-C4' energy: -77.009
flat angles C4'-P-C4' energy: -80.980
flat angles P-C4'-P energy: -46.454
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: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -579.427116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.427116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.427116 (E_RNA)
where:
Base-Base interactions energy: -317.416
where: short stacking energy: -148.511
Base-Backbone interact. energy: -2.950
local terms energy: -259.061513
where:
bonds (distance) C4'-P energy: -71.129
bonds (distance) P-C4' energy: -87.084
flat angles C4'-P-C4' energy: -75.953
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: 1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1562.822667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.822667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.822667 (E_RNA)
where:
Base-Base interactions energy: -1096.317
where: short stacking energy: -476.592
Base-Backbone interact. energy: -2.526
local terms energy: -463.979967
where:
bonds (distance) C4'-P energy: -97.038
bonds (distance) P-C4' energy: -91.804
flat angles C4'-P-C4' energy: -91.340
flat angles P-C4'-P energy: -59.434
tors. eta vs tors. theta energy: -124.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1464.536772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.536772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.536772 (E_RNA)
where:
Base-Base interactions energy: -1002.547
where: short stacking energy: -452.953
Base-Backbone interact. energy: -3.991
local terms energy: -457.999134
where:
bonds (distance) C4'-P energy: -86.579
bonds (distance) P-C4' energy: -96.345
flat angles C4'-P-C4' energy: -90.233
flat angles P-C4'-P energy: -67.484
tors. eta vs tors. theta energy: -117.358
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: 160
Temperature: 1.000000
Total energy: -1395.791941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.791941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.791941 (E_RNA)
where:
Base-Base interactions energy: -957.286
where: short stacking energy: -436.326
Base-Backbone interact. energy: -1.024
local terms energy: -437.481551
where:
bonds (distance) C4'-P energy: -70.882
bonds (distance) P-C4' energy: -80.917
flat angles C4'-P-C4' energy: -100.902
flat angles P-C4'-P energy: -67.249
tors. eta vs tors. theta energy: -117.533
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: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1324.183172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.183172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.183172 (E_RNA)
where:
Base-Base interactions energy: -909.233
where: short stacking energy: -399.397
Base-Backbone interact. energy: -1.109
local terms energy: -413.841758
where:
bonds (distance) C4'-P energy: -82.392
bonds (distance) P-C4' energy: -83.540
flat angles C4'-P-C4' energy: -82.014
flat angles P-C4'-P energy: -71.503
tors. eta vs tors. theta energy: -94.392
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: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1248.634699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.634699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.634699 (E_RNA)
where:
Base-Base interactions energy: -824.670
where: short stacking energy: -373.547
Base-Backbone interact. energy: 2.156
local terms energy: -426.120930
where:
bonds (distance) C4'-P energy: -84.539
bonds (distance) P-C4' energy: -85.853
flat angles C4'-P-C4' energy: -92.465
flat angles P-C4'-P energy: -65.773
tors. eta vs tors. theta energy: -97.491
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: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1117.591982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.591982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.591982 (E_RNA)
where:
Base-Base interactions energy: -734.034
where: short stacking energy: -335.120
Base-Backbone interact. energy: 0.697
local terms energy: -384.255017
where:
bonds (distance) C4'-P energy: -88.499
bonds (distance) P-C4' energy: -79.394
flat angles C4'-P-C4' energy: -76.617
flat angles P-C4'-P energy: -64.781
tors. eta vs tors. theta energy: -74.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1017.094671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.094671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.094671 (E_RNA)
where:
Base-Base interactions energy: -670.612
where: short stacking energy: -288.904
Base-Backbone interact. energy: 0.663
local terms energy: -347.145811
where:
bonds (distance) C4'-P energy: -75.990
bonds (distance) P-C4' energy: -80.202
flat angles C4'-P-C4' energy: -80.701
flat angles P-C4'-P energy: -55.367
tors. eta vs tors. theta energy: -54.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -906.356470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.356470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.356470 (E_RNA)
where:
Base-Base interactions energy: -557.180
where: short stacking energy: -262.056
Base-Backbone interact. energy: -2.720
local terms energy: -346.456035
where:
bonds (distance) C4'-P energy: -73.489
bonds (distance) P-C4' energy: -87.046
flat angles C4'-P-C4' energy: -90.701
flat angles P-C4'-P energy: -58.433
tors. eta vs tors. theta energy: -36.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -723.133193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.133193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.133193 (E_RNA)
where:
Base-Base interactions energy: -422.001
where: short stacking energy: -214.623
Base-Backbone interact. energy: 0.991
local terms energy: -302.123162
where:
bonds (distance) C4'-P energy: -66.605
bonds (distance) P-C4' energy: -81.647
flat angles C4'-P-C4' energy: -65.713
flat angles P-C4'-P energy: -51.624
tors. eta vs tors. theta energy: -36.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -606.431994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.431994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.431994 (E_RNA)
where:
Base-Base interactions energy: -336.430
where: short stacking energy: -180.187
Base-Backbone interact. energy: 1.743
local terms energy: -271.744769
where:
bonds (distance) C4'-P energy: -76.766
bonds (distance) P-C4' energy: -80.115
flat angles C4'-P-C4' energy: -68.622
flat angles P-C4'-P energy: -35.686
tors. eta vs tors. theta energy: -10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1558.939421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.939421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.939421 (E_RNA)
where:
Base-Base interactions energy: -1107.822
where: short stacking energy: -469.146
Base-Backbone interact. energy: -0.699
local terms energy: -450.418851
where:
bonds (distance) C4'-P energy: -86.738
bonds (distance) P-C4' energy: -86.277
flat angles C4'-P-C4' energy: -99.735
flat angles P-C4'-P energy: -60.392
tors. eta vs tors. theta energy: -117.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1485.109531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.109531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.109531 (E_RNA)
where:
Base-Base interactions energy: -1009.715
where: short stacking energy: -447.912
Base-Backbone interact. energy: -0.456
local terms energy: -474.938524
where:
bonds (distance) C4'-P energy: -81.185
bonds (distance) P-C4' energy: -88.496
flat angles C4'-P-C4' energy: -110.689
flat angles P-C4'-P energy: -64.396
tors. eta vs tors. theta energy: -130.172
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: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1386.507523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.507523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.507523 (E_RNA)
where:
Base-Base interactions energy: -944.701
where: short stacking energy: -417.592
Base-Backbone interact. energy: -2.054
local terms energy: -439.752492
where:
bonds (distance) C4'-P energy: -82.066
bonds (distance) P-C4' energy: -84.401
flat angles C4'-P-C4' energy: -97.726
flat angles P-C4'-P energy: -62.469
tors. eta vs tors. theta energy: -113.090
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: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1336.654430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.654430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.654430 (E_RNA)
where:
Base-Base interactions energy: -909.936
where: short stacking energy: -398.541
Base-Backbone interact. energy: -1.785
local terms energy: -424.933336
where:
bonds (distance) C4'-P energy: -75.890
bonds (distance) P-C4' energy: -96.095
flat angles C4'-P-C4' energy: -98.803
flat angles P-C4'-P energy: -55.893
tors. eta vs tors. theta energy: -98.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1228.155577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.155577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.155577 (E_RNA)
where:
Base-Base interactions energy: -825.054
where: short stacking energy: -361.490
Base-Backbone interact. energy: -2.339
local terms energy: -400.762325
where:
bonds (distance) C4'-P energy: -75.556
bonds (distance) P-C4' energy: -66.785
flat angles C4'-P-C4' energy: -91.521
flat angles P-C4'-P energy: -65.239
tors. eta vs tors. theta energy: -101.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1115.616650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.616650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.616650 (E_RNA)
where:
Base-Base interactions energy: -733.702
where: short stacking energy: -341.838
Base-Backbone interact. energy: -1.034
local terms energy: -380.880787
where:
bonds (distance) C4'-P energy: -72.917
bonds (distance) P-C4' energy: -84.877
flat angles C4'-P-C4' energy: -83.066
flat angles P-C4'-P energy: -60.483
tors. eta vs tors. theta energy: -79.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1033.366195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.366195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.366195 (E_RNA)
where:
Base-Base interactions energy: -685.378
where: short stacking energy: -318.846
Base-Backbone interact. energy: 2.162
local terms energy: -350.149577
where:
bonds (distance) C4'-P energy: -67.312
bonds (distance) P-C4' energy: -80.026
flat angles C4'-P-C4' energy: -96.712
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -62.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -898.628287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.628287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.628287 (E_RNA)
where:
Base-Base interactions energy: -600.385
where: short stacking energy: -288.103
Base-Backbone interact. energy: -0.905
local terms energy: -297.338266
where:
bonds (distance) C4'-P energy: -61.041
bonds (distance) P-C4' energy: -65.136
flat angles C4'-P-C4' energy: -71.019
flat angles P-C4'-P energy: -55.831
tors. eta vs tors. theta energy: -44.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -787.831861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.831861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.831861 (E_RNA)
where:
Base-Base interactions energy: -471.574
where: short stacking energy: -224.223
Base-Backbone interact. energy: -1.828
local terms energy: -314.430008
where:
bonds (distance) C4'-P energy: -65.901
bonds (distance) P-C4' energy: -93.780
flat angles C4'-P-C4' energy: -69.744
flat angles P-C4'-P energy: -50.528
tors. eta vs tors. theta energy: -34.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -585.631781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.631781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.631781 (E_RNA)
where:
Base-Base interactions energy: -339.760
where: short stacking energy: -191.105
Base-Backbone interact. energy: -2.223
local terms energy: -243.648714
where:
bonds (distance) C4'-P energy: -61.876
bonds (distance) P-C4' energy: -61.940
flat angles C4'-P-C4' energy: -63.307
flat angles P-C4'-P energy: -33.742
tors. eta vs tors. theta energy: -22.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1544.138581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.138581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.138581 (E_RNA)
where:
Base-Base interactions energy: -1077.430
where: short stacking energy: -466.116
Base-Backbone interact. energy: -1.774
local terms energy: -464.935116
where:
bonds (distance) C4'-P energy: -91.499
bonds (distance) P-C4' energy: -87.267
flat angles C4'-P-C4' energy: -101.715
flat angles P-C4'-P energy: -60.239
tors. eta vs tors. theta energy: -124.215
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: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1462.218600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.218600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.218600 (E_RNA)
where:
Base-Base interactions energy: -1003.613
where: short stacking energy: -454.144
Base-Backbone interact. energy: -2.358
local terms energy: -456.247876
where:
bonds (distance) C4'-P energy: -83.579
bonds (distance) P-C4' energy: -86.470
flat angles C4'-P-C4' energy: -104.388
flat angles P-C4'-P energy: -65.651
tors. eta vs tors. theta energy: -116.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1445.203917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.203917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.203917 (E_RNA)
where:
Base-Base interactions energy: -986.107
where: short stacking energy: -443.108
Base-Backbone interact. energy: -0.389
local terms energy: -458.707758
where:
bonds (distance) C4'-P energy: -88.196
bonds (distance) P-C4' energy: -83.185
flat angles C4'-P-C4' energy: -102.714
flat angles P-C4'-P energy: -65.096
tors. eta vs tors. theta energy: -119.517
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: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1343.642610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.642610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.642610 (E_RNA)
where:
Base-Base interactions energy: -924.219
where: short stacking energy: -404.845
Base-Backbone interact. energy: -1.802
local terms energy: -417.622189
where:
bonds (distance) C4'-P energy: -96.782
bonds (distance) P-C4' energy: -67.431
flat angles C4'-P-C4' energy: -97.409
flat angles P-C4'-P energy: -59.538
tors. eta vs tors. theta energy: -96.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1174.308294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.308294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.308294 (E_RNA)
where:
Base-Base interactions energy: -775.687
where: short stacking energy: -379.559
Base-Backbone interact. energy: -1.017
local terms energy: -397.604328
where:
bonds (distance) C4'-P energy: -71.480
bonds (distance) P-C4' energy: -84.302
flat angles C4'-P-C4' energy: -84.963
flat angles P-C4'-P energy: -60.550
tors. eta vs tors. theta energy: -96.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1129.422680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.422680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.422680 (E_RNA)
where:
Base-Base interactions energy: -764.757
where: short stacking energy: -342.092
Base-Backbone interact. energy: -2.959
local terms energy: -361.706712
where:
bonds (distance) C4'-P energy: -72.555
bonds (distance) P-C4' energy: -73.572
flat angles C4'-P-C4' energy: -74.181
flat angles P-C4'-P energy: -62.698
tors. eta vs tors. theta energy: -78.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1041.496616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.496616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.496616 (E_RNA)
where:
Base-Base interactions energy: -673.637
where: short stacking energy: -324.850
Base-Backbone interact. energy: -1.156
local terms energy: -366.703637
where:
bonds (distance) C4'-P energy: -70.118
bonds (distance) P-C4' energy: -68.341
flat angles C4'-P-C4' energy: -84.540
flat angles P-C4'-P energy: -67.217
tors. eta vs tors. theta energy: -76.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -958.422706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.422706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.422706 (E_RNA)
where:
Base-Base interactions energy: -627.707
where: short stacking energy: -282.977
Base-Backbone interact. energy: -0.872
local terms energy: -329.844233
where:
bonds (distance) C4'-P energy: -66.514
bonds (distance) P-C4' energy: -71.680
flat angles C4'-P-C4' energy: -77.309
flat angles P-C4'-P energy: -52.276
tors. eta vs tors. theta energy: -62.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -769.941223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.941223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.941223 (E_RNA)
where:
Base-Base interactions energy: -474.159
where: short stacking energy: -229.730
Base-Backbone interact. energy: 1.042
local terms energy: -296.824473
where:
bonds (distance) C4'-P energy: -67.587
bonds (distance) P-C4' energy: -69.193
flat angles C4'-P-C4' energy: -75.566
flat angles P-C4'-P energy: -54.474
tors. eta vs tors. theta energy: -30.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -604.270881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.270881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.270881 (E_RNA)
where:
Base-Base interactions energy: -336.296
where: short stacking energy: -180.578
Base-Backbone interact. energy: -0.744
local terms energy: -267.231134
where:
bonds (distance) C4'-P energy: -78.939
bonds (distance) P-C4' energy: -66.311
flat angles C4'-P-C4' energy: -74.930
flat angles P-C4'-P energy: -29.706
tors. eta vs tors. theta energy: -17.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1535.510971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.510971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.510971 (E_RNA)
where:
Base-Base interactions energy: -1072.692
where: short stacking energy: -450.965
Base-Backbone interact. energy: -2.495
local terms energy: -460.324100
where:
bonds (distance) C4'-P energy: -93.945
bonds (distance) P-C4' energy: -88.336
flat angles C4'-P-C4' energy: -99.326
flat angles P-C4'-P energy: -62.017
tors. eta vs tors. theta energy: -116.701
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: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1449.988299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.988299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.988299 (E_RNA)
where:
Base-Base interactions energy: -988.334
where: short stacking energy: -429.781
Base-Backbone interact. energy: 0.437
local terms energy: -462.091390
where:
bonds (distance) C4'-P energy: -84.062
bonds (distance) P-C4' energy: -89.931
flat angles C4'-P-C4' energy: -96.447
flat angles P-C4'-P energy: -69.910
tors. eta vs tors. theta energy: -121.742
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: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1419.689103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.689103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.689103 (E_RNA)
where:
Base-Base interactions energy: -975.292
where: short stacking energy: -422.171
Base-Backbone interact. energy: -2.027
local terms energy: -442.370475
where:
bonds (distance) C4'-P energy: -88.073
bonds (distance) P-C4' energy: -82.486
flat angles C4'-P-C4' energy: -92.721
flat angles P-C4'-P energy: -56.631
tors. eta vs tors. theta energy: -122.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1360.229272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.229272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.229272 (E_RNA)
where:
Base-Base interactions energy: -918.848
where: short stacking energy: -417.215
Base-Backbone interact. energy: -2.732
local terms energy: -438.649208
where:
bonds (distance) C4'-P energy: -82.160
bonds (distance) P-C4' energy: -80.427
flat angles C4'-P-C4' energy: -100.280
flat angles P-C4'-P energy: -63.399
tors. eta vs tors. theta energy: -112.383
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: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1173.926355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.926355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.926355 (E_RNA)
where:
Base-Base interactions energy: -763.503
where: short stacking energy: -338.954
Base-Backbone interact. energy: -2.113
local terms energy: -408.310171
where:
bonds (distance) C4'-P energy: -85.982
bonds (distance) P-C4' energy: -86.273
flat angles C4'-P-C4' energy: -88.029
flat angles P-C4'-P energy: -58.167
tors. eta vs tors. theta energy: -89.858
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: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1157.403454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.403454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.403454 (E_RNA)
where:
Base-Base interactions energy: -774.518
where: short stacking energy: -351.252
Base-Backbone interact. energy: -2.469
local terms energy: -380.416828
where:
bonds (distance) C4'-P energy: -73.532
bonds (distance) P-C4' energy: -88.334
flat angles C4'-P-C4' energy: -80.704
flat angles P-C4'-P energy: -56.664
tors. eta vs tors. theta energy: -81.182
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: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -964.361939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.361939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.361939 (E_RNA)
where:
Base-Base interactions energy: -647.614
where: short stacking energy: -261.217
Base-Backbone interact. energy: 0.456
local terms energy: -317.203650
where:
bonds (distance) C4'-P energy: -72.798
bonds (distance) P-C4' energy: -71.782
flat angles C4'-P-C4' energy: -78.375
flat angles P-C4'-P energy: -43.582
tors. eta vs tors. theta energy: -50.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -827.871370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.871370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.871370 (E_RNA)
where:
Base-Base interactions energy: -522.577
where: short stacking energy: -229.492
Base-Backbone interact. energy: -3.037
local terms energy: -302.256420
where:
bonds (distance) C4'-P energy: -66.821
bonds (distance) P-C4' energy: -82.449
flat angles C4'-P-C4' energy: -77.515
flat angles P-C4'-P energy: -48.132
tors. eta vs tors. theta energy: -27.340
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: 163
Temperature: 1.300000
Total energy: -730.624701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.624701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.624701 (E_RNA)
where:
Base-Base interactions energy: -428.967
where: short stacking energy: -217.482
Base-Backbone interact. energy: 6.358
local terms energy: -308.015553
where:
bonds (distance) C4'-P energy: -61.453
bonds (distance) P-C4' energy: -89.523
flat angles C4'-P-C4' energy: -84.324
flat angles P-C4'-P energy: -54.506
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: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -628.911461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.911461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.911461 (E_RNA)
where:
Base-Base interactions energy: -324.270
where: short stacking energy: -155.649
Base-Backbone interact. energy: 0.114
local terms energy: -304.755668
where:
bonds (distance) C4'-P energy: -93.257
bonds (distance) P-C4' energy: -89.324
flat angles C4'-P-C4' energy: -69.395
flat angles P-C4'-P energy: -40.359
tors. eta vs tors. theta energy: -12.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1559.618576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.618576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.618576 (E_RNA)
where:
Base-Base interactions energy: -1073.668
where: short stacking energy: -460.743
Base-Backbone interact. energy: -1.874
local terms energy: -484.076602
where:
bonds (distance) C4'-P energy: -92.219
bonds (distance) P-C4' energy: -91.937
flat angles C4'-P-C4' energy: -103.743
flat angles P-C4'-P energy: -69.525
tors. eta vs tors. theta energy: -126.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1445.939409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.939409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.939409 (E_RNA)
where:
Base-Base interactions energy: -1006.104
where: short stacking energy: -437.633
Base-Backbone interact. energy: 0.149
local terms energy: -439.984171
where:
bonds (distance) C4'-P energy: -75.389
bonds (distance) P-C4' energy: -98.909
flat angles C4'-P-C4' energy: -95.687
flat angles P-C4'-P energy: -57.327
tors. eta vs tors. theta energy: -112.673
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: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1400.321478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.321478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.321478 (E_RNA)
where:
Base-Base interactions energy: -965.409
where: short stacking energy: -417.862
Base-Backbone interact. energy: -4.665
local terms energy: -430.247641
where:
bonds (distance) C4'-P energy: -80.878
bonds (distance) P-C4' energy: -88.775
flat angles C4'-P-C4' energy: -97.071
flat angles P-C4'-P energy: -55.799
tors. eta vs tors. theta energy: -107.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1334.137378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.137378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.137378 (E_RNA)
where:
Base-Base interactions energy: -917.605
where: short stacking energy: -399.639
Base-Backbone interact. energy: -1.529
local terms energy: -415.003501
where:
bonds (distance) C4'-P energy: -71.541
bonds (distance) P-C4' energy: -86.745
flat angles C4'-P-C4' energy: -98.957
flat angles P-C4'-P energy: -61.808
tors. eta vs tors. theta energy: -95.952
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: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1189.828078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.828078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.828078 (E_RNA)
where:
Base-Base interactions energy: -764.989
where: short stacking energy: -354.908
Base-Backbone interact. energy: 3.223
local terms energy: -428.062179
where:
bonds (distance) C4'-P energy: -89.614
bonds (distance) P-C4' energy: -84.413
flat angles C4'-P-C4' energy: -102.635
flat angles P-C4'-P energy: -53.517
tors. eta vs tors. theta energy: -97.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1173.082888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.082888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.082888 (E_RNA)
where:
Base-Base interactions energy: -769.596
where: short stacking energy: -351.932
Base-Backbone interact. energy: -1.180
local terms energy: -402.307712
where:
bonds (distance) C4'-P energy: -67.147
bonds (distance) P-C4' energy: -85.620
flat angles C4'-P-C4' energy: -95.846
flat angles P-C4'-P energy: -61.474
tors. eta vs tors. theta energy: -92.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1008.179374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.179374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.179374 (E_RNA)
where:
Base-Base interactions energy: -660.887
where: short stacking energy: -297.956
Base-Backbone interact. energy: -1.480
local terms energy: -345.812669
where:
bonds (distance) C4'-P energy: -80.928
bonds (distance) P-C4' energy: -78.748
flat angles C4'-P-C4' energy: -78.441
flat angles P-C4'-P energy: -54.773
tors. eta vs tors. theta energy: -52.922
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: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -820.844689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.844689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.844689 (E_RNA)
where:
Base-Base interactions energy: -507.734
where: short stacking energy: -246.499
Base-Backbone interact. energy: 0.485
local terms energy: -313.595550
where:
bonds (distance) C4'-P energy: -72.333
bonds (distance) P-C4' energy: -89.750
flat angles C4'-P-C4' energy: -69.984
flat angles P-C4'-P energy: -43.804
tors. eta vs tors. theta energy: -37.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -749.044244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.044244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.044244 (E_RNA)
where:
Base-Base interactions energy: -467.480
where: short stacking energy: -250.474
Base-Backbone interact. energy: -0.377
local terms energy: -281.187778
where:
bonds (distance) C4'-P energy: -62.897
bonds (distance) P-C4' energy: -70.203
flat angles C4'-P-C4' energy: -72.035
flat angles P-C4'-P energy: -37.948
tors. eta vs tors. theta energy: -38.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -609.298865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.298865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.298865 (E_RNA)
where:
Base-Base interactions energy: -346.924
where: short stacking energy: -175.480
Base-Backbone interact. energy: -1.102
local terms energy: -261.273296
where:
bonds (distance) C4'-P energy: -72.528
bonds (distance) P-C4' energy: -77.104
flat angles C4'-P-C4' energy: -68.208
flat angles P-C4'-P energy: -33.250
tors. eta vs tors. theta energy: -10.183
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: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1539.119073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.119073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.119073 (E_RNA)
where:
Base-Base interactions energy: -1056.006
where: short stacking energy: -455.788
Base-Backbone interact. energy: -2.420
local terms energy: -480.692876
where:
bonds (distance) C4'-P energy: -89.136
bonds (distance) P-C4' energy: -98.740
flat angles C4'-P-C4' energy: -97.827
flat angles P-C4'-P energy: -78.861
tors. eta vs tors. theta energy: -116.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1490.070387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.070387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.070387 (E_RNA)
where:
Base-Base interactions energy: -1039.078
where: short stacking energy: -439.807
Base-Backbone interact. energy: -5.340
local terms energy: -445.652793
where:
bonds (distance) C4'-P energy: -79.300
bonds (distance) P-C4' energy: -90.726
flat angles C4'-P-C4' energy: -96.039
flat angles P-C4'-P energy: -64.038
tors. eta vs tors. theta energy: -115.550
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: 165
Temperature: 1.000000
Total energy: -1420.827491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.827491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.827491 (E_RNA)
where:
Base-Base interactions energy: -972.078
where: short stacking energy: -438.001
Base-Backbone interact. energy: -1.664
local terms energy: -447.085202
where:
bonds (distance) C4'-P energy: -85.547
bonds (distance) P-C4' energy: -82.802
flat angles C4'-P-C4' energy: -95.216
flat angles P-C4'-P energy: -57.991
tors. eta vs tors. theta energy: -125.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1362.528735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.528735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.528735 (E_RNA)
where:
Base-Base interactions energy: -922.263
where: short stacking energy: -403.940
Base-Backbone interact. energy: 3.010
local terms energy: -443.275242
where:
bonds (distance) C4'-P energy: -89.366
bonds (distance) P-C4' energy: -82.199
flat angles C4'-P-C4' energy: -89.896
flat angles P-C4'-P energy: -67.725
tors. eta vs tors. theta energy: -114.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1200.854437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.854437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.854437 (E_RNA)
where:
Base-Base interactions energy: -782.829
where: short stacking energy: -361.828
Base-Backbone interact. energy: 5.394
local terms energy: -423.419838
where:
bonds (distance) C4'-P energy: -81.472
bonds (distance) P-C4' energy: -94.479
flat angles C4'-P-C4' energy: -81.985
flat angles P-C4'-P energy: -69.752
tors. eta vs tors. theta energy: -95.732
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: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1152.631065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.631065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.631065 (E_RNA)
where:
Base-Base interactions energy: -759.493
where: short stacking energy: -361.769
Base-Backbone interact. energy: 0.542
local terms energy: -393.680504
where:
bonds (distance) C4'-P energy: -83.441
bonds (distance) P-C4' energy: -79.875
flat angles C4'-P-C4' energy: -85.751
flat angles P-C4'-P energy: -66.183
tors. eta vs tors. theta energy: -78.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1021.551068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.551068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.551068 (E_RNA)
where:
Base-Base interactions energy: -655.614
where: short stacking energy: -292.085
Base-Backbone interact. energy: 4.758
local terms energy: -370.695096
where:
bonds (distance) C4'-P energy: -99.773
bonds (distance) P-C4' energy: -72.212
flat angles C4'-P-C4' energy: -75.597
flat angles P-C4'-P energy: -54.829
tors. eta vs tors. theta energy: -68.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -810.120786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.120786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.120786 (E_RNA)
where:
Base-Base interactions energy: -477.817
where: short stacking energy: -239.475
Base-Backbone interact. energy: 1.382
local terms energy: -333.685948
where:
bonds (distance) C4'-P energy: -81.707
bonds (distance) P-C4' energy: -83.085
flat angles C4'-P-C4' energy: -74.743
flat angles P-C4'-P energy: -46.002
tors. eta vs tors. theta energy: -48.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -783.055996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.055996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.055996 (E_RNA)
where:
Base-Base interactions energy: -484.475
where: short stacking energy: -226.791
Base-Backbone interact. energy: 6.129
local terms energy: -304.710651
where:
bonds (distance) C4'-P energy: -64.927
bonds (distance) P-C4' energy: -76.351
flat angles C4'-P-C4' energy: -87.823
flat angles P-C4'-P energy: -49.023
tors. eta vs tors. theta energy: -26.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -617.434976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.434976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.434976 (E_RNA)
where:
Base-Base interactions energy: -357.822
where: short stacking energy: -198.738
Base-Backbone interact. energy: -0.965
local terms energy: -258.648038
where:
bonds (distance) C4'-P energy: -70.176
bonds (distance) P-C4' energy: -56.733
flat angles C4'-P-C4' energy: -74.532
flat angles P-C4'-P energy: -35.962
tors. eta vs tors. theta energy: -21.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1503.559090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.559090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.559090 (E_RNA)
where:
Base-Base interactions energy: -1011.818
where: short stacking energy: -442.665
Base-Backbone interact. energy: -0.719
local terms energy: -491.022020
where:
bonds (distance) C4'-P energy: -102.168
bonds (distance) P-C4' energy: -85.474
flat angles C4'-P-C4' energy: -99.678
flat angles P-C4'-P energy: -74.918
tors. eta vs tors. theta energy: -128.784
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: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1501.551658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.551658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.551658 (E_RNA)
where:
Base-Base interactions energy: -1049.291
where: short stacking energy: -444.870
Base-Backbone interact. energy: -1.671
local terms energy: -450.590150
where:
bonds (distance) C4'-P energy: -81.754
bonds (distance) P-C4' energy: -91.037
flat angles C4'-P-C4' energy: -96.843
flat angles P-C4'-P energy: -59.690
tors. eta vs tors. theta energy: -121.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1413.491437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.491437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.491437 (E_RNA)
where:
Base-Base interactions energy: -972.249
where: short stacking energy: -426.178
Base-Backbone interact. energy: 0.691
local terms energy: -441.933596
where:
bonds (distance) C4'-P energy: -81.996
bonds (distance) P-C4' energy: -89.611
flat angles C4'-P-C4' energy: -90.458
flat angles P-C4'-P energy: -60.301
tors. eta vs tors. theta energy: -119.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1349.249582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.249582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.249582 (E_RNA)
where:
Base-Base interactions energy: -914.713
where: short stacking energy: -399.791
Base-Backbone interact. energy: -1.124
local terms energy: -433.412970
where:
bonds (distance) C4'-P energy: -91.033
bonds (distance) P-C4' energy: -77.005
flat angles C4'-P-C4' energy: -103.813
flat angles P-C4'-P energy: -58.082
tors. eta vs tors. theta energy: -103.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1206.061962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.061962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.061962 (E_RNA)
where:
Base-Base interactions energy: -802.638
where: short stacking energy: -352.175
Base-Backbone interact. energy: 0.506
local terms energy: -403.930378
where:
bonds (distance) C4'-P energy: -88.700
bonds (distance) P-C4' energy: -79.355
flat angles C4'-P-C4' energy: -92.056
flat angles P-C4'-P energy: -53.580
tors. eta vs tors. theta energy: -90.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1159.493736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.493736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.493736 (E_RNA)
where:
Base-Base interactions energy: -781.230
where: short stacking energy: -369.941
Base-Backbone interact. energy: -1.231
local terms energy: -377.032515
where:
bonds (distance) C4'-P energy: -68.942
bonds (distance) P-C4' energy: -77.759
flat angles C4'-P-C4' energy: -81.402
flat angles P-C4'-P energy: -56.238
tors. eta vs tors. theta energy: -92.691
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: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -985.149013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.149013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.149013 (E_RNA)
where:
Base-Base interactions energy: -619.754
where: short stacking energy: -289.900
Base-Backbone interact. energy: -1.303
local terms energy: -364.092143
where:
bonds (distance) C4'-P energy: -73.862
bonds (distance) P-C4' energy: -84.625
flat angles C4'-P-C4' energy: -89.205
flat angles P-C4'-P energy: -53.103
tors. eta vs tors. theta energy: -63.297
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: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -823.243574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.243574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.243574 (E_RNA)
where:
Base-Base interactions energy: -479.074
where: short stacking energy: -229.760
Base-Backbone interact. energy: -0.674
local terms energy: -343.495181
where:
bonds (distance) C4'-P energy: -71.898
bonds (distance) P-C4' energy: -90.660
flat angles C4'-P-C4' energy: -73.284
flat angles P-C4'-P energy: -56.999
tors. eta vs tors. theta energy: -50.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -649.305460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.305460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.305460 (E_RNA)
where:
Base-Base interactions energy: -372.029
where: short stacking energy: -169.036
Base-Backbone interact. energy: -0.304
local terms energy: -276.972357
where:
bonds (distance) C4'-P energy: -82.221
bonds (distance) P-C4' energy: -79.664
flat angles C4'-P-C4' energy: -63.111
flat angles P-C4'-P energy: -40.981
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -723.414473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.414473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.414473 (E_RNA)
where:
Base-Base interactions energy: -440.277
where: short stacking energy: -214.820
Base-Backbone interact. energy: 0.149
local terms energy: -283.286159
where:
bonds (distance) C4'-P energy: -69.028
bonds (distance) P-C4' energy: -72.642
flat angles C4'-P-C4' energy: -67.099
flat angles P-C4'-P energy: -41.220
tors. eta vs tors. theta energy: -33.298
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: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1504.399306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.399306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.399306 (E_RNA)
where:
Base-Base interactions energy: -1010.830
where: short stacking energy: -452.000
Base-Backbone interact. energy: -0.502
local terms energy: -493.067580
where:
bonds (distance) C4'-P energy: -98.405
bonds (distance) P-C4' energy: -95.854
flat angles C4'-P-C4' energy: -102.331
flat angles P-C4'-P energy: -71.220
tors. eta vs tors. theta energy: -125.257
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: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1512.929026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.929026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.929026 (E_RNA)
where:
Base-Base interactions energy: -1069.668
where: short stacking energy: -442.445
Base-Backbone interact. energy: -1.559
local terms energy: -441.701479
where:
bonds (distance) C4'-P energy: -80.811
bonds (distance) P-C4' energy: -81.214
flat angles C4'-P-C4' energy: -101.043
flat angles P-C4'-P energy: -58.570
tors. eta vs tors. theta energy: -120.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1373.784346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.784346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.784346 (E_RNA)
where:
Base-Base interactions energy: -936.930
where: short stacking energy: -422.078
Base-Backbone interact. energy: 0.765
local terms energy: -437.619308
where:
bonds (distance) C4'-P energy: -74.846
bonds (distance) P-C4' energy: -83.641
flat angles C4'-P-C4' energy: -97.500
flat angles P-C4'-P energy: -63.531
tors. eta vs tors. theta energy: -118.101
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: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1316.055247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.055247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.055247 (E_RNA)
where:
Base-Base interactions energy: -898.052
where: short stacking energy: -393.993
Base-Backbone interact. energy: -0.494
local terms energy: -417.509653
where:
bonds (distance) C4'-P energy: -86.254
bonds (distance) P-C4' energy: -86.849
flat angles C4'-P-C4' energy: -85.146
flat angles P-C4'-P energy: -60.503
tors. eta vs tors. theta energy: -98.757
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: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1214.882954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.882954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.882954 (E_RNA)
where:
Base-Base interactions energy: -812.089
where: short stacking energy: -366.812
Base-Backbone interact. energy: 0.812
local terms energy: -403.605884
where:
bonds (distance) C4'-P energy: -85.584
bonds (distance) P-C4' energy: -90.468
flat angles C4'-P-C4' energy: -84.681
flat angles P-C4'-P energy: -48.592
tors. eta vs tors. theta energy: -94.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1183.273894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.273894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.273894 (E_RNA)
where:
Base-Base interactions energy: -786.846
where: short stacking energy: -350.223
Base-Backbone interact. energy: -0.352
local terms energy: -396.075949
where:
bonds (distance) C4'-P energy: -80.169
bonds (distance) P-C4' energy: -82.674
flat angles C4'-P-C4' energy: -79.331
flat angles P-C4'-P energy: -61.768
tors. eta vs tors. theta energy: -92.134
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: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1045.687698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.687698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.687698 (E_RNA)
where:
Base-Base interactions energy: -679.797
where: short stacking energy: -309.655
Base-Backbone interact. energy: -0.389
local terms energy: -365.501549
where:
bonds (distance) C4'-P energy: -92.536
bonds (distance) P-C4' energy: -84.617
flat angles C4'-P-C4' energy: -74.663
flat angles P-C4'-P energy: -43.957
tors. eta vs tors. theta energy: -69.728
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: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -878.872661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.872661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.872661 (E_RNA)
where:
Base-Base interactions energy: -550.624
where: short stacking energy: -273.075
Base-Backbone interact. energy: 0.787
local terms energy: -329.035690
where:
bonds (distance) C4'-P energy: -63.660
bonds (distance) P-C4' energy: -80.133
flat angles C4'-P-C4' energy: -88.331
flat angles P-C4'-P energy: -48.379
tors. eta vs tors. theta energy: -48.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -691.813193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.813193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.813193 (E_RNA)
where:
Base-Base interactions energy: -393.901
where: short stacking energy: -186.079
Base-Backbone interact. energy: 1.706
local terms energy: -299.618835
where:
bonds (distance) C4'-P energy: -72.328
bonds (distance) P-C4' energy: -85.023
flat angles C4'-P-C4' energy: -62.935
flat angles P-C4'-P energy: -40.767
tors. eta vs tors. theta energy: -38.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -723.479513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.479513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.479513 (E_RNA)
where:
Base-Base interactions energy: -450.087
where: short stacking energy: -208.510
Base-Backbone interact. energy: -1.700
local terms energy: -271.692562
where:
bonds (distance) C4'-P energy: -58.667
bonds (distance) P-C4' energy: -73.941
flat angles C4'-P-C4' energy: -80.565
flat angles P-C4'-P energy: -36.395
tors. eta vs tors. theta energy: -22.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1529.570891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.570891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.570891 (E_RNA)
where:
Base-Base interactions energy: -1032.696
where: short stacking energy: -446.776
Base-Backbone interact. energy: -3.248
local terms energy: -493.626469
where:
bonds (distance) C4'-P energy: -94.723
bonds (distance) P-C4' energy: -101.719
flat angles C4'-P-C4' energy: -107.446
flat angles P-C4'-P energy: -65.549
tors. eta vs tors. theta energy: -124.190
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: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1531.211730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.211730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.211730 (E_RNA)
where:
Base-Base interactions energy: -1067.783
where: short stacking energy: -446.956
Base-Backbone interact. energy: 0.988
local terms energy: -464.416491
where:
bonds (distance) C4'-P energy: -92.345
bonds (distance) P-C4' energy: -87.281
flat angles C4'-P-C4' energy: -88.717
flat angles P-C4'-P energy: -67.252
tors. eta vs tors. theta energy: -128.821
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: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1404.985919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.985919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.985919 (E_RNA)
where:
Base-Base interactions energy: -952.851
where: short stacking energy: -424.469
Base-Backbone interact. energy: -1.289
local terms energy: -450.845865
where:
bonds (distance) C4'-P energy: -90.825
bonds (distance) P-C4' energy: -83.265
flat angles C4'-P-C4' energy: -86.466
flat angles P-C4'-P energy: -72.015
tors. eta vs tors. theta energy: -118.275
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: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1266.745512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.745512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.745512 (E_RNA)
where:
Base-Base interactions energy: -860.345
where: short stacking energy: -369.023
Base-Backbone interact. energy: -0.555
local terms energy: -405.845122
where:
bonds (distance) C4'-P energy: -86.510
bonds (distance) P-C4' energy: -85.175
flat angles C4'-P-C4' energy: -90.922
flat angles P-C4'-P energy: -55.450
tors. eta vs tors. theta energy: -87.787
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: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1236.798436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.798436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.798436 (E_RNA)
where:
Base-Base interactions energy: -825.750
where: short stacking energy: -362.175
Base-Backbone interact. energy: 0.251
local terms energy: -411.299153
where:
bonds (distance) C4'-P energy: -89.554
bonds (distance) P-C4' energy: -63.069
flat angles C4'-P-C4' energy: -104.431
flat angles P-C4'-P energy: -63.508
tors. eta vs tors. theta energy: -90.738
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: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1193.151519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.151519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.151519 (E_RNA)
where:
Base-Base interactions energy: -785.428
where: short stacking energy: -356.170
Base-Backbone interact. energy: 0.048
local terms energy: -407.771784
where:
bonds (distance) C4'-P energy: -91.739
bonds (distance) P-C4' energy: -86.965
flat angles C4'-P-C4' energy: -86.463
flat angles P-C4'-P energy: -51.255
tors. eta vs tors. theta energy: -91.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1054.932770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.932770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.932770 (E_RNA)
where:
Base-Base interactions energy: -679.586
where: short stacking energy: -312.264
Base-Backbone interact. energy: 1.678
local terms energy: -377.024710
where:
bonds (distance) C4'-P energy: -89.743
bonds (distance) P-C4' energy: -75.697
flat angles C4'-P-C4' energy: -90.315
flat angles P-C4'-P energy: -54.044
tors. eta vs tors. theta energy: -67.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -843.370994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.370994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.370994 (E_RNA)
where:
Base-Base interactions energy: -526.040
where: short stacking energy: -246.517
Base-Backbone interact. energy: -1.513
local terms energy: -315.817539
where:
bonds (distance) C4'-P energy: -80.751
bonds (distance) P-C4' energy: -73.394
flat angles C4'-P-C4' energy: -74.774
flat angles P-C4'-P energy: -51.421
tors. eta vs tors. theta energy: -35.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -669.674014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.674014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.674014 (E_RNA)
where:
Base-Base interactions energy: -391.174
where: short stacking energy: -188.978
Base-Backbone interact. energy: 1.830
local terms energy: -280.329546
where:
bonds (distance) C4'-P energy: -84.945
bonds (distance) P-C4' energy: -76.845
flat angles C4'-P-C4' energy: -72.356
flat angles P-C4'-P energy: -24.740
tors. eta vs tors. theta energy: -21.443
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: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -701.963399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.963399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.963399 (E_RNA)
where:
Base-Base interactions energy: -411.592
where: short stacking energy: -196.553
Base-Backbone interact. energy: 1.826
local terms energy: -292.197463
where:
bonds (distance) C4'-P energy: -78.576
bonds (distance) P-C4' energy: -87.439
flat angles C4'-P-C4' energy: -72.312
flat angles P-C4'-P energy: -33.412
tors. eta vs tors. theta energy: -20.459
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: 169
Temperature: 0.900000
Total energy: -1498.824696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.824696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.824696 (E_RNA)
where:
Base-Base interactions energy: -1029.569
where: short stacking energy: -449.468
Base-Backbone interact. energy: -1.385
local terms energy: -467.870720
where:
bonds (distance) C4'-P energy: -85.825
bonds (distance) P-C4' energy: -88.996
flat angles C4'-P-C4' energy: -102.872
flat angles P-C4'-P energy: -62.856
tors. eta vs tors. theta energy: -127.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1509.433612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.433612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.433612 (E_RNA)
where:
Base-Base interactions energy: -1053.335
where: short stacking energy: -431.267
Base-Backbone interact. energy: -0.950
local terms energy: -455.148248
where:
bonds (distance) C4'-P energy: -92.291
bonds (distance) P-C4' energy: -78.293
flat angles C4'-P-C4' energy: -99.679
flat angles P-C4'-P energy: -60.044
tors. eta vs tors. theta energy: -124.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1421.331887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.331887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.331887 (E_RNA)
where:
Base-Base interactions energy: -965.672
where: short stacking energy: -405.250
Base-Backbone interact. energy: -2.483
local terms energy: -453.177267
where:
bonds (distance) C4'-P energy: -89.714
bonds (distance) P-C4' energy: -93.157
flat angles C4'-P-C4' energy: -102.187
flat angles P-C4'-P energy: -57.254
tors. eta vs tors. theta energy: -110.865
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: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1288.779719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.779719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.779719 (E_RNA)
where:
Base-Base interactions energy: -864.039
where: short stacking energy: -377.554
Base-Backbone interact. energy: -0.943
local terms energy: -423.797885
where:
bonds (distance) C4'-P energy: -81.136
bonds (distance) P-C4' energy: -95.935
flat angles C4'-P-C4' energy: -92.892
flat angles P-C4'-P energy: -61.542
tors. eta vs tors. theta energy: -92.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1237.458039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.458039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.458039 (E_RNA)
where:
Base-Base interactions energy: -836.107
where: short stacking energy: -360.657
Base-Backbone interact. energy: -0.259
local terms energy: -401.092449
where:
bonds (distance) C4'-P energy: -79.682
bonds (distance) P-C4' energy: -91.656
flat angles C4'-P-C4' energy: -87.857
flat angles P-C4'-P energy: -63.205
tors. eta vs tors. theta energy: -78.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1152.602881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.602881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.602881 (E_RNA)
where:
Base-Base interactions energy: -789.546
where: short stacking energy: -359.738
Base-Backbone interact. energy: -0.927
local terms energy: -362.129857
where:
bonds (distance) C4'-P energy: -74.025
bonds (distance) P-C4' energy: -73.036
flat angles C4'-P-C4' energy: -85.719
flat angles P-C4'-P energy: -48.563
tors. eta vs tors. theta energy: -80.786
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: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1061.755923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.755923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.755923 (E_RNA)
where:
Base-Base interactions energy: -679.409
where: short stacking energy: -313.808
Base-Backbone interact. energy: -1.145
local terms energy: -381.201906
where:
bonds (distance) C4'-P energy: -80.721
bonds (distance) P-C4' energy: -80.859
flat angles C4'-P-C4' energy: -92.685
flat angles P-C4'-P energy: -48.702
tors. eta vs tors. theta energy: -78.236
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: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -857.881076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.881076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.881076 (E_RNA)
where:
Base-Base interactions energy: -537.619
where: short stacking energy: -245.645
Base-Backbone interact. energy: 0.392
local terms energy: -320.654044
where:
bonds (distance) C4'-P energy: -63.533
bonds (distance) P-C4' energy: -90.175
flat angles C4'-P-C4' energy: -76.962
flat angles P-C4'-P energy: -43.759
tors. eta vs tors. theta energy: -46.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -684.070414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.070414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.070414 (E_RNA)
where:
Base-Base interactions energy: -405.311
where: short stacking energy: -180.297
Base-Backbone interact. energy: 10.031
local terms energy: -288.790199
where:
bonds (distance) C4'-P energy: -81.554
bonds (distance) P-C4' energy: -74.423
flat angles C4'-P-C4' energy: -72.671
flat angles P-C4'-P energy: -45.626
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -690.210010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.210010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.210010 (E_RNA)
where:
Base-Base interactions energy: -398.968
where: short stacking energy: -159.151
Base-Backbone interact. energy: 1.350
local terms energy: -292.592145
where:
bonds (distance) C4'-P energy: -78.201
bonds (distance) P-C4' energy: -78.121
flat angles C4'-P-C4' energy: -78.983
flat angles P-C4'-P energy: -45.590
tors. eta vs tors. theta energy: -11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1513.558779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.558779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.558779 (E_RNA)
where:
Base-Base interactions energy: -1025.254
where: short stacking energy: -427.520
Base-Backbone interact. energy: -4.002
local terms energy: -484.302332
where:
bonds (distance) C4'-P energy: -98.762
bonds (distance) P-C4' energy: -100.303
flat angles C4'-P-C4' energy: -96.707
flat angles P-C4'-P energy: -59.539
tors. eta vs tors. theta energy: -128.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1489.175172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.175172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.175172 (E_RNA)
where:
Base-Base interactions energy: -991.796
where: short stacking energy: -452.865
Base-Backbone interact. energy: -2.610
local terms energy: -494.768601
where:
bonds (distance) C4'-P energy: -95.645
bonds (distance) P-C4' energy: -105.009
flat angles C4'-P-C4' energy: -100.112
flat angles P-C4'-P energy: -70.963
tors. eta vs tors. theta energy: -123.040
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: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1405.003755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.003755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.003755 (E_RNA)
where:
Base-Base interactions energy: -951.403
where: short stacking energy: -435.814
Base-Backbone interact. energy: -0.195
local terms energy: -453.405076
where:
bonds (distance) C4'-P energy: -93.850
bonds (distance) P-C4' energy: -76.133
flat angles C4'-P-C4' energy: -97.457
flat angles P-C4'-P energy: -63.420
tors. eta vs tors. theta energy: -122.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1297.025714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.025714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.025714 (E_RNA)
where:
Base-Base interactions energy: -892.142
where: short stacking energy: -388.265
Base-Backbone interact. energy: -2.369
local terms energy: -402.514899
where:
bonds (distance) C4'-P energy: -89.100
bonds (distance) P-C4' energy: -86.348
flat angles C4'-P-C4' energy: -84.904
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -87.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1276.898847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.898847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.898847 (E_RNA)
where:
Base-Base interactions energy: -872.299
where: short stacking energy: -374.040
Base-Backbone interact. energy: 0.075
local terms energy: -404.674695
where:
bonds (distance) C4'-P energy: -79.246
bonds (distance) P-C4' energy: -85.813
flat angles C4'-P-C4' energy: -95.030
flat angles P-C4'-P energy: -53.974
tors. eta vs tors. theta energy: -90.612
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: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1162.646326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.646326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.646326 (E_RNA)
where:
Base-Base interactions energy: -776.734
where: short stacking energy: -327.557
Base-Backbone interact. energy: 1.434
local terms energy: -387.345786
where:
bonds (distance) C4'-P energy: -88.723
bonds (distance) P-C4' energy: -90.591
flat angles C4'-P-C4' energy: -82.518
flat angles P-C4'-P energy: -51.430
tors. eta vs tors. theta energy: -74.084
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: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1045.108352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.108352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.108352 (E_RNA)
where:
Base-Base interactions energy: -683.518
where: short stacking energy: -300.645
Base-Backbone interact. energy: 1.482
local terms energy: -363.072909
where:
bonds (distance) C4'-P energy: -82.727
bonds (distance) P-C4' energy: -93.704
flat angles C4'-P-C4' energy: -78.370
flat angles P-C4'-P energy: -41.631
tors. eta vs tors. theta energy: -66.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -818.150506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.150506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.150506 (E_RNA)
where:
Base-Base interactions energy: -517.773
where: short stacking energy: -231.414
Base-Backbone interact. energy: 2.493
local terms energy: -302.870122
where:
bonds (distance) C4'-P energy: -74.269
bonds (distance) P-C4' energy: -78.168
flat angles C4'-P-C4' energy: -63.502
flat angles P-C4'-P energy: -45.690
tors. eta vs tors. theta energy: -41.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -724.735896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.735896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.735896 (E_RNA)
where:
Base-Base interactions energy: -436.772
where: short stacking energy: -243.046
Base-Backbone interact. energy: 1.927
local terms energy: -289.890450
where:
bonds (distance) C4'-P energy: -82.518
bonds (distance) P-C4' energy: -68.349
flat angles C4'-P-C4' energy: -66.966
flat angles P-C4'-P energy: -35.659
tors. eta vs tors. theta energy: -36.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -672.026004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.026004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.026004 (E_RNA)
where:
Base-Base interactions energy: -413.262
where: short stacking energy: -191.019
Base-Backbone interact. energy: -1.904
local terms energy: -256.859520
where:
bonds (distance) C4'-P energy: -71.211
bonds (distance) P-C4' energy: -76.116
flat angles C4'-P-C4' energy: -68.416
flat angles P-C4'-P energy: -25.617
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: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1574.538345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.538345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.538345 (E_RNA)
where:
Base-Base interactions energy: -1093.304
where: short stacking energy: -453.595
Base-Backbone interact. energy: 0.229
local terms energy: -481.463644
where:
bonds (distance) C4'-P energy: -88.567
bonds (distance) P-C4' energy: -98.388
flat angles C4'-P-C4' energy: -99.827
flat angles P-C4'-P energy: -68.506
tors. eta vs tors. theta energy: -126.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1463.931392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.931392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.931392 (E_RNA)
where:
Base-Base interactions energy: -1005.103
where: short stacking energy: -449.091
Base-Backbone interact. energy: -1.251
local terms energy: -457.577953
where:
bonds (distance) C4'-P energy: -83.799
bonds (distance) P-C4' energy: -91.011
flat angles C4'-P-C4' energy: -93.065
flat angles P-C4'-P energy: -65.037
tors. eta vs tors. theta energy: -124.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1400.276325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.276325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.276325 (E_RNA)
where:
Base-Base interactions energy: -978.240
where: short stacking energy: -452.893
Base-Backbone interact. energy: -0.488
local terms energy: -421.548707
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -86.699
flat angles C4'-P-C4' energy: -95.257
flat angles P-C4'-P energy: -58.083
tors. eta vs tors. theta energy: -112.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1343.607670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.607670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.607670 (E_RNA)
where:
Base-Base interactions energy: -924.982
where: short stacking energy: -391.801
Base-Backbone interact. energy: -0.266
local terms energy: -418.359327
where:
bonds (distance) C4'-P energy: -75.116
bonds (distance) P-C4' energy: -86.789
flat angles C4'-P-C4' energy: -94.308
flat angles P-C4'-P energy: -59.016
tors. eta vs tors. theta energy: -103.131
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: 171
Temperature: 1.100000
Total energy: -1288.529601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.529601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.529601 (E_RNA)
where:
Base-Base interactions energy: -869.250
where: short stacking energy: -406.882
Base-Backbone interact. energy: -2.282
local terms energy: -416.997339
where:
bonds (distance) C4'-P energy: -82.562
bonds (distance) P-C4' energy: -88.146
flat angles C4'-P-C4' energy: -85.972
flat angles P-C4'-P energy: -54.334
tors. eta vs tors. theta energy: -105.983
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: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1122.995978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.995978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.995978 (E_RNA)
where:
Base-Base interactions energy: -764.582
where: short stacking energy: -346.345
Base-Backbone interact. energy: 1.566
local terms energy: -359.979774
where:
bonds (distance) C4'-P energy: -70.270
bonds (distance) P-C4' energy: -78.693
flat angles C4'-P-C4' energy: -86.506
flat angles P-C4'-P energy: -35.643
tors. eta vs tors. theta energy: -88.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1005.001384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.001384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.001384 (E_RNA)
where:
Base-Base interactions energy: -657.026
where: short stacking energy: -316.754
Base-Backbone interact. energy: -2.877
local terms energy: -345.097728
where:
bonds (distance) C4'-P energy: -77.921
bonds (distance) P-C4' energy: -75.113
flat angles C4'-P-C4' energy: -79.989
flat angles P-C4'-P energy: -54.483
tors. eta vs tors. theta energy: -57.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -835.469611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.469611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.469611 (E_RNA)
where:
Base-Base interactions energy: -517.248
where: short stacking energy: -265.460
Base-Backbone interact. energy: 5.269
local terms energy: -323.490114
where:
bonds (distance) C4'-P energy: -67.980
bonds (distance) P-C4' energy: -77.962
flat angles C4'-P-C4' energy: -87.824
flat angles P-C4'-P energy: -45.830
tors. eta vs tors. theta energy: -43.894
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: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -747.881665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.881665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.881665 (E_RNA)
where:
Base-Base interactions energy: -451.635
where: short stacking energy: -212.414
Base-Backbone interact. energy: 1.191
local terms energy: -297.437695
where:
bonds (distance) C4'-P energy: -76.477
bonds (distance) P-C4' energy: -62.405
flat angles C4'-P-C4' energy: -76.832
flat angles P-C4'-P energy: -52.672
tors. eta vs tors. theta energy: -29.052
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: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -676.212153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.212153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.212153 (E_RNA)
where:
Base-Base interactions energy: -398.520
where: short stacking energy: -179.697
Base-Backbone interact. energy: -1.587
local terms energy: -276.104634
where:
bonds (distance) C4'-P energy: -64.858
bonds (distance) P-C4' energy: -82.655
flat angles C4'-P-C4' energy: -80.019
flat angles P-C4'-P energy: -36.913
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1572.856902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.856902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.856902 (E_RNA)
where:
Base-Base interactions energy: -1120.029
where: short stacking energy: -458.047
Base-Backbone interact. energy: -2.574
local terms energy: -450.253821
where:
bonds (distance) C4'-P energy: -85.785
bonds (distance) P-C4' energy: -86.976
flat angles C4'-P-C4' energy: -87.349
flat angles P-C4'-P energy: -69.809
tors. eta vs tors. theta energy: -120.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1511.801745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.801745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.801745 (E_RNA)
where:
Base-Base interactions energy: -1059.085
where: short stacking energy: -440.311
Base-Backbone interact. energy: -2.737
local terms energy: -449.979638
where:
bonds (distance) C4'-P energy: -96.290
bonds (distance) P-C4' energy: -79.710
flat angles C4'-P-C4' energy: -91.806
flat angles P-C4'-P energy: -55.255
tors. eta vs tors. theta energy: -126.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1403.346842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.346842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.346842 (E_RNA)
where:
Base-Base interactions energy: -951.014
where: short stacking energy: -423.320
Base-Backbone interact. energy: -1.456
local terms energy: -450.877461
where:
bonds (distance) C4'-P energy: -82.680
bonds (distance) P-C4' energy: -86.876
flat angles C4'-P-C4' energy: -95.008
flat angles P-C4'-P energy: -65.736
tors. eta vs tors. theta energy: -120.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1324.319792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.319792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.319792 (E_RNA)
where:
Base-Base interactions energy: -915.145
where: short stacking energy: -402.445
Base-Backbone interact. energy: -0.828
local terms energy: -408.347012
where:
bonds (distance) C4'-P energy: -73.562
bonds (distance) P-C4' energy: -88.140
flat angles C4'-P-C4' energy: -83.446
flat angles P-C4'-P energy: -66.001
tors. eta vs tors. theta energy: -97.199
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: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1289.036565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.036565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.036565 (E_RNA)
where:
Base-Base interactions energy: -888.543
where: short stacking energy: -392.703
Base-Backbone interact. energy: 0.955
local terms energy: -401.448891
where:
bonds (distance) C4'-P energy: -75.038
bonds (distance) P-C4' energy: -100.789
flat angles C4'-P-C4' energy: -82.530
flat angles P-C4'-P energy: -42.279
tors. eta vs tors. theta energy: -100.814
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: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1135.488935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.488935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.488935 (E_RNA)
where:
Base-Base interactions energy: -751.457
where: short stacking energy: -335.022
Base-Backbone interact. energy: -0.144
local terms energy: -383.888158
where:
bonds (distance) C4'-P energy: -63.508
bonds (distance) P-C4' energy: -100.305
flat angles C4'-P-C4' energy: -87.296
flat angles P-C4'-P energy: -52.840
tors. eta vs tors. theta energy: -79.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1012.843860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.843860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.843860 (E_RNA)
where:
Base-Base interactions energy: -665.901
where: short stacking energy: -295.227
Base-Backbone interact. energy: -2.293
local terms energy: -344.650175
where:
bonds (distance) C4'-P energy: -69.742
bonds (distance) P-C4' energy: -78.369
flat angles C4'-P-C4' energy: -96.700
flat angles P-C4'-P energy: -31.468
tors. eta vs tors. theta energy: -68.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -835.595985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.595985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.595985 (E_RNA)
where:
Base-Base interactions energy: -527.656
where: short stacking energy: -272.518
Base-Backbone interact. energy: 2.201
local terms energy: -310.141330
where:
bonds (distance) C4'-P energy: -66.222
bonds (distance) P-C4' energy: -80.597
flat angles C4'-P-C4' energy: -69.785
flat angles P-C4'-P energy: -53.038
tors. eta vs tors. theta energy: -40.500
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: 172
Temperature: 1.300000
Total energy: -708.133030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.133030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.133030 (E_RNA)
where:
Base-Base interactions energy: -456.739
where: short stacking energy: -225.217
Base-Backbone interact. energy: 1.296
local terms energy: -252.689294
where:
bonds (distance) C4'-P energy: -55.937
bonds (distance) P-C4' energy: -75.649
flat angles C4'-P-C4' energy: -56.886
flat angles P-C4'-P energy: -35.834
tors. eta vs tors. theta energy: -28.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -708.953376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.953376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.953376 (E_RNA)
where:
Base-Base interactions energy: -425.649
where: short stacking energy: -199.664
Base-Backbone interact. energy: 0.163
local terms energy: -283.467170
where:
bonds (distance) C4'-P energy: -77.760
bonds (distance) P-C4' energy: -66.576
flat angles C4'-P-C4' energy: -73.589
flat angles P-C4'-P energy: -34.987
tors. eta vs tors. theta energy: -30.556
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: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1586.001448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.001448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.001448 (E_RNA)
where:
Base-Base interactions energy: -1101.358
where: short stacking energy: -477.807
Base-Backbone interact. energy: -3.676
local terms energy: -480.966647
where:
bonds (distance) C4'-P energy: -95.344
bonds (distance) P-C4' energy: -86.081
flat angles C4'-P-C4' energy: -95.519
flat angles P-C4'-P energy: -72.421
tors. eta vs tors. theta energy: -131.602
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: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1479.132210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.132210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.132210 (E_RNA)
where:
Base-Base interactions energy: -995.646
where: short stacking energy: -437.229
Base-Backbone interact. energy: -1.888
local terms energy: -481.598167
where:
bonds (distance) C4'-P energy: -98.498
bonds (distance) P-C4' energy: -93.242
flat angles C4'-P-C4' energy: -96.130
flat angles P-C4'-P energy: -66.909
tors. eta vs tors. theta energy: -126.819
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: 173
Temperature: 1.000000
Total energy: -1409.665073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.665073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.665073 (E_RNA)
where:
Base-Base interactions energy: -944.264
where: short stacking energy: -407.211
Base-Backbone interact. energy: -3.344
local terms energy: -462.057198
where:
bonds (distance) C4'-P energy: -89.569
bonds (distance) P-C4' energy: -82.100
flat angles C4'-P-C4' energy: -105.385
flat angles P-C4'-P energy: -72.890
tors. eta vs tors. theta energy: -112.113
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: 173
Temperature: 1.050000
Total energy: -1330.724765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.724765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.724765 (E_RNA)
where:
Base-Base interactions energy: -892.986
where: short stacking energy: -392.395
Base-Backbone interact. energy: -0.245
local terms energy: -437.493667
where:
bonds (distance) C4'-P energy: -85.580
bonds (distance) P-C4' energy: -75.713
flat angles C4'-P-C4' energy: -93.636
flat angles P-C4'-P energy: -73.454
tors. eta vs tors. theta energy: -109.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1312.607582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.607582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.607582 (E_RNA)
where:
Base-Base interactions energy: -909.184
where: short stacking energy: -408.484
Base-Backbone interact. energy: -2.787
local terms energy: -400.635743
where:
bonds (distance) C4'-P energy: -74.017
bonds (distance) P-C4' energy: -75.465
flat angles C4'-P-C4' energy: -86.341
flat angles P-C4'-P energy: -56.745
tors. eta vs tors. theta energy: -108.067
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: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1116.163556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.163556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.163556 (E_RNA)
where:
Base-Base interactions energy: -774.180
where: short stacking energy: -345.620
Base-Backbone interact. energy: -1.591
local terms energy: -340.392691
where:
bonds (distance) C4'-P energy: -64.123
bonds (distance) P-C4' energy: -88.051
flat angles C4'-P-C4' energy: -70.953
flat angles P-C4'-P energy: -35.527
tors. eta vs tors. theta energy: -81.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1004.560994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.560994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.560994 (E_RNA)
where:
Base-Base interactions energy: -669.934
where: short stacking energy: -283.107
Base-Backbone interact. energy: -1.851
local terms energy: -332.776561
where:
bonds (distance) C4'-P energy: -78.729
bonds (distance) P-C4' energy: -71.386
flat angles C4'-P-C4' energy: -82.688
flat angles P-C4'-P energy: -47.662
tors. eta vs tors. theta energy: -52.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -845.913820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.913820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.913820 (E_RNA)
where:
Base-Base interactions energy: -513.952
where: short stacking energy: -238.910
Base-Backbone interact. energy: -0.304
local terms energy: -331.658009
where:
bonds (distance) C4'-P energy: -88.360
bonds (distance) P-C4' energy: -71.089
flat angles C4'-P-C4' energy: -84.362
flat angles P-C4'-P energy: -62.131
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -668.997695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.997695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.997695 (E_RNA)
where:
Base-Base interactions energy: -391.335
where: short stacking energy: -172.482
Base-Backbone interact. energy: 0.165
local terms energy: -277.828312
where:
bonds (distance) C4'-P energy: -61.756
bonds (distance) P-C4' energy: -87.551
flat angles C4'-P-C4' energy: -72.518
flat angles P-C4'-P energy: -37.697
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -739.314263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.314263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.314263 (E_RNA)
where:
Base-Base interactions energy: -446.920
where: short stacking energy: -212.655
Base-Backbone interact. energy: -2.579
local terms energy: -289.815622
where:
bonds (distance) C4'-P energy: -72.771
bonds (distance) P-C4' energy: -89.728
flat angles C4'-P-C4' energy: -67.446
flat angles P-C4'-P energy: -31.578
tors. eta vs tors. theta energy: -28.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1560.641157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.641157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.641157 (E_RNA)
where:
Base-Base interactions energy: -1099.620
where: short stacking energy: -448.174
Base-Backbone interact. energy: -0.155
local terms energy: -460.866066
where:
bonds (distance) C4'-P energy: -87.295
bonds (distance) P-C4' energy: -92.079
flat angles C4'-P-C4' energy: -100.574
flat angles P-C4'-P energy: -59.548
tors. eta vs tors. theta energy: -121.370
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: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1483.199380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.199380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.199380 (E_RNA)
where:
Base-Base interactions energy: -1008.170
where: short stacking energy: -431.551
Base-Backbone interact. energy: -2.623
local terms energy: -472.406161
where:
bonds (distance) C4'-P energy: -89.804
bonds (distance) P-C4' energy: -97.515
flat angles C4'-P-C4' energy: -104.671
flat angles P-C4'-P energy: -60.059
tors. eta vs tors. theta energy: -120.356
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: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1423.456991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.456991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.456991 (E_RNA)
where:
Base-Base interactions energy: -965.872
where: short stacking energy: -402.279
Base-Backbone interact. energy: -1.414
local terms energy: -456.171327
where:
bonds (distance) C4'-P energy: -84.389
bonds (distance) P-C4' energy: -94.156
flat angles C4'-P-C4' energy: -91.205
flat angles P-C4'-P energy: -60.591
tors. eta vs tors. theta energy: -125.831
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: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1294.749232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.749232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.749232 (E_RNA)
where:
Base-Base interactions energy: -892.786
where: short stacking energy: -384.815
Base-Backbone interact. energy: -1.824
local terms energy: -400.139617
where:
bonds (distance) C4'-P energy: -73.454
bonds (distance) P-C4' energy: -86.656
flat angles C4'-P-C4' energy: -89.186
flat angles P-C4'-P energy: -55.848
tors. eta vs tors. theta energy: -94.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1306.420324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.420324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.420324 (E_RNA)
where:
Base-Base interactions energy: -923.443
where: short stacking energy: -384.621
Base-Backbone interact. energy: 0.075
local terms energy: -383.052159
where:
bonds (distance) C4'-P energy: -65.734
bonds (distance) P-C4' energy: -77.933
flat angles C4'-P-C4' energy: -98.312
flat angles P-C4'-P energy: -46.536
tors. eta vs tors. theta energy: -94.538
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: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1177.839359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.839359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.839359 (E_RNA)
where:
Base-Base interactions energy: -777.019
where: short stacking energy: -378.085
Base-Backbone interact. energy: 2.672
local terms energy: -403.492390
where:
bonds (distance) C4'-P energy: -73.910
bonds (distance) P-C4' energy: -81.571
flat angles C4'-P-C4' energy: -94.308
flat angles P-C4'-P energy: -64.394
tors. eta vs tors. theta energy: -89.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1007.226575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.226575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.226575 (E_RNA)
where:
Base-Base interactions energy: -656.345
where: short stacking energy: -295.183
Base-Backbone interact. energy: 0.957
local terms energy: -351.838656
where:
bonds (distance) C4'-P energy: -85.951
bonds (distance) P-C4' energy: -86.416
flat angles C4'-P-C4' energy: -64.340
flat angles P-C4'-P energy: -53.423
tors. eta vs tors. theta energy: -61.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -887.068193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.068193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.068193 (E_RNA)
where:
Base-Base interactions energy: -551.076
where: short stacking energy: -263.346
Base-Backbone interact. energy: -0.633
local terms energy: -335.358691
where:
bonds (distance) C4'-P energy: -78.836
bonds (distance) P-C4' energy: -80.555
flat angles C4'-P-C4' energy: -78.153
flat angles P-C4'-P energy: -52.935
tors. eta vs tors. theta energy: -44.880
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: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -681.074347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.074347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.074347 (E_RNA)
where:
Base-Base interactions energy: -410.039
where: short stacking energy: -190.326
Base-Backbone interact. energy: -1.278
local terms energy: -269.756499
where:
bonds (distance) C4'-P energy: -70.097
bonds (distance) P-C4' energy: -87.471
flat angles C4'-P-C4' energy: -82.500
flat angles P-C4'-P energy: -21.466
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: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -724.329421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.329421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.329421 (E_RNA)
where:
Base-Base interactions energy: -441.102
where: short stacking energy: -215.923
Base-Backbone interact. energy: -3.063
local terms energy: -280.163833
where:
bonds (distance) C4'-P energy: -65.788
bonds (distance) P-C4' energy: -70.718
flat angles C4'-P-C4' energy: -68.477
flat angles P-C4'-P energy: -46.050
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1576.875553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.875553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.875553 (E_RNA)
where:
Base-Base interactions energy: -1080.154
where: short stacking energy: -461.506
Base-Backbone interact. energy: -2.327
local terms energy: -494.394490
where:
bonds (distance) C4'-P energy: -100.720
bonds (distance) P-C4' energy: -93.739
flat angles C4'-P-C4' energy: -95.523
flat angles P-C4'-P energy: -70.986
tors. eta vs tors. theta energy: -133.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1462.854219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.854219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.854219 (E_RNA)
where:
Base-Base interactions energy: -977.683
where: short stacking energy: -440.302
Base-Backbone interact. energy: -2.743
local terms energy: -482.427887
where:
bonds (distance) C4'-P energy: -91.208
bonds (distance) P-C4' energy: -92.831
flat angles C4'-P-C4' energy: -104.106
flat angles P-C4'-P energy: -70.562
tors. eta vs tors. theta energy: -123.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1423.689541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.689541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.689541 (E_RNA)
where:
Base-Base interactions energy: -970.311
where: short stacking energy: -418.494
Base-Backbone interact. energy: -2.136
local terms energy: -451.242370
where:
bonds (distance) C4'-P energy: -95.766
bonds (distance) P-C4' energy: -89.929
flat angles C4'-P-C4' energy: -102.817
flat angles P-C4'-P energy: -44.919
tors. eta vs tors. theta energy: -117.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1292.727019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.727019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.727019 (E_RNA)
where:
Base-Base interactions energy: -888.972
where: short stacking energy: -381.535
Base-Backbone interact. energy: -3.834
local terms energy: -399.920911
where:
bonds (distance) C4'-P energy: -70.183
bonds (distance) P-C4' energy: -80.061
flat angles C4'-P-C4' energy: -98.896
flat angles P-C4'-P energy: -58.678
tors. eta vs tors. theta energy: -92.103
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: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1302.227677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.227677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.227677 (E_RNA)
where:
Base-Base interactions energy: -885.178
where: short stacking energy: -370.786
Base-Backbone interact. energy: -1.423
local terms energy: -415.626120
where:
bonds (distance) C4'-P energy: -87.884
bonds (distance) P-C4' energy: -88.929
flat angles C4'-P-C4' energy: -99.696
flat angles P-C4'-P energy: -49.931
tors. eta vs tors. theta energy: -89.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1178.918417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.918417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.918417 (E_RNA)
where:
Base-Base interactions energy: -792.602
where: short stacking energy: -338.371
Base-Backbone interact. energy: -0.718
local terms energy: -385.598945
where:
bonds (distance) C4'-P energy: -83.368
bonds (distance) P-C4' energy: -76.645
flat angles C4'-P-C4' energy: -84.317
flat angles P-C4'-P energy: -51.198
tors. eta vs tors. theta energy: -90.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1030.835173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.835173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.835173 (E_RNA)
where:
Base-Base interactions energy: -671.888
where: short stacking energy: -298.892
Base-Backbone interact. energy: 5.230
local terms energy: -364.177634
where:
bonds (distance) C4'-P energy: -82.138
bonds (distance) P-C4' energy: -75.090
flat angles C4'-P-C4' energy: -95.768
flat angles P-C4'-P energy: -51.910
tors. eta vs tors. theta energy: -59.271
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: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -740.211780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.211780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.211780 (E_RNA)
where:
Base-Base interactions energy: -454.229
where: short stacking energy: -193.858
Base-Backbone interact. energy: -3.137
local terms energy: -282.845137
where:
bonds (distance) C4'-P energy: -70.744
bonds (distance) P-C4' energy: -82.430
flat angles C4'-P-C4' energy: -80.550
flat angles P-C4'-P energy: -43.000
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: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -808.693087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.693087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.693087 (E_RNA)
where:
Base-Base interactions energy: -498.169
where: short stacking energy: -221.380
Base-Backbone interact. energy: -0.506
local terms energy: -310.018416
where:
bonds (distance) C4'-P energy: -82.550
bonds (distance) P-C4' energy: -77.673
flat angles C4'-P-C4' energy: -70.870
flat angles P-C4'-P energy: -46.707
tors. eta vs tors. theta energy: -32.218
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: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -708.433347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.433347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.433347 (E_RNA)
where:
Base-Base interactions energy: -434.763
where: short stacking energy: -196.688
Base-Backbone interact. energy: -1.341
local terms energy: -272.329064
where:
bonds (distance) C4'-P energy: -61.884
bonds (distance) P-C4' energy: -61.999
flat angles C4'-P-C4' energy: -71.607
flat angles P-C4'-P energy: -47.333
tors. eta vs tors. theta energy: -29.506
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: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1561.426723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.426723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.426723 (E_RNA)
where:
Base-Base interactions energy: -1101.149
where: short stacking energy: -461.952
Base-Backbone interact. energy: -3.625
local terms energy: -456.652903
where:
bonds (distance) C4'-P energy: -80.638
bonds (distance) P-C4' energy: -84.920
flat angles C4'-P-C4' energy: -98.608
flat angles P-C4'-P energy: -64.670
tors. eta vs tors. theta energy: -127.817
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: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1463.719649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.719649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.719649 (E_RNA)
where:
Base-Base interactions energy: -990.084
where: short stacking energy: -439.583
Base-Backbone interact. energy: -3.667
local terms energy: -469.968035
where:
bonds (distance) C4'-P energy: -85.257
bonds (distance) P-C4' energy: -94.457
flat angles C4'-P-C4' energy: -106.323
flat angles P-C4'-P energy: -57.029
tors. eta vs tors. theta energy: -126.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1472.721033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.721033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.721033 (E_RNA)
where:
Base-Base interactions energy: -1014.852
where: short stacking energy: -446.211
Base-Backbone interact. energy: -1.242
local terms energy: -456.626931
where:
bonds (distance) C4'-P energy: -78.331
bonds (distance) P-C4' energy: -84.471
flat angles C4'-P-C4' energy: -99.743
flat angles P-C4'-P energy: -71.107
tors. eta vs tors. theta energy: -122.976
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: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1303.247787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.247787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.247787 (E_RNA)
where:
Base-Base interactions energy: -865.252
where: short stacking energy: -400.029
Base-Backbone interact. energy: 1.055
local terms energy: -439.050621
where:
bonds (distance) C4'-P energy: -86.334
bonds (distance) P-C4' energy: -91.553
flat angles C4'-P-C4' energy: -94.360
flat angles P-C4'-P energy: -55.349
tors. eta vs tors. theta energy: -111.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1319.309837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.309837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.309837 (E_RNA)
where:
Base-Base interactions energy: -898.027
where: short stacking energy: -389.842
Base-Backbone interact. energy: -2.423
local terms energy: -418.859774
where:
bonds (distance) C4'-P energy: -84.519
bonds (distance) P-C4' energy: -87.186
flat angles C4'-P-C4' energy: -92.821
flat angles P-C4'-P energy: -56.935
tors. eta vs tors. theta energy: -97.398
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: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1182.458153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.458153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.458153 (E_RNA)
where:
Base-Base interactions energy: -777.572
where: short stacking energy: -337.514
Base-Backbone interact. energy: -0.845
local terms energy: -404.040418
where:
bonds (distance) C4'-P energy: -83.035
bonds (distance) P-C4' energy: -81.615
flat angles C4'-P-C4' energy: -84.469
flat angles P-C4'-P energy: -66.426
tors. eta vs tors. theta energy: -88.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1018.442845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.442845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.442845 (E_RNA)
where:
Base-Base interactions energy: -651.892
where: short stacking energy: -289.848
Base-Backbone interact. energy: -0.496
local terms energy: -366.054833
where:
bonds (distance) C4'-P energy: -84.205
bonds (distance) P-C4' energy: -87.115
flat angles C4'-P-C4' energy: -75.806
flat angles P-C4'-P energy: -53.300
tors. eta vs tors. theta energy: -65.628
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: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -754.703977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.703977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.703977 (E_RNA)
where:
Base-Base interactions energy: -449.138
where: short stacking energy: -194.595
Base-Backbone interact. energy: 1.522
local terms energy: -307.087851
where:
bonds (distance) C4'-P energy: -77.079
bonds (distance) P-C4' energy: -76.396
flat angles C4'-P-C4' energy: -77.460
flat angles P-C4'-P energy: -47.362
tors. eta vs tors. theta energy: -28.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -826.257336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.257336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.257336 (E_RNA)
where:
Base-Base interactions energy: -543.642
where: short stacking energy: -257.791
Base-Backbone interact. energy: -2.003
local terms energy: -280.612682
where:
bonds (distance) C4'-P energy: -73.240
bonds (distance) P-C4' energy: -71.718
flat angles C4'-P-C4' energy: -51.587
flat angles P-C4'-P energy: -36.211
tors. eta vs tors. theta energy: -47.857
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: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -684.484892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.484892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.484892 (E_RNA)
where:
Base-Base interactions energy: -409.581
where: short stacking energy: -198.370
Base-Backbone interact. energy: 1.936
local terms energy: -276.840137
where:
bonds (distance) C4'-P energy: -83.863
bonds (distance) P-C4' energy: -63.710
flat angles C4'-P-C4' energy: -60.503
flat angles P-C4'-P energy: -48.915
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1588.784215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.784215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.784215 (E_RNA)
where:
Base-Base interactions energy: -1111.831
where: short stacking energy: -482.606
Base-Backbone interact. energy: -2.428
local terms energy: -474.525400
where:
bonds (distance) C4'-P energy: -78.170
bonds (distance) P-C4' energy: -95.986
flat angles C4'-P-C4' energy: -97.497
flat angles P-C4'-P energy: -68.997
tors. eta vs tors. theta energy: -133.875
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: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1466.773966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.773966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.773966 (E_RNA)
where:
Base-Base interactions energy: -998.273
where: short stacking energy: -444.348
Base-Backbone interact. energy: 0.475
local terms energy: -468.975764
where:
bonds (distance) C4'-P energy: -87.000
bonds (distance) P-C4' energy: -90.953
flat angles C4'-P-C4' energy: -98.449
flat angles P-C4'-P energy: -63.830
tors. eta vs tors. theta energy: -128.744
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: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1452.242014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.242014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.242014 (E_RNA)
where:
Base-Base interactions energy: -976.792
where: short stacking energy: -443.076
Base-Backbone interact. energy: 1.134
local terms energy: -476.583482
where:
bonds (distance) C4'-P energy: -87.723
bonds (distance) P-C4' energy: -96.018
flat angles C4'-P-C4' energy: -96.516
flat angles P-C4'-P energy: -69.175
tors. eta vs tors. theta energy: -127.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1344.745374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.745374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.745374 (E_RNA)
where:
Base-Base interactions energy: -937.201
where: short stacking energy: -401.944
Base-Backbone interact. energy: 0.065
local terms energy: -407.609124
where:
bonds (distance) C4'-P energy: -74.895
bonds (distance) P-C4' energy: -77.896
flat angles C4'-P-C4' energy: -87.130
flat angles P-C4'-P energy: -62.060
tors. eta vs tors. theta energy: -105.629
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: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1242.847886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.847886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.847886 (E_RNA)
where:
Base-Base interactions energy: -831.934
where: short stacking energy: -381.146
Base-Backbone interact. energy: -0.160
local terms energy: -410.754049
where:
bonds (distance) C4'-P energy: -92.860
bonds (distance) P-C4' energy: -82.299
flat angles C4'-P-C4' energy: -82.964
flat angles P-C4'-P energy: -55.290
tors. eta vs tors. theta energy: -97.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1177.102803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.102803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.102803 (E_RNA)
where:
Base-Base interactions energy: -781.439
where: short stacking energy: -349.190
Base-Backbone interact. energy: -1.328
local terms energy: -394.335536
where:
bonds (distance) C4'-P energy: -71.338
bonds (distance) P-C4' energy: -78.310
flat angles C4'-P-C4' energy: -81.680
flat angles P-C4'-P energy: -62.334
tors. eta vs tors. theta energy: -100.674
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: 177
Temperature: 1.200000
Total energy: -1010.899331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.899331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.899331 (E_RNA)
where:
Base-Base interactions energy: -646.412
where: short stacking energy: -299.418
Base-Backbone interact. energy: -1.575
local terms energy: -362.912857
where:
bonds (distance) C4'-P energy: -75.974
bonds (distance) P-C4' energy: -76.683
flat angles C4'-P-C4' energy: -94.314
flat angles P-C4'-P energy: -57.160
tors. eta vs tors. theta energy: -58.783
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: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -889.808273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.808273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.808273 (E_RNA)
where:
Base-Base interactions energy: -552.115
where: short stacking energy: -249.120
Base-Backbone interact. energy: 2.813
local terms energy: -340.506015
where:
bonds (distance) C4'-P energy: -84.087
bonds (distance) P-C4' energy: -77.087
flat angles C4'-P-C4' energy: -77.291
flat angles P-C4'-P energy: -48.087
tors. eta vs tors. theta energy: -53.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -712.591834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.591834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.591834 (E_RNA)
where:
Base-Base interactions energy: -446.478
where: short stacking energy: -206.869
Base-Backbone interact. energy: 3.492
local terms energy: -269.605555
where:
bonds (distance) C4'-P energy: -64.051
bonds (distance) P-C4' energy: -68.690
flat angles C4'-P-C4' energy: -71.275
flat angles P-C4'-P energy: -51.625
tors. eta vs tors. theta energy: -13.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -656.688928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.688928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.688928 (E_RNA)
where:
Base-Base interactions energy: -394.919
where: short stacking energy: -200.862
Base-Backbone interact. energy: 0.160
local terms energy: -261.929429
where:
bonds (distance) C4'-P energy: -68.019
bonds (distance) P-C4' energy: -84.279
flat angles C4'-P-C4' energy: -69.647
flat angles P-C4'-P energy: -24.264
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1574.800684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.800684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.800684 (E_RNA)
where:
Base-Base interactions energy: -1076.702
where: short stacking energy: -472.511
Base-Backbone interact. energy: -3.086
local terms energy: -495.012055
where:
bonds (distance) C4'-P energy: -95.928
bonds (distance) P-C4' energy: -97.470
flat angles C4'-P-C4' energy: -104.019
flat angles P-C4'-P energy: -59.272
tors. eta vs tors. theta energy: -138.323
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: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1493.570688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.570688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.570688 (E_RNA)
where:
Base-Base interactions energy: -1002.237
where: short stacking energy: -457.919
Base-Backbone interact. energy: 0.044
local terms energy: -491.376935
where:
bonds (distance) C4'-P energy: -84.934
bonds (distance) P-C4' energy: -95.610
flat angles C4'-P-C4' energy: -100.029
flat angles P-C4'-P energy: -82.733
tors. eta vs tors. theta energy: -128.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1485.883141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.883141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.883141 (E_RNA)
where:
Base-Base interactions energy: -1002.582
where: short stacking energy: -446.205
Base-Backbone interact. energy: -0.578
local terms energy: -482.723043
where:
bonds (distance) C4'-P energy: -87.295
bonds (distance) P-C4' energy: -92.454
flat angles C4'-P-C4' energy: -99.169
flat angles P-C4'-P energy: -74.849
tors. eta vs tors. theta energy: -128.956
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: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1391.795939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.795939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.795939 (E_RNA)
where:
Base-Base interactions energy: -970.973
where: short stacking energy: -406.132
Base-Backbone interact. energy: -2.579
local terms energy: -418.243549
where:
bonds (distance) C4'-P energy: -82.061
bonds (distance) P-C4' energy: -90.582
flat angles C4'-P-C4' energy: -99.732
flat angles P-C4'-P energy: -41.174
tors. eta vs tors. theta energy: -104.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1244.938092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.938092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.938092 (E_RNA)
where:
Base-Base interactions energy: -849.798
where: short stacking energy: -389.080
Base-Backbone interact. energy: 6.343
local terms energy: -401.483405
where:
bonds (distance) C4'-P energy: -65.502
bonds (distance) P-C4' energy: -85.715
flat angles C4'-P-C4' energy: -97.774
flat angles P-C4'-P energy: -53.200
tors. eta vs tors. theta energy: -99.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1194.769742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.769742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.769742 (E_RNA)
where:
Base-Base interactions energy: -772.290
where: short stacking energy: -351.755
Base-Backbone interact. energy: 2.030
local terms energy: -424.509460
where:
bonds (distance) C4'-P energy: -84.989
bonds (distance) P-C4' energy: -92.090
flat angles C4'-P-C4' energy: -84.478
flat angles P-C4'-P energy: -67.986
tors. eta vs tors. theta energy: -94.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1041.505666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.505666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.505666 (E_RNA)
where:
Base-Base interactions energy: -696.830
where: short stacking energy: -303.858
Base-Backbone interact. energy: -0.131
local terms energy: -344.544521
where:
bonds (distance) C4'-P energy: -81.893
bonds (distance) P-C4' energy: -78.404
flat angles C4'-P-C4' energy: -84.734
flat angles P-C4'-P energy: -47.371
tors. eta vs tors. theta energy: -52.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -845.015689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.015689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.015689 (E_RNA)
where:
Base-Base interactions energy: -530.008
where: short stacking energy: -238.073
Base-Backbone interact. energy: -1.392
local terms energy: -313.615108
where:
bonds (distance) C4'-P energy: -62.470
bonds (distance) P-C4' energy: -83.272
flat angles C4'-P-C4' energy: -85.696
flat angles P-C4'-P energy: -40.901
tors. eta vs tors. theta energy: -41.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -697.795435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.795435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.795435 (E_RNA)
where:
Base-Base interactions energy: -398.504
where: short stacking energy: -192.598
Base-Backbone interact. energy: -2.299
local terms energy: -296.992200
where:
bonds (distance) C4'-P energy: -85.484
bonds (distance) P-C4' energy: -81.120
flat angles C4'-P-C4' energy: -74.337
flat angles P-C4'-P energy: -49.177
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -674.328172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.328172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.328172 (E_RNA)
where:
Base-Base interactions energy: -410.515
where: short stacking energy: -196.496
Base-Backbone interact. energy: 3.295
local terms energy: -267.107695
where:
bonds (distance) C4'-P energy: -68.568
bonds (distance) P-C4' energy: -69.700
flat angles C4'-P-C4' energy: -75.794
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1549.974326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.974326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.974326 (E_RNA)
where:
Base-Base interactions energy: -1063.435
where: short stacking energy: -468.269
Base-Backbone interact. energy: 0.741
local terms energy: -487.279762
where:
bonds (distance) C4'-P energy: -101.440
bonds (distance) P-C4' energy: -90.845
flat angles C4'-P-C4' energy: -98.009
flat angles P-C4'-P energy: -61.875
tors. eta vs tors. theta energy: -135.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1450.589045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.589045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.589045 (E_RNA)
where:
Base-Base interactions energy: -969.336
where: short stacking energy: -435.613
Base-Backbone interact. energy: -2.400
local terms energy: -478.853549
where:
bonds (distance) C4'-P energy: -84.909
bonds (distance) P-C4' energy: -91.227
flat angles C4'-P-C4' energy: -105.717
flat angles P-C4'-P energy: -69.889
tors. eta vs tors. theta energy: -127.111
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: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1431.228542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.228542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.228542 (E_RNA)
where:
Base-Base interactions energy: -980.653
where: short stacking energy: -437.452
Base-Backbone interact. energy: 0.443
local terms energy: -451.018626
where:
bonds (distance) C4'-P energy: -79.048
bonds (distance) P-C4' energy: -83.786
flat angles C4'-P-C4' energy: -95.554
flat angles P-C4'-P energy: -62.874
tors. eta vs tors. theta energy: -129.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1434.312098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.312098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.312098 (E_RNA)
where:
Base-Base interactions energy: -985.135
where: short stacking energy: -425.612
Base-Backbone interact. energy: 3.858
local terms energy: -453.034470
where:
bonds (distance) C4'-P energy: -87.920
bonds (distance) P-C4' energy: -90.584
flat angles C4'-P-C4' energy: -100.134
flat angles P-C4'-P energy: -63.765
tors. eta vs tors. theta energy: -110.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1226.661963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.661963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.661963 (E_RNA)
where:
Base-Base interactions energy: -808.844
where: short stacking energy: -362.427
Base-Backbone interact. energy: -0.570
local terms energy: -417.247863
where:
bonds (distance) C4'-P energy: -91.312
bonds (distance) P-C4' energy: -80.790
flat angles C4'-P-C4' energy: -96.055
flat angles P-C4'-P energy: -53.289
tors. eta vs tors. theta energy: -95.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1222.669662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.669662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.669662 (E_RNA)
where:
Base-Base interactions energy: -803.103
where: short stacking energy: -382.151
Base-Backbone interact. energy: -2.607
local terms energy: -416.959453
where:
bonds (distance) C4'-P energy: -84.304
bonds (distance) P-C4' energy: -72.615
flat angles C4'-P-C4' energy: -91.496
flat angles P-C4'-P energy: -66.009
tors. eta vs tors. theta energy: -102.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1042.287024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.287024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.287024 (E_RNA)
where:
Base-Base interactions energy: -677.480
where: short stacking energy: -306.848
Base-Backbone interact. energy: -1.063
local terms energy: -363.744105
where:
bonds (distance) C4'-P energy: -81.418
bonds (distance) P-C4' energy: -77.745
flat angles C4'-P-C4' energy: -85.717
flat angles P-C4'-P energy: -58.673
tors. eta vs tors. theta energy: -60.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -862.863980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.863980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.863980 (E_RNA)
where:
Base-Base interactions energy: -524.206
where: short stacking energy: -236.280
Base-Backbone interact. energy: -1.638
local terms energy: -337.019977
where:
bonds (distance) C4'-P energy: -86.006
bonds (distance) P-C4' energy: -90.816
flat angles C4'-P-C4' energy: -67.466
flat angles P-C4'-P energy: -51.272
tors. eta vs tors. theta energy: -41.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -746.565976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.565976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.565976 (E_RNA)
where:
Base-Base interactions energy: -428.188
where: short stacking energy: -213.041
Base-Backbone interact. energy: -0.231
local terms energy: -318.147353
where:
bonds (distance) C4'-P energy: -73.445
bonds (distance) P-C4' energy: -70.578
flat angles C4'-P-C4' energy: -71.383
flat angles P-C4'-P energy: -67.838
tors. eta vs tors. theta energy: -34.904
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: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -700.286042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.286042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.286042 (E_RNA)
where:
Base-Base interactions energy: -424.142
where: short stacking energy: -214.192
Base-Backbone interact. energy: 0.619
local terms energy: -276.763322
where:
bonds (distance) C4'-P energy: -62.545
bonds (distance) P-C4' energy: -79.428
flat angles C4'-P-C4' energy: -67.890
flat angles P-C4'-P energy: -32.019
tors. eta vs tors. theta energy: -34.881
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: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1544.932644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.932644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.932644 (E_RNA)
where:
Base-Base interactions energy: -1079.085
where: short stacking energy: -456.206
Base-Backbone interact. energy: -1.763
local terms energy: -464.084520
where:
bonds (distance) C4'-P energy: -85.799
bonds (distance) P-C4' energy: -89.890
flat angles C4'-P-C4' energy: -99.553
flat angles P-C4'-P energy: -64.053
tors. eta vs tors. theta energy: -124.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1437.454454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.454454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.454454 (E_RNA)
where:
Base-Base interactions energy: -952.446
where: short stacking energy: -438.683
Base-Backbone interact. energy: -1.874
local terms energy: -483.134002
where:
bonds (distance) C4'-P energy: -90.398
bonds (distance) P-C4' energy: -102.567
flat angles C4'-P-C4' energy: -106.264
flat angles P-C4'-P energy: -61.454
tors. eta vs tors. theta energy: -122.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1439.214558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.214558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.214558 (E_RNA)
where:
Base-Base interactions energy: -986.803
where: short stacking energy: -407.012
Base-Backbone interact. energy: -2.936
local terms energy: -449.475509
where:
bonds (distance) C4'-P energy: -83.992
bonds (distance) P-C4' energy: -97.617
flat angles C4'-P-C4' energy: -105.914
flat angles P-C4'-P energy: -61.593
tors. eta vs tors. theta energy: -100.361
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: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1377.010172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.010172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.010172 (E_RNA)
where:
Base-Base interactions energy: -963.577
where: short stacking energy: -397.229
Base-Backbone interact. energy: -4.122
local terms energy: -409.311899
where:
bonds (distance) C4'-P energy: -73.612
bonds (distance) P-C4' energy: -71.722
flat angles C4'-P-C4' energy: -91.015
flat angles P-C4'-P energy: -57.875
tors. eta vs tors. theta energy: -115.088
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: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1268.725489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.725489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.725489 (E_RNA)
where:
Base-Base interactions energy: -850.808
where: short stacking energy: -382.306
Base-Backbone interact. energy: -1.473
local terms energy: -416.444247
where:
bonds (distance) C4'-P energy: -77.232
bonds (distance) P-C4' energy: -95.098
flat angles C4'-P-C4' energy: -77.012
flat angles P-C4'-P energy: -54.249
tors. eta vs tors. theta energy: -112.853
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: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1208.898571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.898571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.898571 (E_RNA)
where:
Base-Base interactions energy: -794.276
where: short stacking energy: -363.459
Base-Backbone interact. energy: 0.313
local terms energy: -414.935745
where:
bonds (distance) C4'-P energy: -82.716
bonds (distance) P-C4' energy: -86.532
flat angles C4'-P-C4' energy: -90.462
flat angles P-C4'-P energy: -57.092
tors. eta vs tors. theta energy: -98.134
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: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1044.237295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.237295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.237295 (E_RNA)
where:
Base-Base interactions energy: -689.398
where: short stacking energy: -308.590
Base-Backbone interact. energy: -0.164
local terms energy: -354.675527
where:
bonds (distance) C4'-P energy: -66.803
bonds (distance) P-C4' energy: -74.048
flat angles C4'-P-C4' energy: -92.489
flat angles P-C4'-P energy: -50.977
tors. eta vs tors. theta energy: -70.358
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: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -860.755494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.755494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.755494 (E_RNA)
where:
Base-Base interactions energy: -552.456
where: short stacking energy: -257.442
Base-Backbone interact. energy: -0.858
local terms energy: -307.440944
where:
bonds (distance) C4'-P energy: -70.592
bonds (distance) P-C4' energy: -77.427
flat angles C4'-P-C4' energy: -70.159
flat angles P-C4'-P energy: -43.586
tors. eta vs tors. theta energy: -45.677
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: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -755.352815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.352815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.352815 (E_RNA)
where:
Base-Base interactions energy: -463.420
where: short stacking energy: -217.229
Base-Backbone interact. energy: 3.863
local terms energy: -295.795626
where:
bonds (distance) C4'-P energy: -80.873
bonds (distance) P-C4' energy: -78.136
flat angles C4'-P-C4' energy: -73.066
flat angles P-C4'-P energy: -41.392
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -701.603776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.603776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.603776 (E_RNA)
where:
Base-Base interactions energy: -418.764
where: short stacking energy: -210.189
Base-Backbone interact. energy: 1.053
local terms energy: -283.892655
where:
bonds (distance) C4'-P energy: -60.299
bonds (distance) P-C4' energy: -91.660
flat angles C4'-P-C4' energy: -49.647
flat angles P-C4'-P energy: -55.131
tors. eta vs tors. theta energy: -27.154
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: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1551.870148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.870148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.870148 (E_RNA)
where:
Base-Base interactions energy: -1096.614
where: short stacking energy: -462.064
Base-Backbone interact. energy: -0.898
local terms energy: -454.357402
where:
bonds (distance) C4'-P energy: -69.849
bonds (distance) P-C4' energy: -92.198
flat angles C4'-P-C4' energy: -97.124
flat angles P-C4'-P energy: -68.414
tors. eta vs tors. theta energy: -126.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1479.087843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.087843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.087843 (E_RNA)
where:
Base-Base interactions energy: -1012.210
where: short stacking energy: -450.286
Base-Backbone interact. energy: 0.192
local terms energy: -467.070566
where:
bonds (distance) C4'-P energy: -87.520
bonds (distance) P-C4' energy: -87.136
flat angles C4'-P-C4' energy: -100.239
flat angles P-C4'-P energy: -63.490
tors. eta vs tors. theta energy: -128.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1454.967353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.967353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.967353 (E_RNA)
where:
Base-Base interactions energy: -1010.765
where: short stacking energy: -429.078
Base-Backbone interact. energy: -2.386
local terms energy: -441.815805
where:
bonds (distance) C4'-P energy: -91.456
bonds (distance) P-C4' energy: -90.342
flat angles C4'-P-C4' energy: -98.018
flat angles P-C4'-P energy: -51.353
tors. eta vs tors. theta energy: -110.647
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: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1300.936791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.936791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.936791 (E_RNA)
where:
Base-Base interactions energy: -876.765
where: short stacking energy: -380.772
Base-Backbone interact. energy: -3.608
local terms energy: -420.563878
where:
bonds (distance) C4'-P energy: -87.270
bonds (distance) P-C4' energy: -87.881
flat angles C4'-P-C4' energy: -87.044
flat angles P-C4'-P energy: -58.918
tors. eta vs tors. theta energy: -99.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1306.251191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.251191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.251191 (E_RNA)
where:
Base-Base interactions energy: -863.413
where: short stacking energy: -382.445
Base-Backbone interact. energy: -0.554
local terms energy: -442.284196
where:
bonds (distance) C4'-P energy: -93.957
bonds (distance) P-C4' energy: -82.117
flat angles C4'-P-C4' energy: -94.440
flat angles P-C4'-P energy: -68.324
tors. eta vs tors. theta energy: -103.447
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: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1226.515842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.515842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.515842 (E_RNA)
where:
Base-Base interactions energy: -823.940
where: short stacking energy: -379.984
Base-Backbone interact. energy: 3.617
local terms energy: -406.192812
where:
bonds (distance) C4'-P energy: -82.774
bonds (distance) P-C4' energy: -88.913
flat angles C4'-P-C4' energy: -83.929
flat angles P-C4'-P energy: -60.981
tors. eta vs tors. theta energy: -89.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1033.589621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.589621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.589621 (E_RNA)
where:
Base-Base interactions energy: -673.495
where: short stacking energy: -296.358
Base-Backbone interact. energy: -0.467
local terms energy: -359.627888
where:
bonds (distance) C4'-P energy: -75.278
bonds (distance) P-C4' energy: -92.334
flat angles C4'-P-C4' energy: -79.750
flat angles P-C4'-P energy: -43.011
tors. eta vs tors. theta energy: -69.256
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: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -915.252458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.252458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.252458 (E_RNA)
where:
Base-Base interactions energy: -592.839
where: short stacking energy: -284.322
Base-Backbone interact. energy: -1.627
local terms energy: -320.786093
where:
bonds (distance) C4'-P energy: -68.637
bonds (distance) P-C4' energy: -64.107
flat angles C4'-P-C4' energy: -74.243
flat angles P-C4'-P energy: -49.784
tors. eta vs tors. theta energy: -64.016
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: 181
Temperature: 1.300000
Total energy: -726.908793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.908793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.908793 (E_RNA)
where:
Base-Base interactions energy: -432.713
where: short stacking energy: -218.505
Base-Backbone interact. energy: 4.390
local terms energy: -298.585728
where:
bonds (distance) C4'-P energy: -75.934
bonds (distance) P-C4' energy: -76.036
flat angles C4'-P-C4' energy: -75.784
flat angles P-C4'-P energy: -46.699
tors. eta vs tors. theta energy: -24.133
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: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -671.346731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.346731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.346731 (E_RNA)
where:
Base-Base interactions energy: -401.231
where: short stacking energy: -194.545
Base-Backbone interact. energy: 1.759
local terms energy: -271.875100
where:
bonds (distance) C4'-P energy: -82.281
bonds (distance) P-C4' energy: -75.546
flat angles C4'-P-C4' energy: -62.446
flat angles P-C4'-P energy: -32.660
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1558.000053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.000053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.000053 (E_RNA)
where:
Base-Base interactions energy: -1104.994
where: short stacking energy: -457.618
Base-Backbone interact. energy: -1.726
local terms energy: -451.279556
where:
bonds (distance) C4'-P energy: -84.823
bonds (distance) P-C4' energy: -86.433
flat angles C4'-P-C4' energy: -102.044
flat angles P-C4'-P energy: -57.480
tors. eta vs tors. theta energy: -120.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1431.677361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.677361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.677361 (E_RNA)
where:
Base-Base interactions energy: -970.087
where: short stacking energy: -432.731
Base-Backbone interact. energy: -0.672
local terms energy: -460.918606
where:
bonds (distance) C4'-P energy: -83.612
bonds (distance) P-C4' energy: -89.500
flat angles C4'-P-C4' energy: -104.878
flat angles P-C4'-P energy: -63.825
tors. eta vs tors. theta energy: -119.104
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: 182
Temperature: 1.000000
Total energy: -1428.032359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.032359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.032359 (E_RNA)
where:
Base-Base interactions energy: -994.259
where: short stacking energy: -422.145
Base-Backbone interact. energy: -2.372
local terms energy: -431.400942
where:
bonds (distance) C4'-P energy: -82.532
bonds (distance) P-C4' energy: -89.348
flat angles C4'-P-C4' energy: -99.621
flat angles P-C4'-P energy: -53.250
tors. eta vs tors. theta energy: -106.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1300.348115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.348115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.348115 (E_RNA)
where:
Base-Base interactions energy: -888.045
where: short stacking energy: -397.536
Base-Backbone interact. energy: -2.737
local terms energy: -409.565738
where:
bonds (distance) C4'-P energy: -81.838
bonds (distance) P-C4' energy: -76.946
flat angles C4'-P-C4' energy: -98.816
flat angles P-C4'-P energy: -52.373
tors. eta vs tors. theta energy: -99.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1347.607123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.607123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.607123 (E_RNA)
where:
Base-Base interactions energy: -917.138
where: short stacking energy: -397.378
Base-Backbone interact. energy: -3.187
local terms energy: -427.281855
where:
bonds (distance) C4'-P energy: -75.619
bonds (distance) P-C4' energy: -81.146
flat angles C4'-P-C4' energy: -95.440
flat angles P-C4'-P energy: -64.547
tors. eta vs tors. theta energy: -110.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1217.283826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.283826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.283826 (E_RNA)
where:
Base-Base interactions energy: -815.974
where: short stacking energy: -368.533
Base-Backbone interact. energy: 3.473
local terms energy: -404.783644
where:
bonds (distance) C4'-P energy: -87.277
bonds (distance) P-C4' energy: -80.312
flat angles C4'-P-C4' energy: -90.492
flat angles P-C4'-P energy: -55.667
tors. eta vs tors. theta energy: -91.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1028.651069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.651069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.651069 (E_RNA)
where:
Base-Base interactions energy: -667.808
where: short stacking energy: -302.800
Base-Backbone interact. energy: -1.011
local terms energy: -359.832012
where:
bonds (distance) C4'-P energy: -73.445
bonds (distance) P-C4' energy: -82.435
flat angles C4'-P-C4' energy: -86.308
flat angles P-C4'-P energy: -50.832
tors. eta vs tors. theta energy: -66.813
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: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -867.538642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.538642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.538642 (E_RNA)
where:
Base-Base interactions energy: -548.034
where: short stacking energy: -238.497
Base-Backbone interact. energy: -0.235
local terms energy: -319.269108
where:
bonds (distance) C4'-P energy: -69.848
bonds (distance) P-C4' energy: -79.188
flat angles C4'-P-C4' energy: -75.206
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -52.783
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: 182
Temperature: 1.300000
Total energy: -755.153663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.153663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.153663 (E_RNA)
where:
Base-Base interactions energy: -453.932
where: short stacking energy: -205.990
Base-Backbone interact. energy: -2.776
local terms energy: -298.445244
where:
bonds (distance) C4'-P energy: -88.405
bonds (distance) P-C4' energy: -72.839
flat angles C4'-P-C4' energy: -86.332
flat angles P-C4'-P energy: -36.849
tors. eta vs tors. theta energy: -14.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -688.029585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.029585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.029585 (E_RNA)
where:
Base-Base interactions energy: -404.189
where: short stacking energy: -195.053
Base-Backbone interact. energy: -1.988
local terms energy: -281.852929
where:
bonds (distance) C4'-P energy: -55.268
bonds (distance) P-C4' energy: -80.022
flat angles C4'-P-C4' energy: -63.295
flat angles P-C4'-P energy: -46.033
tors. eta vs tors. theta energy: -37.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1595.188315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.188315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.188315 (E_RNA)
where:
Base-Base interactions energy: -1121.130
where: short stacking energy: -465.500
Base-Backbone interact. energy: -2.780
local terms energy: -471.277442
where:
bonds (distance) C4'-P energy: -92.016
bonds (distance) P-C4' energy: -89.269
flat angles C4'-P-C4' energy: -98.857
flat angles P-C4'-P energy: -64.270
tors. eta vs tors. theta energy: -126.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1464.274132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.274132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.274132 (E_RNA)
where:
Base-Base interactions energy: -990.051
where: short stacking energy: -439.049
Base-Backbone interact. energy: -2.942
local terms energy: -471.281167
where:
bonds (distance) C4'-P energy: -92.166
bonds (distance) P-C4' energy: -90.252
flat angles C4'-P-C4' energy: -100.029
flat angles P-C4'-P energy: -67.637
tors. eta vs tors. theta energy: -121.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1400.846297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.846297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.846297 (E_RNA)
where:
Base-Base interactions energy: -938.373
where: short stacking energy: -397.769
Base-Backbone interact. energy: -3.854
local terms energy: -458.618493
where:
bonds (distance) C4'-P energy: -93.078
bonds (distance) P-C4' energy: -96.361
flat angles C4'-P-C4' energy: -103.227
flat angles P-C4'-P energy: -60.691
tors. eta vs tors. theta energy: -105.262
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: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1368.074153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.074153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.074153 (E_RNA)
where:
Base-Base interactions energy: -953.376
where: short stacking energy: -424.835
Base-Backbone interact. energy: -1.375
local terms energy: -413.323221
where:
bonds (distance) C4'-P energy: -69.770
bonds (distance) P-C4' energy: -94.782
flat angles C4'-P-C4' energy: -83.530
flat angles P-C4'-P energy: -48.145
tors. eta vs tors. theta energy: -117.096
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: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1242.482600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.482600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.482600 (E_RNA)
where:
Base-Base interactions energy: -827.753
where: short stacking energy: -364.469
Base-Backbone interact. energy: -1.273
local terms energy: -413.457061
where:
bonds (distance) C4'-P energy: -76.350
bonds (distance) P-C4' energy: -88.774
flat angles C4'-P-C4' energy: -89.884
flat angles P-C4'-P energy: -54.689
tors. eta vs tors. theta energy: -103.760
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: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1194.728342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.728342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.728342 (E_RNA)
where:
Base-Base interactions energy: -790.018
where: short stacking energy: -370.807
Base-Backbone interact. energy: 1.010
local terms energy: -405.720762
where:
bonds (distance) C4'-P energy: -77.824
bonds (distance) P-C4' energy: -93.073
flat angles C4'-P-C4' energy: -86.203
flat angles P-C4'-P energy: -54.067
tors. eta vs tors. theta energy: -94.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1048.252715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.252715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.252715 (E_RNA)
where:
Base-Base interactions energy: -674.518
where: short stacking energy: -296.991
Base-Backbone interact. energy: -2.132
local terms energy: -371.603329
where:
bonds (distance) C4'-P energy: -76.089
bonds (distance) P-C4' energy: -89.213
flat angles C4'-P-C4' energy: -80.804
flat angles P-C4'-P energy: -52.003
tors. eta vs tors. theta energy: -73.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -904.121894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.121894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.121894 (E_RNA)
where:
Base-Base interactions energy: -580.430
where: short stacking energy: -265.259
Base-Backbone interact. energy: -2.628
local terms energy: -321.063420
where:
bonds (distance) C4'-P energy: -83.143
bonds (distance) P-C4' energy: -67.332
flat angles C4'-P-C4' energy: -68.070
flat angles P-C4'-P energy: -42.734
tors. eta vs tors. theta energy: -59.784
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: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -784.877372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.877372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.877372 (E_RNA)
where:
Base-Base interactions energy: -466.964
where: short stacking energy: -208.399
Base-Backbone interact. energy: 0.340
local terms energy: -318.253329
where:
bonds (distance) C4'-P energy: -79.446
bonds (distance) P-C4' energy: -73.171
flat angles C4'-P-C4' energy: -75.341
flat angles P-C4'-P energy: -58.796
tors. eta vs tors. theta energy: -31.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -676.404565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.404565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.404565 (E_RNA)
where:
Base-Base interactions energy: -420.564
where: short stacking energy: -177.905
Base-Backbone interact. energy: 0.042
local terms energy: -255.881892
where:
bonds (distance) C4'-P energy: -76.039
bonds (distance) P-C4' energy: -75.019
flat angles C4'-P-C4' energy: -50.157
flat angles P-C4'-P energy: -38.931
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: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1590.867686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.867686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.867686 (E_RNA)
where:
Base-Base interactions energy: -1095.944
where: short stacking energy: -468.603
Base-Backbone interact. energy: -2.895
local terms energy: -492.029183
where:
bonds (distance) C4'-P energy: -105.670
bonds (distance) P-C4' energy: -97.932
flat angles C4'-P-C4' energy: -102.447
flat angles P-C4'-P energy: -57.954
tors. eta vs tors. theta energy: -128.026
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: 184
Temperature: 0.950000
Total energy: -1442.246979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.246979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.246979 (E_RNA)
where:
Base-Base interactions energy: -996.021
where: short stacking energy: -417.001
Base-Backbone interact. energy: 0.149
local terms energy: -446.375056
where:
bonds (distance) C4'-P energy: -79.078
bonds (distance) P-C4' energy: -97.045
flat angles C4'-P-C4' energy: -99.483
flat angles P-C4'-P energy: -61.431
tors. eta vs tors. theta energy: -109.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1427.655904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.655904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.655904 (E_RNA)
where:
Base-Base interactions energy: -980.698
where: short stacking energy: -422.165
Base-Backbone interact. energy: -0.829
local terms energy: -446.129328
where:
bonds (distance) C4'-P energy: -87.083
bonds (distance) P-C4' energy: -93.774
flat angles C4'-P-C4' energy: -95.011
flat angles P-C4'-P energy: -69.023
tors. eta vs tors. theta energy: -101.238
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: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1388.473110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.473110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.473110 (E_RNA)
where:
Base-Base interactions energy: -947.886
where: short stacking energy: -430.637
Base-Backbone interact. energy: 0.983
local terms energy: -441.570340
where:
bonds (distance) C4'-P energy: -80.993
bonds (distance) P-C4' energy: -82.608
flat angles C4'-P-C4' energy: -95.546
flat angles P-C4'-P energy: -63.341
tors. eta vs tors. theta energy: -119.082
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: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1260.919212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.919212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.919212 (E_RNA)
where:
Base-Base interactions energy: -859.332
where: short stacking energy: -369.844
Base-Backbone interact. energy: -1.203
local terms energy: -400.384335
where:
bonds (distance) C4'-P energy: -75.559
bonds (distance) P-C4' energy: -76.119
flat angles C4'-P-C4' energy: -93.128
flat angles P-C4'-P energy: -55.301
tors. eta vs tors. theta energy: -100.278
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: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1196.974961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.974961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.974961 (E_RNA)
where:
Base-Base interactions energy: -785.051
where: short stacking energy: -351.107
Base-Backbone interact. energy: -0.811
local terms energy: -411.112923
where:
bonds (distance) C4'-P energy: -78.218
bonds (distance) P-C4' energy: -79.307
flat angles C4'-P-C4' energy: -100.524
flat angles P-C4'-P energy: -52.510
tors. eta vs tors. theta energy: -100.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1074.550626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.550626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.550626 (E_RNA)
where:
Base-Base interactions energy: -708.010
where: short stacking energy: -313.402
Base-Backbone interact. energy: 0.599
local terms energy: -367.139114
where:
bonds (distance) C4'-P energy: -72.185
bonds (distance) P-C4' energy: -86.187
flat angles C4'-P-C4' energy: -82.010
flat angles P-C4'-P energy: -60.043
tors. eta vs tors. theta energy: -66.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -888.092480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.092480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.092480 (E_RNA)
where:
Base-Base interactions energy: -556.202
where: short stacking energy: -261.397
Base-Backbone interact. energy: -1.380
local terms energy: -330.510624
where:
bonds (distance) C4'-P energy: -82.633
bonds (distance) P-C4' energy: -77.044
flat angles C4'-P-C4' energy: -74.434
flat angles P-C4'-P energy: -43.516
tors. eta vs tors. theta energy: -52.884
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: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -817.171671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.171671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.171671 (E_RNA)
where:
Base-Base interactions energy: -513.626
where: short stacking energy: -261.664
Base-Backbone interact. energy: 3.919
local terms energy: -307.464327
where:
bonds (distance) C4'-P energy: -67.537
bonds (distance) P-C4' energy: -90.123
flat angles C4'-P-C4' energy: -60.619
flat angles P-C4'-P energy: -45.567
tors. eta vs tors. theta energy: -43.618
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: 184
Temperature: 1.350000
Total energy: -740.960680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.960680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.960680 (E_RNA)
where:
Base-Base interactions energy: -454.482
where: short stacking energy: -212.108
Base-Backbone interact. energy: -2.214
local terms energy: -284.264531
where:
bonds (distance) C4'-P energy: -69.608
bonds (distance) P-C4' energy: -77.602
flat angles C4'-P-C4' energy: -56.142
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -38.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1563.486152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.486152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.486152 (E_RNA)
where:
Base-Base interactions energy: -1091.332
where: short stacking energy: -447.294
Base-Backbone interact. energy: -1.999
local terms energy: -470.155861
where:
bonds (distance) C4'-P energy: -84.324
bonds (distance) P-C4' energy: -97.842
flat angles C4'-P-C4' energy: -99.767
flat angles P-C4'-P energy: -71.990
tors. eta vs tors. theta energy: -116.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1428.718533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.718533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.718533 (E_RNA)
where:
Base-Base interactions energy: -968.577
where: short stacking energy: -422.374
Base-Backbone interact. energy: -0.480
local terms energy: -459.661121
where:
bonds (distance) C4'-P energy: -88.479
bonds (distance) P-C4' energy: -91.053
flat angles C4'-P-C4' energy: -105.798
flat angles P-C4'-P energy: -60.122
tors. eta vs tors. theta energy: -114.210
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: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1396.992886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.992886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.992886 (E_RNA)
where:
Base-Base interactions energy: -935.392
where: short stacking energy: -410.063
Base-Backbone interact. energy: -5.184
local terms energy: -456.416757
where:
bonds (distance) C4'-P energy: -86.512
bonds (distance) P-C4' energy: -99.114
flat angles C4'-P-C4' energy: -101.877
flat angles P-C4'-P energy: -60.960
tors. eta vs tors. theta energy: -107.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1364.509852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.509852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.509852 (E_RNA)
where:
Base-Base interactions energy: -916.260
where: short stacking energy: -408.215
Base-Backbone interact. energy: -2.266
local terms energy: -445.984068
where:
bonds (distance) C4'-P energy: -82.685
bonds (distance) P-C4' energy: -74.734
flat angles C4'-P-C4' energy: -102.193
flat angles P-C4'-P energy: -64.737
tors. eta vs tors. theta energy: -121.634
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: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1240.631760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.631760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.631760 (E_RNA)
where:
Base-Base interactions energy: -834.847
where: short stacking energy: -357.714
Base-Backbone interact. energy: -0.073
local terms energy: -405.711647
where:
bonds (distance) C4'-P energy: -87.445
bonds (distance) P-C4' energy: -94.670
flat angles C4'-P-C4' energy: -91.072
flat angles P-C4'-P energy: -45.760
tors. eta vs tors. theta energy: -86.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1196.903989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.903989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.903989 (E_RNA)
where:
Base-Base interactions energy: -783.481
where: short stacking energy: -366.068
Base-Backbone interact. energy: -2.230
local terms energy: -411.193061
where:
bonds (distance) C4'-P energy: -80.946
bonds (distance) P-C4' energy: -93.514
flat angles C4'-P-C4' energy: -86.541
flat angles P-C4'-P energy: -53.996
tors. eta vs tors. theta energy: -96.197
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: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1039.707110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.707110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.707110 (E_RNA)
where:
Base-Base interactions energy: -688.634
where: short stacking energy: -315.633
Base-Backbone interact. energy: 0.410
local terms energy: -351.482293
where:
bonds (distance) C4'-P energy: -76.783
bonds (distance) P-C4' energy: -82.907
flat angles C4'-P-C4' energy: -85.507
flat angles P-C4'-P energy: -40.868
tors. eta vs tors. theta energy: -65.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -868.463276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.463276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.463276 (E_RNA)
where:
Base-Base interactions energy: -547.363
where: short stacking energy: -262.331
Base-Backbone interact. energy: 6.465
local terms energy: -327.565218
where:
bonds (distance) C4'-P energy: -80.571
bonds (distance) P-C4' energy: -86.097
flat angles C4'-P-C4' energy: -85.157
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -32.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -770.945016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.945016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.945016 (E_RNA)
where:
Base-Base interactions energy: -457.738
where: short stacking energy: -215.963
Base-Backbone interact. energy: -1.281
local terms energy: -311.925475
where:
bonds (distance) C4'-P energy: -82.937
bonds (distance) P-C4' energy: -76.876
flat angles C4'-P-C4' energy: -91.453
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -32.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -700.618375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.618375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.618375 (E_RNA)
where:
Base-Base interactions energy: -408.772
where: short stacking energy: -200.095
Base-Backbone interact. energy: 2.784
local terms energy: -294.629699
where:
bonds (distance) C4'-P energy: -78.118
bonds (distance) P-C4' energy: -85.165
flat angles C4'-P-C4' energy: -70.924
flat angles P-C4'-P energy: -47.248
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: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1564.530378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.530378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.530378 (E_RNA)
where:
Base-Base interactions energy: -1095.999
where: short stacking energy: -451.138
Base-Backbone interact. energy: -1.642
local terms energy: -466.889120
where:
bonds (distance) C4'-P energy: -92.935
bonds (distance) P-C4' energy: -97.017
flat angles C4'-P-C4' energy: -97.011
flat angles P-C4'-P energy: -60.567
tors. eta vs tors. theta energy: -119.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1403.956530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.956530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.956530 (E_RNA)
where:
Base-Base interactions energy: -947.885
where: short stacking energy: -415.511
Base-Backbone interact. energy: -2.958
local terms energy: -453.113697
where:
bonds (distance) C4'-P energy: -90.174
bonds (distance) P-C4' energy: -100.623
flat angles C4'-P-C4' energy: -87.055
flat angles P-C4'-P energy: -68.488
tors. eta vs tors. theta energy: -106.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1436.053885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.053885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.053885 (E_RNA)
where:
Base-Base interactions energy: -998.371
where: short stacking energy: -430.145
Base-Backbone interact. energy: 1.316
local terms energy: -438.999420
where:
bonds (distance) C4'-P energy: -71.942
bonds (distance) P-C4' energy: -88.676
flat angles C4'-P-C4' energy: -95.115
flat angles P-C4'-P energy: -69.520
tors. eta vs tors. theta energy: -113.747
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: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1353.821459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.821459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.821459 (E_RNA)
where:
Base-Base interactions energy: -933.002
where: short stacking energy: -398.784
Base-Backbone interact. energy: 4.972
local terms energy: -425.792089
where:
bonds (distance) C4'-P energy: -88.973
bonds (distance) P-C4' energy: -84.237
flat angles C4'-P-C4' energy: -91.401
flat angles P-C4'-P energy: -70.129
tors. eta vs tors. theta energy: -91.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1260.679245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.679245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.679245 (E_RNA)
where:
Base-Base interactions energy: -837.761
where: short stacking energy: -371.879
Base-Backbone interact. energy: -1.499
local terms energy: -421.418862
where:
bonds (distance) C4'-P energy: -84.607
bonds (distance) P-C4' energy: -92.065
flat angles C4'-P-C4' energy: -85.171
flat angles P-C4'-P energy: -60.155
tors. eta vs tors. theta energy: -99.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1183.255674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.255674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.255674 (E_RNA)
where:
Base-Base interactions energy: -790.748
where: short stacking energy: -325.187
Base-Backbone interact. energy: 1.519
local terms energy: -394.027016
where:
bonds (distance) C4'-P energy: -63.659
bonds (distance) P-C4' energy: -88.460
flat angles C4'-P-C4' energy: -97.700
flat angles P-C4'-P energy: -57.840
tors. eta vs tors. theta energy: -86.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1052.795770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.795770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.795770 (E_RNA)
where:
Base-Base interactions energy: -666.464
where: short stacking energy: -296.102
Base-Backbone interact. energy: 7.222
local terms energy: -393.554391
where:
bonds (distance) C4'-P energy: -79.986
bonds (distance) P-C4' energy: -87.126
flat angles C4'-P-C4' energy: -88.739
flat angles P-C4'-P energy: -63.522
tors. eta vs tors. theta energy: -74.181
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: 5
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -948.032028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.032028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.032028 (E_RNA)
where:
Base-Base interactions energy: -587.773
where: short stacking energy: -268.851
Base-Backbone interact. energy: -2.690
local terms energy: -357.569090
where:
bonds (distance) C4'-P energy: -76.848
bonds (distance) P-C4' energy: -72.459
flat angles C4'-P-C4' energy: -85.947
flat angles P-C4'-P energy: -59.565
tors. eta vs tors. theta energy: -62.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -781.103855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.103855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.103855 (E_RNA)
where:
Base-Base interactions energy: -471.588
where: short stacking energy: -204.567
Base-Backbone interact. energy: 2.937
local terms energy: -312.452542
where:
bonds (distance) C4'-P energy: -85.983
bonds (distance) P-C4' energy: -62.335
flat angles C4'-P-C4' energy: -90.234
flat angles P-C4'-P energy: -44.889
tors. eta vs tors. theta energy: -29.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -678.580597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.580597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.580597 (E_RNA)
where:
Base-Base interactions energy: -389.437
where: short stacking energy: -194.692
Base-Backbone interact. energy: -0.473
local terms energy: -288.670478
where:
bonds (distance) C4'-P energy: -80.646
bonds (distance) P-C4' energy: -88.175
flat angles C4'-P-C4' energy: -69.601
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1564.924809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.924809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.924809 (E_RNA)
where:
Base-Base interactions energy: -1093.087
where: short stacking energy: -454.944
Base-Backbone interact. energy: -1.347
local terms energy: -470.491206
where:
bonds (distance) C4'-P energy: -83.926
bonds (distance) P-C4' energy: -104.399
flat angles C4'-P-C4' energy: -90.211
flat angles P-C4'-P energy: -65.414
tors. eta vs tors. theta energy: -126.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1498.726233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.726233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.726233 (E_RNA)
where:
Base-Base interactions energy: -1047.656
where: short stacking energy: -455.257
Base-Backbone interact. energy: -0.103
local terms energy: -450.966818
where:
bonds (distance) C4'-P energy: -77.937
bonds (distance) P-C4' energy: -96.745
flat angles C4'-P-C4' energy: -89.215
flat angles P-C4'-P energy: -65.784
tors. eta vs tors. theta energy: -121.287
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: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1384.060442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.060442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.060442 (E_RNA)
where:
Base-Base interactions energy: -939.499
where: short stacking energy: -413.598
Base-Backbone interact. energy: 2.909
local terms energy: -447.470384
where:
bonds (distance) C4'-P energy: -90.444
bonds (distance) P-C4' energy: -86.809
flat angles C4'-P-C4' energy: -104.889
flat angles P-C4'-P energy: -56.163
tors. eta vs tors. theta energy: -109.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1367.331237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.331237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.331237 (E_RNA)
where:
Base-Base interactions energy: -935.558
where: short stacking energy: -404.036
Base-Backbone interact. energy: -0.252
local terms energy: -431.521797
where:
bonds (distance) C4'-P energy: -78.562
bonds (distance) P-C4' energy: -86.005
flat angles C4'-P-C4' energy: -99.408
flat angles P-C4'-P energy: -65.231
tors. eta vs tors. theta energy: -102.316
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: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1270.404371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.404371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.404371 (E_RNA)
where:
Base-Base interactions energy: -902.746
where: short stacking energy: -369.622
Base-Backbone interact. energy: -1.366
local terms energy: -366.293111
where:
bonds (distance) C4'-P energy: -65.092
bonds (distance) P-C4' energy: -64.363
flat angles C4'-P-C4' energy: -89.509
flat angles P-C4'-P energy: -56.724
tors. eta vs tors. theta energy: -90.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1194.739230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.739230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.739230 (E_RNA)
where:
Base-Base interactions energy: -797.969
where: short stacking energy: -384.451
Base-Backbone interact. energy: -0.526
local terms energy: -396.244547
where:
bonds (distance) C4'-P energy: -78.439
bonds (distance) P-C4' energy: -73.386
flat angles C4'-P-C4' energy: -99.793
flat angles P-C4'-P energy: -52.634
tors. eta vs tors. theta energy: -91.992
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: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1029.490004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.490004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.490004 (E_RNA)
where:
Base-Base interactions energy: -676.574
where: short stacking energy: -319.488
Base-Backbone interact. energy: -1.793
local terms energy: -351.122804
where:
bonds (distance) C4'-P energy: -76.005
bonds (distance) P-C4' energy: -70.909
flat angles C4'-P-C4' energy: -87.480
flat angles P-C4'-P energy: -44.874
tors. eta vs tors. theta energy: -71.855
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: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -967.382762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.382762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.382762 (E_RNA)
where:
Base-Base interactions energy: -638.404
where: short stacking energy: -280.090
Base-Backbone interact. energy: -2.305
local terms energy: -326.672917
where:
bonds (distance) C4'-P energy: -61.192
bonds (distance) P-C4' energy: -70.232
flat angles C4'-P-C4' energy: -89.980
flat angles P-C4'-P energy: -41.563
tors. eta vs tors. theta energy: -63.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -782.457095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.457095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.457095 (E_RNA)
where:
Base-Base interactions energy: -474.032
where: short stacking energy: -209.338
Base-Backbone interact. energy: 0.615
local terms energy: -309.039728
where:
bonds (distance) C4'-P energy: -70.888
bonds (distance) P-C4' energy: -84.429
flat angles C4'-P-C4' energy: -81.973
flat angles P-C4'-P energy: -37.790
tors. eta vs tors. theta energy: -33.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -674.442344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.442344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.442344 (E_RNA)
where:
Base-Base interactions energy: -408.146
where: short stacking energy: -195.576
Base-Backbone interact. energy: -1.883
local terms energy: -264.413550
where:
bonds (distance) C4'-P energy: -61.923
bonds (distance) P-C4' energy: -73.923
flat angles C4'-P-C4' energy: -63.234
flat angles P-C4'-P energy: -43.516
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1586.883708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.883708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.883708 (E_RNA)
where:
Base-Base interactions energy: -1110.403
where: short stacking energy: -482.424
Base-Backbone interact. energy: -1.990
local terms energy: -474.491223
where:
bonds (distance) C4'-P energy: -88.935
bonds (distance) P-C4' energy: -95.019
flat angles C4'-P-C4' energy: -101.043
flat angles P-C4'-P energy: -56.172
tors. eta vs tors. theta energy: -133.322
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: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1479.414520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.414520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.414520 (E_RNA)
where:
Base-Base interactions energy: -1009.894
where: short stacking energy: -447.988
Base-Backbone interact. energy: -1.710
local terms energy: -467.810083
where:
bonds (distance) C4'-P energy: -84.328
bonds (distance) P-C4' energy: -80.339
flat angles C4'-P-C4' energy: -95.197
flat angles P-C4'-P energy: -81.681
tors. eta vs tors. theta energy: -126.265
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: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1393.230840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.230840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.230840 (E_RNA)
where:
Base-Base interactions energy: -941.288
where: short stacking energy: -421.190
Base-Backbone interact. energy: -2.847
local terms energy: -449.096436
where:
bonds (distance) C4'-P energy: -94.484
bonds (distance) P-C4' energy: -86.440
flat angles C4'-P-C4' energy: -92.365
flat angles P-C4'-P energy: -59.247
tors. eta vs tors. theta energy: -116.561
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: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1349.271072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.271072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.271072 (E_RNA)
where:
Base-Base interactions energy: -897.617
where: short stacking energy: -376.222
Base-Backbone interact. energy: -1.460
local terms energy: -450.193730
where:
bonds (distance) C4'-P energy: -77.947
bonds (distance) P-C4' energy: -91.162
flat angles C4'-P-C4' energy: -108.474
flat angles P-C4'-P energy: -59.361
tors. eta vs tors. theta energy: -113.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1230.836973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.836973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.836973 (E_RNA)
where:
Base-Base interactions energy: -802.709
where: short stacking energy: -391.564
Base-Backbone interact. energy: 0.069
local terms energy: -428.196930
where:
bonds (distance) C4'-P energy: -93.400
bonds (distance) P-C4' energy: -94.020
flat angles C4'-P-C4' energy: -90.176
flat angles P-C4'-P energy: -47.186
tors. eta vs tors. theta energy: -103.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1214.605450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.605450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.605450 (E_RNA)
where:
Base-Base interactions energy: -788.729
where: short stacking energy: -356.259
Base-Backbone interact. energy: -1.746
local terms energy: -424.130418
where:
bonds (distance) C4'-P energy: -89.442
bonds (distance) P-C4' energy: -95.975
flat angles C4'-P-C4' energy: -98.046
flat angles P-C4'-P energy: -50.812
tors. eta vs tors. theta energy: -89.855
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: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1024.337041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.337041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.337041 (E_RNA)
where:
Base-Base interactions energy: -666.634
where: short stacking energy: -323.249
Base-Backbone interact. energy: 5.138
local terms energy: -362.840942
where:
bonds (distance) C4'-P energy: -67.879
bonds (distance) P-C4' energy: -81.852
flat angles C4'-P-C4' energy: -94.050
flat angles P-C4'-P energy: -54.701
tors. eta vs tors. theta energy: -64.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -950.207645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.207645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.207645 (E_RNA)
where:
Base-Base interactions energy: -625.011
where: short stacking energy: -291.590
Base-Backbone interact. energy: -2.514
local terms energy: -322.682316
where:
bonds (distance) C4'-P energy: -78.433
bonds (distance) P-C4' energy: -63.645
flat angles C4'-P-C4' energy: -64.568
flat angles P-C4'-P energy: -50.593
tors. eta vs tors. theta energy: -65.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -779.876530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.876530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.876530 (E_RNA)
where:
Base-Base interactions energy: -475.640
where: short stacking energy: -222.185
Base-Backbone interact. energy: 0.072
local terms energy: -304.308636
where:
bonds (distance) C4'-P energy: -80.633
bonds (distance) P-C4' energy: -84.222
flat angles C4'-P-C4' energy: -74.520
flat angles P-C4'-P energy: -35.754
tors. eta vs tors. theta energy: -29.180
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: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -730.746307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.746307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.746307 (E_RNA)
where:
Base-Base interactions energy: -464.704
where: short stacking energy: -215.005
Base-Backbone interact. energy: -0.715
local terms energy: -265.328053
where:
bonds (distance) C4'-P energy: -70.161
bonds (distance) P-C4' energy: -76.953
flat angles C4'-P-C4' energy: -63.920
flat angles P-C4'-P energy: -35.471
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: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1556.662084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.662084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.662084 (E_RNA)
where:
Base-Base interactions energy: -1086.354
where: short stacking energy: -467.564
Base-Backbone interact. energy: -1.842
local terms energy: -468.466847
where:
bonds (distance) C4'-P energy: -84.938
bonds (distance) P-C4' energy: -92.480
flat angles C4'-P-C4' energy: -99.951
flat angles P-C4'-P energy: -65.801
tors. eta vs tors. theta energy: -125.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1475.501982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.501982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.501982 (E_RNA)
where:
Base-Base interactions energy: -1019.140
where: short stacking energy: -442.486
Base-Backbone interact. energy: -1.964
local terms energy: -454.397897
where:
bonds (distance) C4'-P energy: -90.785
bonds (distance) P-C4' energy: -86.852
flat angles C4'-P-C4' energy: -94.490
flat angles P-C4'-P energy: -63.468
tors. eta vs tors. theta energy: -118.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1415.882826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.882826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.882826 (E_RNA)
where:
Base-Base interactions energy: -980.282
where: short stacking energy: -417.957
Base-Backbone interact. energy: -2.134
local terms energy: -433.467121
where:
bonds (distance) C4'-P energy: -82.996
bonds (distance) P-C4' energy: -88.643
flat angles C4'-P-C4' energy: -88.048
flat angles P-C4'-P energy: -62.988
tors. eta vs tors. theta energy: -110.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1334.030016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.030016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.030016 (E_RNA)
where:
Base-Base interactions energy: -892.272
where: short stacking energy: -395.105
Base-Backbone interact. energy: 0.269
local terms energy: -442.027115
where:
bonds (distance) C4'-P energy: -88.669
bonds (distance) P-C4' energy: -86.077
flat angles C4'-P-C4' energy: -98.362
flat angles P-C4'-P energy: -68.067
tors. eta vs tors. theta energy: -100.851
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: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1244.050076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.050076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.050076 (E_RNA)
where:
Base-Base interactions energy: -819.984
where: short stacking energy: -391.190
Base-Backbone interact. energy: -0.038
local terms energy: -424.028307
where:
bonds (distance) C4'-P energy: -75.684
bonds (distance) P-C4' energy: -79.031
flat angles C4'-P-C4' energy: -80.487
flat angles P-C4'-P energy: -71.715
tors. eta vs tors. theta energy: -117.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1172.424745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.424745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.424745 (E_RNA)
where:
Base-Base interactions energy: -776.630
where: short stacking energy: -339.346
Base-Backbone interact. energy: 0.361
local terms energy: -396.155405
where:
bonds (distance) C4'-P energy: -89.733
bonds (distance) P-C4' energy: -77.042
flat angles C4'-P-C4' energy: -79.072
flat angles P-C4'-P energy: -62.705
tors. eta vs tors. theta energy: -87.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -963.697304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.697304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.697304 (E_RNA)
where:
Base-Base interactions energy: -610.227
where: short stacking energy: -292.227
Base-Backbone interact. energy: -0.438
local terms energy: -353.032723
where:
bonds (distance) C4'-P energy: -94.220
bonds (distance) P-C4' energy: -73.344
flat angles C4'-P-C4' energy: -83.914
flat angles P-C4'-P energy: -53.161
tors. eta vs tors. theta energy: -48.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -933.099953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.099953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.099953 (E_RNA)
where:
Base-Base interactions energy: -623.536
where: short stacking energy: -269.441
Base-Backbone interact. energy: -1.063
local terms energy: -308.500887
where:
bonds (distance) C4'-P energy: -76.145
bonds (distance) P-C4' energy: -78.591
flat angles C4'-P-C4' energy: -66.045
flat angles P-C4'-P energy: -42.309
tors. eta vs tors. theta energy: -45.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -807.188368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.188368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.188368 (E_RNA)
where:
Base-Base interactions energy: -496.763
where: short stacking energy: -215.855
Base-Backbone interact. energy: 3.560
local terms energy: -313.985676
where:
bonds (distance) C4'-P energy: -82.686
bonds (distance) P-C4' energy: -59.916
flat angles C4'-P-C4' energy: -72.785
flat angles P-C4'-P energy: -56.309
tors. eta vs tors. theta energy: -42.290
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: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -750.707124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.707124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.707124 (E_RNA)
where:
Base-Base interactions energy: -449.274
where: short stacking energy: -194.234
Base-Backbone interact. energy: 7.594
local terms energy: -309.026725
where:
bonds (distance) C4'-P energy: -71.335
bonds (distance) P-C4' energy: -86.156
flat angles C4'-P-C4' energy: -77.975
flat angles P-C4'-P energy: -45.454
tors. eta vs tors. theta energy: -28.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1524.963195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.963195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.963195 (E_RNA)
where:
Base-Base interactions energy: -1029.353
where: short stacking energy: -463.258
Base-Backbone interact. energy: -0.998
local terms energy: -494.612305
where:
bonds (distance) C4'-P energy: -92.154
bonds (distance) P-C4' energy: -99.115
flat angles C4'-P-C4' energy: -97.694
flat angles P-C4'-P energy: -76.789
tors. eta vs tors. theta energy: -128.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1500.812562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.812562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.812562 (E_RNA)
where:
Base-Base interactions energy: -1049.523
where: short stacking energy: -445.203
Base-Backbone interact. energy: -3.549
local terms energy: -447.740087
where:
bonds (distance) C4'-P energy: -97.085
bonds (distance) P-C4' energy: -83.003
flat angles C4'-P-C4' energy: -86.556
flat angles P-C4'-P energy: -60.574
tors. eta vs tors. theta energy: -120.523
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: 190
Temperature: 1.000000
Total energy: -1436.762249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.762249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.762249 (E_RNA)
where:
Base-Base interactions energy: -981.810
where: short stacking energy: -435.474
Base-Backbone interact. energy: -3.780
local terms energy: -451.172166
where:
bonds (distance) C4'-P energy: -98.794
bonds (distance) P-C4' energy: -80.675
flat angles C4'-P-C4' energy: -103.318
flat angles P-C4'-P energy: -55.849
tors. eta vs tors. theta energy: -112.536
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: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1317.814952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.814952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.814952 (E_RNA)
where:
Base-Base interactions energy: -905.052
where: short stacking energy: -369.585
Base-Backbone interact. energy: -0.647
local terms energy: -412.116393
where:
bonds (distance) C4'-P energy: -78.210
bonds (distance) P-C4' energy: -89.901
flat angles C4'-P-C4' energy: -93.315
flat angles P-C4'-P energy: -49.053
tors. eta vs tors. theta energy: -101.637
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: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1230.073370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.073370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.073370 (E_RNA)
where:
Base-Base interactions energy: -815.689
where: short stacking energy: -382.830
Base-Backbone interact. energy: -0.291
local terms energy: -414.093370
where:
bonds (distance) C4'-P energy: -87.343
bonds (distance) P-C4' energy: -81.757
flat angles C4'-P-C4' energy: -94.108
flat angles P-C4'-P energy: -53.491
tors. eta vs tors. theta energy: -97.395
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: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1232.504201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.504201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.504201 (E_RNA)
where:
Base-Base interactions energy: -823.297
where: short stacking energy: -350.517
Base-Backbone interact. energy: -1.586
local terms energy: -407.620819
where:
bonds (distance) C4'-P energy: -77.929
bonds (distance) P-C4' energy: -79.452
flat angles C4'-P-C4' energy: -89.374
flat angles P-C4'-P energy: -60.642
tors. eta vs tors. theta energy: -100.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -963.520395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.520395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.520395 (E_RNA)
where:
Base-Base interactions energy: -593.148
where: short stacking energy: -273.813
Base-Backbone interact. energy: -2.229
local terms energy: -368.142496
where:
bonds (distance) C4'-P energy: -75.620
bonds (distance) P-C4' energy: -90.433
flat angles C4'-P-C4' energy: -91.411
flat angles P-C4'-P energy: -59.621
tors. eta vs tors. theta energy: -51.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -944.654144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.654144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.654144 (E_RNA)
where:
Base-Base interactions energy: -584.510
where: short stacking energy: -295.228
Base-Backbone interact. energy: -1.784
local terms energy: -358.360406
where:
bonds (distance) C4'-P energy: -76.841
bonds (distance) P-C4' energy: -82.135
flat angles C4'-P-C4' energy: -82.730
flat angles P-C4'-P energy: -54.258
tors. eta vs tors. theta energy: -62.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -800.564317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.564317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.564317 (E_RNA)
where:
Base-Base interactions energy: -483.525
where: short stacking energy: -225.302
Base-Backbone interact. energy: 0.750
local terms energy: -317.789859
where:
bonds (distance) C4'-P energy: -74.732
bonds (distance) P-C4' energy: -80.490
flat angles C4'-P-C4' energy: -80.635
flat angles P-C4'-P energy: -45.037
tors. eta vs tors. theta energy: -36.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -721.488734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.488734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.488734 (E_RNA)
where:
Base-Base interactions energy: -435.505
where: short stacking energy: -181.281
Base-Backbone interact. energy: -1.625
local terms energy: -284.359190
where:
bonds (distance) C4'-P energy: -78.459
bonds (distance) P-C4' energy: -76.332
flat angles C4'-P-C4' energy: -74.368
flat angles P-C4'-P energy: -38.993
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: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1517.723300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.723300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.723300 (E_RNA)
where:
Base-Base interactions energy: -1058.819
where: short stacking energy: -444.757
Base-Backbone interact. energy: -2.577
local terms energy: -456.327057
where:
bonds (distance) C4'-P energy: -84.114
bonds (distance) P-C4' energy: -86.024
flat angles C4'-P-C4' energy: -97.889
flat angles P-C4'-P energy: -70.696
tors. eta vs tors. theta energy: -117.605
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: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1529.649044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.649044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.649044 (E_RNA)
where:
Base-Base interactions energy: -1053.728
where: short stacking energy: -462.066
Base-Backbone interact. energy: 0.129
local terms energy: -476.049603
where:
bonds (distance) C4'-P energy: -90.383
bonds (distance) P-C4' energy: -97.970
flat angles C4'-P-C4' energy: -95.780
flat angles P-C4'-P energy: -64.755
tors. eta vs tors. theta energy: -127.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1450.921078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.921078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.921078 (E_RNA)
where:
Base-Base interactions energy: -1002.185
where: short stacking energy: -418.301
Base-Backbone interact. energy: -3.521
local terms energy: -445.215670
where:
bonds (distance) C4'-P energy: -84.555
bonds (distance) P-C4' energy: -88.471
flat angles C4'-P-C4' energy: -94.455
flat angles P-C4'-P energy: -61.544
tors. eta vs tors. theta energy: -116.191
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: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1339.173537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.173537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.173537 (E_RNA)
where:
Base-Base interactions energy: -962.053
where: short stacking energy: -370.889
Base-Backbone interact. energy: -3.349
local terms energy: -373.772247
where:
bonds (distance) C4'-P energy: -55.400
bonds (distance) P-C4' energy: -81.912
flat angles C4'-P-C4' energy: -96.564
flat angles P-C4'-P energy: -49.155
tors. eta vs tors. theta energy: -90.741
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: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1266.782546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.782546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.782546 (E_RNA)
where:
Base-Base interactions energy: -824.509
where: short stacking energy: -400.535
Base-Backbone interact. energy: -1.613
local terms energy: -440.660970
where:
bonds (distance) C4'-P energy: -96.730
bonds (distance) P-C4' energy: -81.383
flat angles C4'-P-C4' energy: -99.341
flat angles P-C4'-P energy: -65.046
tors. eta vs tors. theta energy: -98.160
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: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1218.685311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.685311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.685311 (E_RNA)
where:
Base-Base interactions energy: -837.412
where: short stacking energy: -352.741
Base-Backbone interact. energy: -2.950
local terms energy: -378.323634
where:
bonds (distance) C4'-P energy: -72.256
bonds (distance) P-C4' energy: -71.188
flat angles C4'-P-C4' energy: -81.689
flat angles P-C4'-P energy: -67.027
tors. eta vs tors. theta energy: -86.163
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: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1003.271703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.271703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.271703 (E_RNA)
where:
Base-Base interactions energy: -637.765
where: short stacking energy: -286.267
Base-Backbone interact. energy: 2.836
local terms energy: -368.342882
where:
bonds (distance) C4'-P energy: -76.524
bonds (distance) P-C4' energy: -92.119
flat angles C4'-P-C4' energy: -78.677
flat angles P-C4'-P energy: -59.333
tors. eta vs tors. theta energy: -61.690
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: 191
Temperature: 1.250000
Total energy: -893.088649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.088649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.088649 (E_RNA)
where:
Base-Base interactions energy: -576.363
where: short stacking energy: -261.201
Base-Backbone interact. energy: 1.858
local terms energy: -318.583629
where:
bonds (distance) C4'-P energy: -68.161
bonds (distance) P-C4' energy: -87.383
flat angles C4'-P-C4' energy: -79.111
flat angles P-C4'-P energy: -46.165
tors. eta vs tors. theta energy: -37.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -758.556296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.556296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.556296 (E_RNA)
where:
Base-Base interactions energy: -490.366
where: short stacking energy: -239.572
Base-Backbone interact. energy: 5.765
local terms energy: -273.956106
where:
bonds (distance) C4'-P energy: -69.949
bonds (distance) P-C4' energy: -60.595
flat angles C4'-P-C4' energy: -63.920
flat angles P-C4'-P energy: -47.859
tors. eta vs tors. theta energy: -31.632
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: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -705.834185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.834185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.834185 (E_RNA)
where:
Base-Base interactions energy: -411.265
where: short stacking energy: -209.713
Base-Backbone interact. energy: -1.576
local terms energy: -292.993439
where:
bonds (distance) C4'-P energy: -69.032
bonds (distance) P-C4' energy: -68.071
flat angles C4'-P-C4' energy: -76.026
flat angles P-C4'-P energy: -59.467
tors. eta vs tors. theta energy: -20.398
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: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1573.267649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.267649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.267649 (E_RNA)
where:
Base-Base interactions energy: -1077.413
where: short stacking energy: -476.228
Base-Backbone interact. energy: -0.904
local terms energy: -494.951273
where:
bonds (distance) C4'-P energy: -89.203
bonds (distance) P-C4' energy: -91.788
flat angles C4'-P-C4' energy: -114.037
flat angles P-C4'-P energy: -65.905
tors. eta vs tors. theta energy: -134.019
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: 2, replica: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1472.219135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.219135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.219135 (E_RNA)
where:
Base-Base interactions energy: -1030.009
where: short stacking energy: -439.708
Base-Backbone interact. energy: -1.204
local terms energy: -441.006980
where:
bonds (distance) C4'-P energy: -89.586
bonds (distance) P-C4' energy: -76.704
flat angles C4'-P-C4' energy: -91.500
flat angles P-C4'-P energy: -59.126
tors. eta vs tors. theta energy: -124.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1454.333799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.333799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.333799 (E_RNA)
where:
Base-Base interactions energy: -1005.510
where: short stacking energy: -442.394
Base-Backbone interact. energy: -3.283
local terms energy: -445.540626
where:
bonds (distance) C4'-P energy: -85.766
bonds (distance) P-C4' energy: -88.588
flat angles C4'-P-C4' energy: -92.798
flat angles P-C4'-P energy: -65.394
tors. eta vs tors. theta energy: -112.994
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: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1323.553443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.553443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.553443 (E_RNA)
where:
Base-Base interactions energy: -916.110
where: short stacking energy: -377.587
Base-Backbone interact. energy: -1.787
local terms energy: -405.656376
where:
bonds (distance) C4'-P energy: -78.779
bonds (distance) P-C4' energy: -72.100
flat angles C4'-P-C4' energy: -92.630
flat angles P-C4'-P energy: -55.440
tors. eta vs tors. theta energy: -106.708
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: 192
Temperature: 1.100000
Total energy: -1252.678012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.678012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.678012 (E_RNA)
where:
Base-Base interactions energy: -814.448
where: short stacking energy: -388.647
Base-Backbone interact. energy: -1.555
local terms energy: -436.674625
where:
bonds (distance) C4'-P energy: -90.452
bonds (distance) P-C4' energy: -80.084
flat angles C4'-P-C4' energy: -97.080
flat angles P-C4'-P energy: -60.767
tors. eta vs tors. theta energy: -108.291
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: 192
Temperature: 1.150000
Total energy: -1208.001026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.001026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.001026 (E_RNA)
where:
Base-Base interactions energy: -806.605
where: short stacking energy: -360.100
Base-Backbone interact. energy: -3.973
local terms energy: -397.422710
where:
bonds (distance) C4'-P energy: -70.113
bonds (distance) P-C4' energy: -92.738
flat angles C4'-P-C4' energy: -88.635
flat angles P-C4'-P energy: -54.551
tors. eta vs tors. theta energy: -91.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -998.964535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.964535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.964535 (E_RNA)
where:
Base-Base interactions energy: -658.396
where: short stacking energy: -324.449
Base-Backbone interact. energy: -2.201
local terms energy: -338.367233
where:
bonds (distance) C4'-P energy: -63.972
bonds (distance) P-C4' energy: -80.956
flat angles C4'-P-C4' energy: -87.723
flat angles P-C4'-P energy: -42.177
tors. eta vs tors. theta energy: -63.540
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: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -937.760276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.760276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.760276 (E_RNA)
where:
Base-Base interactions energy: -589.150
where: short stacking energy: -274.534
Base-Backbone interact. energy: -1.189
local terms energy: -347.421733
where:
bonds (distance) C4'-P energy: -81.428
bonds (distance) P-C4' energy: -80.898
flat angles C4'-P-C4' energy: -81.058
flat angles P-C4'-P energy: -54.741
tors. eta vs tors. theta energy: -49.298
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: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -723.383336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.383336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.383336 (E_RNA)
where:
Base-Base interactions energy: -405.771
where: short stacking energy: -200.893
Base-Backbone interact. energy: 5.002
local terms energy: -322.613526
where:
bonds (distance) C4'-P energy: -82.278
bonds (distance) P-C4' energy: -79.515
flat angles C4'-P-C4' energy: -71.659
flat angles P-C4'-P energy: -58.347
tors. eta vs tors. theta energy: -30.814
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: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -724.279426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.279426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.279426 (E_RNA)
where:
Base-Base interactions energy: -428.615
where: short stacking energy: -199.229
Base-Backbone interact. energy: -1.896
local terms energy: -293.768974
where:
bonds (distance) C4'-P energy: -65.450
bonds (distance) P-C4' energy: -77.082
flat angles C4'-P-C4' energy: -69.344
flat angles P-C4'-P energy: -51.659
tors. eta vs tors. theta energy: -30.234
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: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1570.923005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.923005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.923005 (E_RNA)
where:
Base-Base interactions energy: -1081.731
where: short stacking energy: -471.431
Base-Backbone interact. energy: -1.650
local terms energy: -487.542701
where:
bonds (distance) C4'-P energy: -92.742
bonds (distance) P-C4' energy: -91.960
flat angles C4'-P-C4' energy: -105.696
flat angles P-C4'-P energy: -61.561
tors. eta vs tors. theta energy: -135.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1509.170477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.170477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.170477 (E_RNA)
where:
Base-Base interactions energy: -1049.225
where: short stacking energy: -450.959
Base-Backbone interact. energy: -4.259
local terms energy: -455.685924
where:
bonds (distance) C4'-P energy: -87.679
bonds (distance) P-C4' energy: -73.807
flat angles C4'-P-C4' energy: -104.280
flat angles P-C4'-P energy: -68.051
tors. eta vs tors. theta energy: -121.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1460.483881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.483881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.483881 (E_RNA)
where:
Base-Base interactions energy: -997.697
where: short stacking energy: -439.971
Base-Backbone interact. energy: 0.888
local terms energy: -463.674557
where:
bonds (distance) C4'-P energy: -82.725
bonds (distance) P-C4' energy: -91.622
flat angles C4'-P-C4' energy: -100.286
flat angles P-C4'-P energy: -69.589
tors. eta vs tors. theta energy: -119.451
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: 193
Temperature: 1.050000
Total energy: -1320.014150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.014150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.014150 (E_RNA)
where:
Base-Base interactions energy: -892.609
where: short stacking energy: -365.838
Base-Backbone interact. energy: -0.328
local terms energy: -427.076633
where:
bonds (distance) C4'-P energy: -81.331
bonds (distance) P-C4' energy: -95.171
flat angles C4'-P-C4' energy: -88.790
flat angles P-C4'-P energy: -60.624
tors. eta vs tors. theta energy: -101.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1238.285580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.285580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.285580 (E_RNA)
where:
Base-Base interactions energy: -837.741
where: short stacking energy: -373.247
Base-Backbone interact. energy: -2.978
local terms energy: -397.566610
where:
bonds (distance) C4'-P energy: -78.405
bonds (distance) P-C4' energy: -73.956
flat angles C4'-P-C4' energy: -91.068
flat angles P-C4'-P energy: -62.058
tors. eta vs tors. theta energy: -92.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1211.884306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.884306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.884306 (E_RNA)
where:
Base-Base interactions energy: -775.367
where: short stacking energy: -353.802
Base-Backbone interact. energy: -1.349
local terms energy: -435.168421
where:
bonds (distance) C4'-P energy: -90.973
bonds (distance) P-C4' energy: -87.560
flat angles C4'-P-C4' energy: -98.343
flat angles P-C4'-P energy: -62.068
tors. eta vs tors. theta energy: -96.225
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: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -961.244803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.244803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.244803 (E_RNA)
where:
Base-Base interactions energy: -600.937
where: short stacking energy: -276.572
Base-Backbone interact. energy: -0.470
local terms energy: -359.837908
where:
bonds (distance) C4'-P energy: -84.676
bonds (distance) P-C4' energy: -88.334
flat angles C4'-P-C4' energy: -72.973
flat angles P-C4'-P energy: -55.423
tors. eta vs tors. theta energy: -58.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -958.241481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.241481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.241481 (E_RNA)
where:
Base-Base interactions energy: -635.498
where: short stacking energy: -277.221
Base-Backbone interact. energy: -1.329
local terms energy: -321.413973
where:
bonds (distance) C4'-P energy: -73.780
bonds (distance) P-C4' energy: -65.672
flat angles C4'-P-C4' energy: -70.302
flat angles P-C4'-P energy: -54.567
tors. eta vs tors. theta energy: -57.093
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: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -742.942950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.942950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.942950 (E_RNA)
where:
Base-Base interactions energy: -450.325
where: short stacking energy: -213.713
Base-Backbone interact. energy: -2.909
local terms energy: -289.708223
where:
bonds (distance) C4'-P energy: -78.855
bonds (distance) P-C4' energy: -85.664
flat angles C4'-P-C4' energy: -60.717
flat angles P-C4'-P energy: -28.906
tors. eta vs tors. theta energy: -35.567
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: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -699.779602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.779602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.779602 (E_RNA)
where:
Base-Base interactions energy: -421.769
where: short stacking energy: -188.040
Base-Backbone interact. energy: 2.541
local terms energy: -280.551268
where:
bonds (distance) C4'-P energy: -81.155
bonds (distance) P-C4' energy: -72.020
flat angles C4'-P-C4' energy: -70.904
flat angles P-C4'-P energy: -32.146
tors. eta vs tors. theta energy: -24.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1574.701330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.701330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.701330 (E_RNA)
where:
Base-Base interactions energy: -1088.191
where: short stacking energy: -471.163
Base-Backbone interact. energy: 5.904
local terms energy: -492.414490
where:
bonds (distance) C4'-P energy: -92.493
bonds (distance) P-C4' energy: -92.166
flat angles C4'-P-C4' energy: -106.329
flat angles P-C4'-P energy: -68.141
tors. eta vs tors. theta energy: -133.285
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: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1477.623932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.623932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.623932 (E_RNA)
where:
Base-Base interactions energy: -1015.496
where: short stacking energy: -442.824
Base-Backbone interact. energy: -1.113
local terms energy: -461.015068
where:
bonds (distance) C4'-P energy: -90.291
bonds (distance) P-C4' energy: -79.476
flat angles C4'-P-C4' energy: -98.638
flat angles P-C4'-P energy: -73.616
tors. eta vs tors. theta energy: -118.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1424.804695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.804695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.804695 (E_RNA)
where:
Base-Base interactions energy: -980.503
where: short stacking energy: -422.745
Base-Backbone interact. energy: -2.498
local terms energy: -441.803782
where:
bonds (distance) C4'-P energy: -90.250
bonds (distance) P-C4' energy: -82.556
flat angles C4'-P-C4' energy: -89.642
flat angles P-C4'-P energy: -64.526
tors. eta vs tors. theta energy: -114.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1325.613727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.613727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.613727 (E_RNA)
where:
Base-Base interactions energy: -928.173
where: short stacking energy: -371.857
Base-Backbone interact. energy: 2.216
local terms energy: -399.656687
where:
bonds (distance) C4'-P energy: -75.519
bonds (distance) P-C4' energy: -74.038
flat angles C4'-P-C4' energy: -97.482
flat angles P-C4'-P energy: -61.950
tors. eta vs tors. theta energy: -90.667
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: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1261.237781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.237781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.237781 (E_RNA)
where:
Base-Base interactions energy: -846.519
where: short stacking energy: -378.084
Base-Backbone interact. energy: -1.595
local terms energy: -413.123415
where:
bonds (distance) C4'-P energy: -83.486
bonds (distance) P-C4' energy: -77.072
flat angles C4'-P-C4' energy: -94.876
flat angles P-C4'-P energy: -52.426
tors. eta vs tors. theta energy: -105.264
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: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1184.568949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.568949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.568949 (E_RNA)
where:
Base-Base interactions energy: -783.208
where: short stacking energy: -345.880
Base-Backbone interact. energy: -1.108
local terms energy: -400.253481
where:
bonds (distance) C4'-P energy: -81.283
bonds (distance) P-C4' energy: -82.088
flat angles C4'-P-C4' energy: -96.233
flat angles P-C4'-P energy: -57.679
tors. eta vs tors. theta energy: -82.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1010.643197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.643197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.643197 (E_RNA)
where:
Base-Base interactions energy: -653.788
where: short stacking energy: -293.974
Base-Backbone interact. energy: -1.240
local terms energy: -355.614493
where:
bonds (distance) C4'-P energy: -84.223
bonds (distance) P-C4' energy: -80.420
flat angles C4'-P-C4' energy: -84.819
flat angles P-C4'-P energy: -47.236
tors. eta vs tors. theta energy: -58.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -917.486503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.486503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.486503 (E_RNA)
where:
Base-Base interactions energy: -576.459
where: short stacking energy: -275.080
Base-Backbone interact. energy: -0.152
local terms energy: -340.875680
where:
bonds (distance) C4'-P energy: -70.103
bonds (distance) P-C4' energy: -72.140
flat angles C4'-P-C4' energy: -76.024
flat angles P-C4'-P energy: -55.514
tors. eta vs tors. theta energy: -67.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -739.959357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.959357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.959357 (E_RNA)
where:
Base-Base interactions energy: -423.366
where: short stacking energy: -199.311
Base-Backbone interact. energy: -1.246
local terms energy: -315.347568
where:
bonds (distance) C4'-P energy: -76.902
bonds (distance) P-C4' energy: -79.580
flat angles C4'-P-C4' energy: -61.559
flat angles P-C4'-P energy: -55.080
tors. eta vs tors. theta energy: -42.225
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: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -724.911248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.911248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.911248 (E_RNA)
where:
Base-Base interactions energy: -435.143
where: short stacking energy: -198.298
Base-Backbone interact. energy: -0.092
local terms energy: -289.676397
where:
bonds (distance) C4'-P energy: -65.999
bonds (distance) P-C4' energy: -85.466
flat angles C4'-P-C4' energy: -78.163
flat angles P-C4'-P energy: -35.429
tors. eta vs tors. theta energy: -24.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1587.080416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.080416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.080416 (E_RNA)
where:
Base-Base interactions energy: -1102.232
where: short stacking energy: -483.435
Base-Backbone interact. energy: -2.060
local terms energy: -482.788409
where:
bonds (distance) C4'-P energy: -93.246
bonds (distance) P-C4' energy: -90.757
flat angles C4'-P-C4' energy: -99.329
flat angles P-C4'-P energy: -64.262
tors. eta vs tors. theta energy: -135.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1469.339463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.339463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.339463 (E_RNA)
where:
Base-Base interactions energy: -1018.231
where: short stacking energy: -423.227
Base-Backbone interact. energy: -3.476
local terms energy: -447.632418
where:
bonds (distance) C4'-P energy: -90.743
bonds (distance) P-C4' energy: -83.549
flat angles C4'-P-C4' energy: -100.052
flat angles P-C4'-P energy: -63.795
tors. eta vs tors. theta energy: -109.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1433.875219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.875219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.875219 (E_RNA)
where:
Base-Base interactions energy: -976.926
where: short stacking energy: -421.658
Base-Backbone interact. energy: -1.394
local terms energy: -455.554670
where:
bonds (distance) C4'-P energy: -96.917
bonds (distance) P-C4' energy: -88.258
flat angles C4'-P-C4' energy: -96.815
flat angles P-C4'-P energy: -61.836
tors. eta vs tors. theta energy: -111.728
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: 195
Temperature: 1.050000
Total energy: -1322.534540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.534540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.534540 (E_RNA)
where:
Base-Base interactions energy: -904.451
where: short stacking energy: -379.101
Base-Backbone interact. energy: 0.561
local terms energy: -418.644099
where:
bonds (distance) C4'-P energy: -87.574
bonds (distance) P-C4' energy: -86.249
flat angles C4'-P-C4' energy: -96.753
flat angles P-C4'-P energy: -47.288
tors. eta vs tors. theta energy: -100.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1231.784877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.784877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.784877 (E_RNA)
where:
Base-Base interactions energy: -815.125
where: short stacking energy: -375.415
Base-Backbone interact. energy: -2.744
local terms energy: -413.915505
where:
bonds (distance) C4'-P energy: -72.607
bonds (distance) P-C4' energy: -86.168
flat angles C4'-P-C4' energy: -91.342
flat angles P-C4'-P energy: -66.388
tors. eta vs tors. theta energy: -97.411
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: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1171.903645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.903645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.903645 (E_RNA)
where:
Base-Base interactions energy: -774.286
where: short stacking energy: -349.786
Base-Backbone interact. energy: -1.417
local terms energy: -396.200713
where:
bonds (distance) C4'-P energy: -80.638
bonds (distance) P-C4' energy: -84.288
flat angles C4'-P-C4' energy: -89.751
flat angles P-C4'-P energy: -54.572
tors. eta vs tors. theta energy: -86.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1012.093602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.093602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.093602 (E_RNA)
where:
Base-Base interactions energy: -635.024
where: short stacking energy: -307.830
Base-Backbone interact. energy: -0.808
local terms energy: -376.262063
where:
bonds (distance) C4'-P energy: -77.203
bonds (distance) P-C4' energy: -83.873
flat angles C4'-P-C4' energy: -79.540
flat angles P-C4'-P energy: -56.995
tors. eta vs tors. theta energy: -78.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -944.723525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.723525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.723525 (E_RNA)
where:
Base-Base interactions energy: -624.784
where: short stacking energy: -283.098
Base-Backbone interact. energy: -1.335
local terms energy: -318.605052
where:
bonds (distance) C4'-P energy: -64.692
bonds (distance) P-C4' energy: -81.410
flat angles C4'-P-C4' energy: -83.924
flat angles P-C4'-P energy: -33.223
tors. eta vs tors. theta energy: -55.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -736.392707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.392707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.392707 (E_RNA)
where:
Base-Base interactions energy: -444.335
where: short stacking energy: -204.811
Base-Backbone interact. energy: 0.461
local terms energy: -292.518184
where:
bonds (distance) C4'-P energy: -85.317
bonds (distance) P-C4' energy: -82.110
flat angles C4'-P-C4' energy: -79.404
flat angles P-C4'-P energy: -24.610
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -703.563057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.563057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.563057 (E_RNA)
where:
Base-Base interactions energy: -396.715
where: short stacking energy: -207.651
Base-Backbone interact. energy: -1.984
local terms energy: -304.864170
where:
bonds (distance) C4'-P energy: -74.026
bonds (distance) P-C4' energy: -70.994
flat angles C4'-P-C4' energy: -85.287
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: -34.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1559.551361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.551361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.551361 (E_RNA)
where:
Base-Base interactions energy: -1067.326
where: short stacking energy: -464.362
Base-Backbone interact. energy: -3.649
local terms energy: -488.576818
where:
bonds (distance) C4'-P energy: -90.931
bonds (distance) P-C4' energy: -94.050
flat angles C4'-P-C4' energy: -106.162
flat angles P-C4'-P energy: -68.558
tors. eta vs tors. theta energy: -128.876
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: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1470.474262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.474262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.474262 (E_RNA)
where:
Base-Base interactions energy: -1005.777
where: short stacking energy: -440.794
Base-Backbone interact. energy: -2.148
local terms energy: -462.549246
where:
bonds (distance) C4'-P energy: -87.412
bonds (distance) P-C4' energy: -87.975
flat angles C4'-P-C4' energy: -98.966
flat angles P-C4'-P energy: -66.237
tors. eta vs tors. theta energy: -121.958
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: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1441.322308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.322308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.322308 (E_RNA)
where:
Base-Base interactions energy: -984.684
where: short stacking energy: -421.091
Base-Backbone interact. energy: 1.139
local terms energy: -457.777357
where:
bonds (distance) C4'-P energy: -92.159
bonds (distance) P-C4' energy: -82.393
flat angles C4'-P-C4' energy: -95.592
flat angles P-C4'-P energy: -71.996
tors. eta vs tors. theta energy: -115.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1333.989075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.989075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.989075 (E_RNA)
where:
Base-Base interactions energy: -936.666
where: short stacking energy: -411.570
Base-Backbone interact. energy: -3.359
local terms energy: -393.964080
where:
bonds (distance) C4'-P energy: -79.833
bonds (distance) P-C4' energy: -76.817
flat angles C4'-P-C4' energy: -87.412
flat angles P-C4'-P energy: -52.574
tors. eta vs tors. theta energy: -97.330
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: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1224.125951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.125951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.125951 (E_RNA)
where:
Base-Base interactions energy: -802.526
where: short stacking energy: -390.354
Base-Backbone interact. energy: 0.432
local terms energy: -422.031834
where:
bonds (distance) C4'-P energy: -81.559
bonds (distance) P-C4' energy: -86.173
flat angles C4'-P-C4' energy: -87.196
flat angles P-C4'-P energy: -66.102
tors. eta vs tors. theta energy: -101.002
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: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1149.590470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.590470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.590470 (E_RNA)
where:
Base-Base interactions energy: -743.942
where: short stacking energy: -351.830
Base-Backbone interact. energy: -1.271
local terms energy: -404.377943
where:
bonds (distance) C4'-P energy: -81.865
bonds (distance) P-C4' energy: -87.193
flat angles C4'-P-C4' energy: -87.128
flat angles P-C4'-P energy: -56.226
tors. eta vs tors. theta energy: -91.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -974.610727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.610727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.610727 (E_RNA)
where:
Base-Base interactions energy: -614.165
where: short stacking energy: -308.378
Base-Backbone interact. energy: -2.976
local terms energy: -357.469887
where:
bonds (distance) C4'-P energy: -79.222
bonds (distance) P-C4' energy: -86.427
flat angles C4'-P-C4' energy: -83.428
flat angles P-C4'-P energy: -48.789
tors. eta vs tors. theta energy: -59.604
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: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -935.481893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.481893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.481893 (E_RNA)
where:
Base-Base interactions energy: -605.449
where: short stacking energy: -297.066
Base-Backbone interact. energy: -1.293
local terms energy: -328.739392
where:
bonds (distance) C4'-P energy: -76.459
bonds (distance) P-C4' energy: -84.295
flat angles C4'-P-C4' energy: -70.967
flat angles P-C4'-P energy: -49.079
tors. eta vs tors. theta energy: -47.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -721.385067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.385067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.385067 (E_RNA)
where:
Base-Base interactions energy: -452.545
where: short stacking energy: -217.920
Base-Backbone interact. energy: 0.729
local terms energy: -269.568627
where:
bonds (distance) C4'-P energy: -41.427
bonds (distance) P-C4' energy: -80.733
flat angles C4'-P-C4' energy: -71.350
flat angles P-C4'-P energy: -53.829
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -714.636293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.636293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.636293 (E_RNA)
where:
Base-Base interactions energy: -418.816
where: short stacking energy: -187.804
Base-Backbone interact. energy: 4.002
local terms energy: -299.822042
where:
bonds (distance) C4'-P energy: -77.775
bonds (distance) P-C4' energy: -73.998
flat angles C4'-P-C4' energy: -71.637
flat angles P-C4'-P energy: -55.025
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1541.540407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.540407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.540407 (E_RNA)
where:
Base-Base interactions energy: -1065.993
where: short stacking energy: -472.852
Base-Backbone interact. energy: 1.363
local terms energy: -476.910466
where:
bonds (distance) C4'-P energy: -101.430
bonds (distance) P-C4' energy: -76.314
flat angles C4'-P-C4' energy: -93.576
flat angles P-C4'-P energy: -69.526
tors. eta vs tors. theta energy: -136.065
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: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1470.008060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.008060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.008060 (E_RNA)
where:
Base-Base interactions energy: -1001.200
where: short stacking energy: -437.145
Base-Backbone interact. energy: -2.281
local terms energy: -466.526975
where:
bonds (distance) C4'-P energy: -96.306
bonds (distance) P-C4' energy: -83.077
flat angles C4'-P-C4' energy: -95.819
flat angles P-C4'-P energy: -72.257
tors. eta vs tors. theta energy: -119.068
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: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1431.235175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.235175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.235175 (E_RNA)
where:
Base-Base interactions energy: -975.863
where: short stacking energy: -414.283
Base-Backbone interact. energy: -1.798
local terms energy: -453.573906
where:
bonds (distance) C4'-P energy: -92.329
bonds (distance) P-C4' energy: -92.222
flat angles C4'-P-C4' energy: -100.281
flat angles P-C4'-P energy: -62.636
tors. eta vs tors. theta energy: -106.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1333.029986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.029986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.029986 (E_RNA)
where:
Base-Base interactions energy: -942.844
where: short stacking energy: -372.086
Base-Backbone interact. energy: 0.240
local terms energy: -390.426434
where:
bonds (distance) C4'-P energy: -76.313
bonds (distance) P-C4' energy: -78.318
flat angles C4'-P-C4' energy: -87.056
flat angles P-C4'-P energy: -56.419
tors. eta vs tors. theta energy: -92.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1235.024176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.024176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.024176 (E_RNA)
where:
Base-Base interactions energy: -827.511
where: short stacking energy: -374.645
Base-Backbone interact. energy: 0.518
local terms energy: -408.031252
where:
bonds (distance) C4'-P energy: -75.508
bonds (distance) P-C4' energy: -79.932
flat angles C4'-P-C4' energy: -91.814
flat angles P-C4'-P energy: -61.109
tors. eta vs tors. theta energy: -99.669
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: 197
Temperature: 1.150000
Total energy: -1159.187847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.187847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.187847 (E_RNA)
where:
Base-Base interactions energy: -781.757
where: short stacking energy: -346.973
Base-Backbone interact. energy: 1.372
local terms energy: -378.802946
where:
bonds (distance) C4'-P energy: -76.914
bonds (distance) P-C4' energy: -81.783
flat angles C4'-P-C4' energy: -75.305
flat angles P-C4'-P energy: -47.516
tors. eta vs tors. theta energy: -97.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -911.860809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.860809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.860809 (E_RNA)
where:
Base-Base interactions energy: -543.221
where: short stacking energy: -257.731
Base-Backbone interact. energy: 0.872
local terms energy: -369.512191
where:
bonds (distance) C4'-P energy: -90.228
bonds (distance) P-C4' energy: -96.655
flat angles C4'-P-C4' energy: -78.702
flat angles P-C4'-P energy: -51.772
tors. eta vs tors. theta energy: -52.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -890.797610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.797610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.797610 (E_RNA)
where:
Base-Base interactions energy: -578.880
where: short stacking energy: -260.363
Base-Backbone interact. energy: -0.683
local terms energy: -311.234708
where:
bonds (distance) C4'-P energy: -78.266
bonds (distance) P-C4' energy: -70.905
flat angles C4'-P-C4' energy: -81.251
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: -45.786
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: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -740.208655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.208655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.208655 (E_RNA)
where:
Base-Base interactions energy: -433.961
where: short stacking energy: -209.609
Base-Backbone interact. energy: 1.727
local terms energy: -307.974261
where:
bonds (distance) C4'-P energy: -75.903
bonds (distance) P-C4' energy: -69.043
flat angles C4'-P-C4' energy: -75.890
flat angles P-C4'-P energy: -44.111
tors. eta vs tors. theta energy: -43.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -647.019530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.019530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.019530 (E_RNA)
where:
Base-Base interactions energy: -403.914
where: short stacking energy: -203.410
Base-Backbone interact. energy: -1.420
local terms energy: -241.685558
where:
bonds (distance) C4'-P energy: -42.578
bonds (distance) P-C4' energy: -87.668
flat angles C4'-P-C4' energy: -58.586
flat angles P-C4'-P energy: -36.447
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: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1567.944691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.944691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.944691 (E_RNA)
where:
Base-Base interactions energy: -1086.610
where: short stacking energy: -471.868
Base-Backbone interact. energy: -3.306
local terms energy: -478.028982
where:
bonds (distance) C4'-P energy: -92.305
bonds (distance) P-C4' energy: -92.284
flat angles C4'-P-C4' energy: -106.778
flat angles P-C4'-P energy: -63.950
tors. eta vs tors. theta energy: -122.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1477.335993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.335993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.335993 (E_RNA)
where:
Base-Base interactions energy: -1026.537
where: short stacking energy: -460.377
Base-Backbone interact. energy: -0.280
local terms energy: -450.519066
where:
bonds (distance) C4'-P energy: -84.719
bonds (distance) P-C4' energy: -85.168
flat angles C4'-P-C4' energy: -90.757
flat angles P-C4'-P energy: -69.085
tors. eta vs tors. theta energy: -120.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1413.363756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.363756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.363756 (E_RNA)
where:
Base-Base interactions energy: -967.124
where: short stacking energy: -411.034
Base-Backbone interact. energy: -0.682
local terms energy: -445.557548
where:
bonds (distance) C4'-P energy: -76.450
bonds (distance) P-C4' energy: -87.323
flat angles C4'-P-C4' energy: -102.677
flat angles P-C4'-P energy: -59.264
tors. eta vs tors. theta energy: -119.843
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: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1355.042517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.042517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.042517 (E_RNA)
where:
Base-Base interactions energy: -948.634
where: short stacking energy: -403.582
Base-Backbone interact. energy: 3.507
local terms energy: -409.915772
where:
bonds (distance) C4'-P energy: -79.849
bonds (distance) P-C4' energy: -85.407
flat angles C4'-P-C4' energy: -88.607
flat angles P-C4'-P energy: -56.346
tors. eta vs tors. theta energy: -99.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1206.209594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.209594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.209594 (E_RNA)
where:
Base-Base interactions energy: -822.867
where: short stacking energy: -355.277
Base-Backbone interact. energy: -0.881
local terms energy: -382.461642
where:
bonds (distance) C4'-P energy: -81.288
bonds (distance) P-C4' energy: -84.125
flat angles C4'-P-C4' energy: -76.828
flat angles P-C4'-P energy: -60.103
tors. eta vs tors. theta energy: -80.117
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: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1202.228471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.228471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.228471 (E_RNA)
where:
Base-Base interactions energy: -778.499
where: short stacking energy: -366.504
Base-Backbone interact. energy: 0.453
local terms energy: -424.182644
where:
bonds (distance) C4'-P energy: -77.934
bonds (distance) P-C4' energy: -83.523
flat angles C4'-P-C4' energy: -93.828
flat angles P-C4'-P energy: -67.393
tors. eta vs tors. theta energy: -101.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -983.447643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.447643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.447643 (E_RNA)
where:
Base-Base interactions energy: -624.230
where: short stacking energy: -278.249
Base-Backbone interact. energy: -1.708
local terms energy: -357.509109
where:
bonds (distance) C4'-P energy: -84.918
bonds (distance) P-C4' energy: -75.891
flat angles C4'-P-C4' energy: -86.289
flat angles P-C4'-P energy: -45.366
tors. eta vs tors. theta energy: -65.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -846.316002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.316002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.316002 (E_RNA)
where:
Base-Base interactions energy: -508.485
where: short stacking energy: -261.808
Base-Backbone interact. energy: -0.570
local terms energy: -337.260925
where:
bonds (distance) C4'-P energy: -61.184
bonds (distance) P-C4' energy: -82.076
flat angles C4'-P-C4' energy: -94.849
flat angles P-C4'-P energy: -42.573
tors. eta vs tors. theta energy: -56.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -747.339468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.339468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.339468 (E_RNA)
where:
Base-Base interactions energy: -437.796
where: short stacking energy: -231.298
Base-Backbone interact. energy: 0.763
local terms energy: -310.306839
where:
bonds (distance) C4'-P energy: -68.902
bonds (distance) P-C4' energy: -74.121
flat angles C4'-P-C4' energy: -68.280
flat angles P-C4'-P energy: -58.389
tors. eta vs tors. theta energy: -40.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -680.798049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.798049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.798049 (E_RNA)
where:
Base-Base interactions energy: -407.241
where: short stacking energy: -190.833
Base-Backbone interact. energy: -3.386
local terms energy: -270.171129
where:
bonds (distance) C4'-P energy: -67.537
bonds (distance) P-C4' energy: -72.370
flat angles C4'-P-C4' energy: -67.942
flat angles P-C4'-P energy: -33.829
tors. eta vs tors. theta energy: -28.493
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: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1549.887651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.887651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.887651 (E_RNA)
where:
Base-Base interactions energy: -1065.144
where: short stacking energy: -470.075
Base-Backbone interact. energy: -3.321
local terms energy: -481.422965
where:
bonds (distance) C4'-P energy: -79.716
bonds (distance) P-C4' energy: -98.665
flat angles C4'-P-C4' energy: -104.453
flat angles P-C4'-P energy: -70.542
tors. eta vs tors. theta energy: -128.047
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: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1482.821134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.821134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.821134 (E_RNA)
where:
Base-Base interactions energy: -1031.808
where: short stacking energy: -446.126
Base-Backbone interact. energy: -2.143
local terms energy: -448.869766
where:
bonds (distance) C4'-P energy: -82.670
bonds (distance) P-C4' energy: -85.783
flat angles C4'-P-C4' energy: -93.457
flat angles P-C4'-P energy: -68.058
tors. eta vs tors. theta energy: -118.903
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: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1414.483796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.483796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.483796 (E_RNA)
where:
Base-Base interactions energy: -962.401
where: short stacking energy: -421.391
Base-Backbone interact. energy: -1.230
local terms energy: -450.852731
where:
bonds (distance) C4'-P energy: -98.334
bonds (distance) P-C4' energy: -84.847
flat angles C4'-P-C4' energy: -96.838
flat angles P-C4'-P energy: -61.497
tors. eta vs tors. theta energy: -109.337
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: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1351.915639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.915639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.915639 (E_RNA)
where:
Base-Base interactions energy: -910.539
where: short stacking energy: -380.218
Base-Backbone interact. energy: -3.957
local terms energy: -437.419704
where:
bonds (distance) C4'-P energy: -93.654
bonds (distance) P-C4' energy: -90.345
flat angles C4'-P-C4' energy: -101.821
flat angles P-C4'-P energy: -51.264
tors. eta vs tors. theta energy: -100.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1215.480983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.480983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.480983 (E_RNA)
where:
Base-Base interactions energy: -798.846
where: short stacking energy: -362.972
Base-Backbone interact. energy: -2.867
local terms energy: -413.768194
where:
bonds (distance) C4'-P energy: -84.110
bonds (distance) P-C4' energy: -92.307
flat angles C4'-P-C4' energy: -90.274
flat angles P-C4'-P energy: -55.355
tors. eta vs tors. theta energy: -91.723
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: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1221.402620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.402620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.402620 (E_RNA)
where:
Base-Base interactions energy: -812.889
where: short stacking energy: -384.399
Base-Backbone interact. energy: -0.526
local terms energy: -407.987309
where:
bonds (distance) C4'-P energy: -75.132
bonds (distance) P-C4' energy: -78.077
flat angles C4'-P-C4' energy: -87.061
flat angles P-C4'-P energy: -67.861
tors. eta vs tors. theta energy: -99.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -994.354574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.354574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.354574 (E_RNA)
where:
Base-Base interactions energy: -638.578
where: short stacking energy: -302.262
Base-Backbone interact. energy: -1.974
local terms energy: -353.802246
where:
bonds (distance) C4'-P energy: -73.340
bonds (distance) P-C4' energy: -79.705
flat angles C4'-P-C4' energy: -95.295
flat angles P-C4'-P energy: -36.417
tors. eta vs tors. theta energy: -69.045
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: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -909.905783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.905783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.905783 (E_RNA)
where:
Base-Base interactions energy: -577.799
where: short stacking energy: -257.345
Base-Backbone interact. energy: 0.442
local terms energy: -332.548210
where:
bonds (distance) C4'-P energy: -72.191
bonds (distance) P-C4' energy: -85.497
flat angles C4'-P-C4' energy: -70.940
flat angles P-C4'-P energy: -48.819
tors. eta vs tors. theta energy: -55.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -708.911639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.911639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.911639 (E_RNA)
where:
Base-Base interactions energy: -448.143
where: short stacking energy: -225.163
Base-Backbone interact. energy: -1.727
local terms energy: -259.041596
where:
bonds (distance) C4'-P energy: -71.467
bonds (distance) P-C4' energy: -77.023
flat angles C4'-P-C4' energy: -58.663
flat angles P-C4'-P energy: -28.263
tors. eta vs tors. theta energy: -23.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -677.546768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.546768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.546768 (E_RNA)
where:
Base-Base interactions energy: -403.756
where: short stacking energy: -185.541
Base-Backbone interact. energy: -1.448
local terms energy: -272.343103
where:
bonds (distance) C4'-P energy: -70.982
bonds (distance) P-C4' energy: -72.981
flat angles C4'-P-C4' energy: -69.381
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1564.804738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.804738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.804738 (E_RNA)
where:
Base-Base interactions energy: -1087.768
where: short stacking energy: -450.702
Base-Backbone interact. energy: 1.601
local terms energy: -478.637537
where:
bonds (distance) C4'-P energy: -89.758
bonds (distance) P-C4' energy: -97.615
flat angles C4'-P-C4' energy: -98.093
flat angles P-C4'-P energy: -64.925
tors. eta vs tors. theta energy: -128.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1488.568731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.568731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.568731 (E_RNA)
where:
Base-Base interactions energy: -1006.415
where: short stacking energy: -438.664
Base-Backbone interact. energy: -4.421
local terms energy: -477.732787
where:
bonds (distance) C4'-P energy: -85.357
bonds (distance) P-C4' energy: -97.937
flat angles C4'-P-C4' energy: -99.968
flat angles P-C4'-P energy: -74.751
tors. eta vs tors. theta energy: -119.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1442.981751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.981751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.981751 (E_RNA)
where:
Base-Base interactions energy: -997.380
where: short stacking energy: -427.771
Base-Backbone interact. energy: 0.492
local terms energy: -446.093561
where:
bonds (distance) C4'-P energy: -91.389
bonds (distance) P-C4' energy: -85.884
flat angles C4'-P-C4' energy: -93.455
flat angles P-C4'-P energy: -60.095
tors. eta vs tors. theta energy: -115.271
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: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1375.058123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.058123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.058123 (E_RNA)
where:
Base-Base interactions energy: -954.320
where: short stacking energy: -400.974
Base-Backbone interact. energy: -4.093
local terms energy: -416.644322
where:
bonds (distance) C4'-P energy: -91.896
bonds (distance) P-C4' energy: -74.022
flat angles C4'-P-C4' energy: -93.859
flat angles P-C4'-P energy: -65.443
tors. eta vs tors. theta energy: -91.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1183.744318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.744318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.744318 (E_RNA)
where:
Base-Base interactions energy: -764.202
where: short stacking energy: -352.470
Base-Backbone interact. energy: -1.790
local terms energy: -417.751497
where:
bonds (distance) C4'-P energy: -83.464
bonds (distance) P-C4' energy: -89.064
flat angles C4'-P-C4' energy: -98.124
flat angles P-C4'-P energy: -57.437
tors. eta vs tors. theta energy: -89.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1211.396505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.396505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.396505 (E_RNA)
where:
Base-Base interactions energy: -789.589
where: short stacking energy: -365.114
Base-Backbone interact. energy: -2.113
local terms energy: -419.695020
where:
bonds (distance) C4'-P energy: -80.561
bonds (distance) P-C4' energy: -86.524
flat angles C4'-P-C4' energy: -99.085
flat angles P-C4'-P energy: -54.501
tors. eta vs tors. theta energy: -99.024
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: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1021.249285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.249285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.249285 (E_RNA)
where:
Base-Base interactions energy: -646.740
where: short stacking energy: -286.275
Base-Backbone interact. energy: -1.071
local terms energy: -373.437482
where:
bonds (distance) C4'-P energy: -85.939
bonds (distance) P-C4' energy: -95.327
flat angles C4'-P-C4' energy: -73.857
flat angles P-C4'-P energy: -42.229
tors. eta vs tors. theta energy: -76.086
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: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -836.747569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.747569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.747569 (E_RNA)
where:
Base-Base interactions energy: -509.531
where: short stacking energy: -243.013
Base-Backbone interact. energy: -0.265
local terms energy: -326.951295
where:
bonds (distance) C4'-P energy: -79.960
bonds (distance) P-C4' energy: -77.622
flat angles C4'-P-C4' energy: -71.041
flat angles P-C4'-P energy: -51.053
tors. eta vs tors. theta energy: -47.276
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: 200
Temperature: 1.300000
Total energy: -773.630437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.630437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.630437 (E_RNA)
where:
Base-Base interactions energy: -486.184
where: short stacking energy: -217.131
Base-Backbone interact. energy: 1.851
local terms energy: -289.297139
where:
bonds (distance) C4'-P energy: -77.078
bonds (distance) P-C4' energy: -66.781
flat angles C4'-P-C4' energy: -71.066
flat angles P-C4'-P energy: -41.233
tors. eta vs tors. theta energy: -33.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -711.087733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.087733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.087733 (E_RNA)
where:
Base-Base interactions energy: -441.117
where: short stacking energy: -217.759
Base-Backbone interact. energy: 1.010
local terms energy: -270.980562
where:
bonds (distance) C4'-P energy: -67.321
bonds (distance) P-C4' energy: -63.117
flat angles C4'-P-C4' energy: -69.562
flat angles P-C4'-P energy: -39.126
tors. eta vs tors. theta energy: -31.854
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: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1572.271921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.271921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.271921 (E_RNA)
where:
Base-Base interactions energy: -1092.033
where: short stacking energy: -482.321
Base-Backbone interact. energy: -2.920
local terms energy: -477.319196
where:
bonds (distance) C4'-P energy: -77.548
bonds (distance) P-C4' energy: -93.949
flat angles C4'-P-C4' energy: -95.332
flat angles P-C4'-P energy: -72.468
tors. eta vs tors. theta energy: -138.022
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: 2, replica: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1498.831097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.831097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.831097 (E_RNA)
where:
Base-Base interactions energy: -1034.858
where: short stacking energy: -442.283
Base-Backbone interact. energy: 1.627
local terms energy: -465.600722
where:
bonds (distance) C4'-P energy: -106.080
bonds (distance) P-C4' energy: -89.793
flat angles C4'-P-C4' energy: -98.404
flat angles P-C4'-P energy: -56.155
tors. eta vs tors. theta energy: -115.168
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: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1414.191164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.191164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.191164 (E_RNA)
where:
Base-Base interactions energy: -959.246
where: short stacking energy: -411.819
Base-Backbone interact. energy: -3.540
local terms energy: -451.404757
where:
bonds (distance) C4'-P energy: -99.991
bonds (distance) P-C4' energy: -91.838
flat angles C4'-P-C4' energy: -100.000
flat angles P-C4'-P energy: -62.003
tors. eta vs tors. theta energy: -97.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1344.003401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.003401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.003401 (E_RNA)
where:
Base-Base interactions energy: -958.087
where: short stacking energy: -391.827
Base-Backbone interact. energy: 0.678
local terms energy: -386.594275
where:
bonds (distance) C4'-P energy: -69.883
bonds (distance) P-C4' energy: -87.638
flat angles C4'-P-C4' energy: -94.532
flat angles P-C4'-P energy: -43.606
tors. eta vs tors. theta energy: -90.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1219.865564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.865564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.865564 (E_RNA)
where:
Base-Base interactions energy: -804.285
where: short stacking energy: -385.182
Base-Backbone interact. energy: 5.193
local terms energy: -420.774377
where:
bonds (distance) C4'-P energy: -92.308
bonds (distance) P-C4' energy: -80.131
flat angles C4'-P-C4' energy: -93.146
flat angles P-C4'-P energy: -60.226
tors. eta vs tors. theta energy: -94.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1168.313438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.313438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.313438 (E_RNA)
where:
Base-Base interactions energy: -761.868
where: short stacking energy: -357.602
Base-Backbone interact. energy: -1.332
local terms energy: -405.113465
where:
bonds (distance) C4'-P energy: -78.010
bonds (distance) P-C4' energy: -99.598
flat angles C4'-P-C4' energy: -88.566
flat angles P-C4'-P energy: -48.741
tors. eta vs tors. theta energy: -90.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -923.512772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.512772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.512772 (E_RNA)
where:
Base-Base interactions energy: -586.323
where: short stacking energy: -273.864
Base-Backbone interact. energy: 6.945
local terms energy: -344.134820
where:
bonds (distance) C4'-P energy: -82.699
bonds (distance) P-C4' energy: -87.109
flat angles C4'-P-C4' energy: -76.671
flat angles P-C4'-P energy: -44.508
tors. eta vs tors. theta energy: -53.148
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: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -813.253207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.253207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.253207 (E_RNA)
where:
Base-Base interactions energy: -495.515
where: short stacking energy: -238.072
Base-Backbone interact. energy: 0.887
local terms energy: -318.624715
where:
bonds (distance) C4'-P energy: -59.650
bonds (distance) P-C4' energy: -78.860
flat angles C4'-P-C4' energy: -76.448
flat angles P-C4'-P energy: -51.518
tors. eta vs tors. theta energy: -52.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -748.786269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.786269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.786269 (E_RNA)
where:
Base-Base interactions energy: -449.349
where: short stacking energy: -239.222
Base-Backbone interact. energy: -0.460
local terms energy: -298.977116
where:
bonds (distance) C4'-P energy: -76.877
bonds (distance) P-C4' energy: -70.982
flat angles C4'-P-C4' energy: -66.720
flat angles P-C4'-P energy: -48.113
tors. eta vs tors. theta energy: -36.286
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: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -723.444084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.444084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.444084 (E_RNA)
where:
Base-Base interactions energy: -428.918
where: short stacking energy: -214.879
Base-Backbone interact. energy: -0.559
local terms energy: -293.967338
where:
bonds (distance) C4'-P energy: -73.464
bonds (distance) P-C4' energy: -69.129
flat angles C4'-P-C4' energy: -64.296
flat angles P-C4'-P energy: -53.684
tors. eta vs tors. theta energy: -33.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1554.845928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.845928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.845928 (E_RNA)
where:
Base-Base interactions energy: -1063.605
where: short stacking energy: -468.182
Base-Backbone interact. energy: -2.397
local terms energy: -488.844459
where:
bonds (distance) C4'-P energy: -91.758
bonds (distance) P-C4' energy: -94.087
flat angles C4'-P-C4' energy: -97.539
flat angles P-C4'-P energy: -73.875
tors. eta vs tors. theta energy: -131.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1514.369637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.369637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.369637 (E_RNA)
where:
Base-Base interactions energy: -1049.822
where: short stacking energy: -435.336
Base-Backbone interact. energy: 0.549
local terms energy: -465.096769
where:
bonds (distance) C4'-P energy: -86.497
bonds (distance) P-C4' energy: -86.078
flat angles C4'-P-C4' energy: -106.839
flat angles P-C4'-P energy: -67.498
tors. eta vs tors. theta energy: -118.185
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: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1401.673204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.673204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.673204 (E_RNA)
where:
Base-Base interactions energy: -964.345
where: short stacking energy: -413.242
Base-Backbone interact. energy: -0.020
local terms energy: -437.307702
where:
bonds (distance) C4'-P energy: -85.780
bonds (distance) P-C4' energy: -91.906
flat angles C4'-P-C4' energy: -88.950
flat angles P-C4'-P energy: -54.720
tors. eta vs tors. theta energy: -115.952
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: 202
Temperature: 1.050000
Total energy: -1357.770353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.770353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.770353 (E_RNA)
where:
Base-Base interactions energy: -928.161
where: short stacking energy: -399.379
Base-Backbone interact. energy: 0.228
local terms energy: -429.837471
where:
bonds (distance) C4'-P energy: -79.647
bonds (distance) P-C4' energy: -85.710
flat angles C4'-P-C4' energy: -106.927
flat angles P-C4'-P energy: -66.087
tors. eta vs tors. theta energy: -91.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1210.817708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.817708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.817708 (E_RNA)
where:
Base-Base interactions energy: -810.458
where: short stacking energy: -378.230
Base-Backbone interact. energy: -1.592
local terms energy: -398.767963
where:
bonds (distance) C4'-P energy: -69.959
bonds (distance) P-C4' energy: -77.744
flat angles C4'-P-C4' energy: -85.199
flat angles P-C4'-P energy: -56.762
tors. eta vs tors. theta energy: -109.104
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: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1151.769156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.769156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.769156 (E_RNA)
where:
Base-Base interactions energy: -782.659
where: short stacking energy: -347.504
Base-Backbone interact. energy: -3.816
local terms energy: -365.293871
where:
bonds (distance) C4'-P energy: -65.287
bonds (distance) P-C4' energy: -88.621
flat angles C4'-P-C4' energy: -80.550
flat angles P-C4'-P energy: -44.330
tors. eta vs tors. theta energy: -86.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -980.937897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.937897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.937897 (E_RNA)
where:
Base-Base interactions energy: -629.570
where: short stacking energy: -283.915
Base-Backbone interact. energy: -1.003
local terms energy: -350.365184
where:
bonds (distance) C4'-P energy: -70.690
bonds (distance) P-C4' energy: -78.818
flat angles C4'-P-C4' energy: -81.396
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -71.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -809.598890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.598890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.598890 (E_RNA)
where:
Base-Base interactions energy: -495.503
where: short stacking energy: -260.378
Base-Backbone interact. energy: -1.313
local terms energy: -312.783068
where:
bonds (distance) C4'-P energy: -71.527
bonds (distance) P-C4' energy: -70.334
flat angles C4'-P-C4' energy: -82.732
flat angles P-C4'-P energy: -47.328
tors. eta vs tors. theta energy: -40.863
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: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -755.533875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.533875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.533875 (E_RNA)
where:
Base-Base interactions energy: -472.059
where: short stacking energy: -207.779
Base-Backbone interact. energy: -3.180
local terms energy: -280.294262
where:
bonds (distance) C4'-P energy: -66.584
bonds (distance) P-C4' energy: -78.948
flat angles C4'-P-C4' energy: -68.787
flat angles P-C4'-P energy: -45.272
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -717.252929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.252929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.252929 (E_RNA)
where:
Base-Base interactions energy: -432.265
where: short stacking energy: -212.392
Base-Backbone interact. energy: 0.451
local terms energy: -285.438817
where:
bonds (distance) C4'-P energy: -67.468
bonds (distance) P-C4' energy: -81.966
flat angles C4'-P-C4' energy: -70.844
flat angles P-C4'-P energy: -29.000
tors. eta vs tors. theta energy: -36.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1582.583096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.583096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.583096 (E_RNA)
where:
Base-Base interactions energy: -1088.813
where: short stacking energy: -492.445
Base-Backbone interact. energy: -3.670
local terms energy: -490.100040
where:
bonds (distance) C4'-P energy: -86.154
bonds (distance) P-C4' energy: -101.633
flat angles C4'-P-C4' energy: -110.245
flat angles P-C4'-P energy: -58.082
tors. eta vs tors. theta energy: -133.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1465.843035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.843035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.843035 (E_RNA)
where:
Base-Base interactions energy: -983.357
where: short stacking energy: -445.170
Base-Backbone interact. energy: -2.444
local terms energy: -480.041904
where:
bonds (distance) C4'-P energy: -82.747
bonds (distance) P-C4' energy: -87.557
flat angles C4'-P-C4' energy: -100.431
flat angles P-C4'-P energy: -76.165
tors. eta vs tors. theta energy: -133.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1410.172430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.172430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.172430 (E_RNA)
where:
Base-Base interactions energy: -974.852
where: short stacking energy: -425.630
Base-Backbone interact. energy: -0.735
local terms energy: -434.586120
where:
bonds (distance) C4'-P energy: -79.506
bonds (distance) P-C4' energy: -83.655
flat angles C4'-P-C4' energy: -95.869
flat angles P-C4'-P energy: -62.782
tors. eta vs tors. theta energy: -112.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1359.204461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.204461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.204461 (E_RNA)
where:
Base-Base interactions energy: -942.209
where: short stacking energy: -401.827
Base-Backbone interact. energy: -1.750
local terms energy: -415.245318
where:
bonds (distance) C4'-P energy: -91.305
bonds (distance) P-C4' energy: -85.197
flat angles C4'-P-C4' energy: -85.173
flat angles P-C4'-P energy: -56.342
tors. eta vs tors. theta energy: -97.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1248.407892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.407892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.407892 (E_RNA)
where:
Base-Base interactions energy: -793.820
where: short stacking energy: -380.129
Base-Backbone interact. energy: -2.146
local terms energy: -452.442130
where:
bonds (distance) C4'-P energy: -86.159
bonds (distance) P-C4' energy: -92.566
flat angles C4'-P-C4' energy: -101.329
flat angles P-C4'-P energy: -70.128
tors. eta vs tors. theta energy: -102.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1211.293253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.293253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.293253 (E_RNA)
where:
Base-Base interactions energy: -824.401
where: short stacking energy: -339.558
Base-Backbone interact. energy: -1.236
local terms energy: -385.656761
where:
bonds (distance) C4'-P energy: -69.127
bonds (distance) P-C4' energy: -75.541
flat angles C4'-P-C4' energy: -92.319
flat angles P-C4'-P energy: -59.644
tors. eta vs tors. theta energy: -89.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -974.323746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.323746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.323746 (E_RNA)
where:
Base-Base interactions energy: -616.796
where: short stacking energy: -277.941
Base-Backbone interact. energy: 0.834
local terms energy: -358.361695
where:
bonds (distance) C4'-P energy: -77.899
bonds (distance) P-C4' energy: -81.843
flat angles C4'-P-C4' energy: -78.860
flat angles P-C4'-P energy: -60.360
tors. eta vs tors. theta energy: -59.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -869.833031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.833031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.833031 (E_RNA)
where:
Base-Base interactions energy: -538.856
where: short stacking energy: -246.177
Base-Backbone interact. energy: 1.312
local terms energy: -332.289446
where:
bonds (distance) C4'-P energy: -75.188
bonds (distance) P-C4' energy: -88.716
flat angles C4'-P-C4' energy: -73.405
flat angles P-C4'-P energy: -44.309
tors. eta vs tors. theta energy: -50.671
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: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -701.334861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.334861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.334861 (E_RNA)
where:
Base-Base interactions energy: -434.663
where: short stacking energy: -212.106
Base-Backbone interact. energy: -0.061
local terms energy: -266.610624
where:
bonds (distance) C4'-P energy: -64.126
bonds (distance) P-C4' energy: -73.577
flat angles C4'-P-C4' energy: -67.716
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -27.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -678.105538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.105538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.105538 (E_RNA)
where:
Base-Base interactions energy: -390.478
where: short stacking energy: -187.742
Base-Backbone interact. energy: 12.148
local terms energy: -299.775509
where:
bonds (distance) C4'-P energy: -73.747
bonds (distance) P-C4' energy: -87.369
flat angles C4'-P-C4' energy: -77.504
flat angles P-C4'-P energy: -40.570
tors. eta vs tors. theta energy: -20.586
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: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1574.719255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.719255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.719255 (E_RNA)
where:
Base-Base interactions energy: -1064.971
where: short stacking energy: -488.597
Base-Backbone interact. energy: -3.094
local terms energy: -506.653894
where:
bonds (distance) C4'-P energy: -89.239
bonds (distance) P-C4' energy: -100.911
flat angles C4'-P-C4' energy: -106.236
flat angles P-C4'-P energy: -67.137
tors. eta vs tors. theta energy: -143.131
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: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1476.075061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.075061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.075061 (E_RNA)
where:
Base-Base interactions energy: -1009.197
where: short stacking energy: -420.891
Base-Backbone interact. energy: 2.162
local terms energy: -469.040243
where:
bonds (distance) C4'-P energy: -87.450
bonds (distance) P-C4' energy: -85.476
flat angles C4'-P-C4' energy: -105.965
flat angles P-C4'-P energy: -71.722
tors. eta vs tors. theta energy: -118.427
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: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1402.704068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.704068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.704068 (E_RNA)
where:
Base-Base interactions energy: -955.499
where: short stacking energy: -421.798
Base-Backbone interact. energy: -0.812
local terms energy: -446.393104
where:
bonds (distance) C4'-P energy: -83.155
bonds (distance) P-C4' energy: -91.011
flat angles C4'-P-C4' energy: -94.747
flat angles P-C4'-P energy: -73.630
tors. eta vs tors. theta energy: -103.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1369.569929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.569929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.569929 (E_RNA)
where:
Base-Base interactions energy: -955.677
where: short stacking energy: -417.177
Base-Backbone interact. energy: -1.312
local terms energy: -412.580876
where:
bonds (distance) C4'-P energy: -81.081
bonds (distance) P-C4' energy: -84.326
flat angles C4'-P-C4' energy: -89.983
flat angles P-C4'-P energy: -56.684
tors. eta vs tors. theta energy: -100.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1273.282757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.282757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.282757 (E_RNA)
where:
Base-Base interactions energy: -865.425
where: short stacking energy: -378.443
Base-Backbone interact. energy: -2.210
local terms energy: -405.647162
where:
bonds (distance) C4'-P energy: -78.813
bonds (distance) P-C4' energy: -77.758
flat angles C4'-P-C4' energy: -100.611
flat angles P-C4'-P energy: -47.681
tors. eta vs tors. theta energy: -100.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1182.468711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.468711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.468711 (E_RNA)
where:
Base-Base interactions energy: -816.546
where: short stacking energy: -352.526
Base-Backbone interact. energy: -0.476
local terms energy: -365.447303
where:
bonds (distance) C4'-P energy: -74.366
bonds (distance) P-C4' energy: -88.435
flat angles C4'-P-C4' energy: -70.448
flat angles P-C4'-P energy: -40.381
tors. eta vs tors. theta energy: -91.817
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: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -918.035303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.035303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.035303 (E_RNA)
where:
Base-Base interactions energy: -595.827
where: short stacking energy: -284.439
Base-Backbone interact. energy: 1.085
local terms energy: -323.292857
where:
bonds (distance) C4'-P energy: -84.881
bonds (distance) P-C4' energy: -70.901
flat angles C4'-P-C4' energy: -81.108
flat angles P-C4'-P energy: -35.288
tors. eta vs tors. theta energy: -51.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -885.034143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.034143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.034143 (E_RNA)
where:
Base-Base interactions energy: -538.699
where: short stacking energy: -257.719
Base-Backbone interact. energy: -1.661
local terms energy: -344.674335
where:
bonds (distance) C4'-P energy: -76.051
bonds (distance) P-C4' energy: -86.379
flat angles C4'-P-C4' energy: -78.542
flat angles P-C4'-P energy: -47.286
tors. eta vs tors. theta energy: -56.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -749.479283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.479283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.479283 (E_RNA)
where:
Base-Base interactions energy: -456.472
where: short stacking energy: -223.405
Base-Backbone interact. energy: 9.308
local terms energy: -302.315057
where:
bonds (distance) C4'-P energy: -78.338
bonds (distance) P-C4' energy: -78.124
flat angles C4'-P-C4' energy: -64.778
flat angles P-C4'-P energy: -54.320
tors. eta vs tors. theta energy: -26.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -651.506480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.506480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.506480 (E_RNA)
where:
Base-Base interactions energy: -384.563
where: short stacking energy: -175.545
Base-Backbone interact. energy: -0.054
local terms energy: -266.889532
where:
bonds (distance) C4'-P energy: -81.370
bonds (distance) P-C4' energy: -69.982
flat angles C4'-P-C4' energy: -67.210
flat angles P-C4'-P energy: -42.927
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: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1556.778406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.778406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.778406 (E_RNA)
where:
Base-Base interactions energy: -1062.293
where: short stacking energy: -467.023
Base-Backbone interact. energy: 0.210
local terms energy: -494.695958
where:
bonds (distance) C4'-P energy: -93.611
bonds (distance) P-C4' energy: -99.947
flat angles C4'-P-C4' energy: -100.233
flat angles P-C4'-P energy: -69.225
tors. eta vs tors. theta energy: -131.681
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: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1457.534662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.534662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.534662 (E_RNA)
where:
Base-Base interactions energy: -985.949
where: short stacking energy: -429.368
Base-Backbone interact. energy: -2.282
local terms energy: -469.304207
where:
bonds (distance) C4'-P energy: -87.285
bonds (distance) P-C4' energy: -89.808
flat angles C4'-P-C4' energy: -112.016
flat angles P-C4'-P energy: -64.078
tors. eta vs tors. theta energy: -116.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1408.239245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.239245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.239245 (E_RNA)
where:
Base-Base interactions energy: -974.123
where: short stacking energy: -397.820
Base-Backbone interact. energy: 0.128
local terms energy: -434.243943
where:
bonds (distance) C4'-P energy: -85.886
bonds (distance) P-C4' energy: -85.540
flat angles C4'-P-C4' energy: -89.210
flat angles P-C4'-P energy: -64.755
tors. eta vs tors. theta energy: -108.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1330.601134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.601134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.601134 (E_RNA)
where:
Base-Base interactions energy: -907.217
where: short stacking energy: -373.988
Base-Backbone interact. energy: -2.994
local terms energy: -420.390663
where:
bonds (distance) C4'-P energy: -80.077
bonds (distance) P-C4' energy: -82.196
flat angles C4'-P-C4' energy: -93.869
flat angles P-C4'-P energy: -65.874
tors. eta vs tors. theta energy: -98.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1299.174847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.174847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.174847 (E_RNA)
where:
Base-Base interactions energy: -886.489
where: short stacking energy: -382.805
Base-Backbone interact. energy: -3.581
local terms energy: -409.104271
where:
bonds (distance) C4'-P energy: -73.164
bonds (distance) P-C4' energy: -77.796
flat angles C4'-P-C4' energy: -90.508
flat angles P-C4'-P energy: -61.972
tors. eta vs tors. theta energy: -105.664
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: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1212.688476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.688476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.688476 (E_RNA)
where:
Base-Base interactions energy: -798.775
where: short stacking energy: -356.120
Base-Backbone interact. energy: -1.485
local terms energy: -412.428208
where:
bonds (distance) C4'-P energy: -77.568
bonds (distance) P-C4' energy: -81.858
flat angles C4'-P-C4' energy: -92.739
flat angles P-C4'-P energy: -66.891
tors. eta vs tors. theta energy: -93.374
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: 205
Temperature: 1.200000
Total energy: -958.017920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.017920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.017920 (E_RNA)
where:
Base-Base interactions energy: -616.662
where: short stacking energy: -285.947
Base-Backbone interact. energy: 1.208
local terms energy: -342.563722
where:
bonds (distance) C4'-P energy: -82.674
bonds (distance) P-C4' energy: -83.413
flat angles C4'-P-C4' energy: -68.141
flat angles P-C4'-P energy: -54.992
tors. eta vs tors. theta energy: -53.343
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: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -887.848602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.848602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.848602 (E_RNA)
where:
Base-Base interactions energy: -550.453
where: short stacking energy: -256.338
Base-Backbone interact. energy: -1.232
local terms energy: -336.163223
where:
bonds (distance) C4'-P energy: -87.717
bonds (distance) P-C4' energy: -84.700
flat angles C4'-P-C4' energy: -65.920
flat angles P-C4'-P energy: -48.416
tors. eta vs tors. theta energy: -49.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -756.976946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.976946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.976946 (E_RNA)
where:
Base-Base interactions energy: -453.930
where: short stacking energy: -207.031
Base-Backbone interact. energy: -0.151
local terms energy: -302.895313
where:
bonds (distance) C4'-P energy: -72.863
bonds (distance) P-C4' energy: -82.501
flat angles C4'-P-C4' energy: -82.433
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -20.602
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: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -642.452090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.452090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.452090 (E_RNA)
where:
Base-Base interactions energy: -345.660
where: short stacking energy: -183.256
Base-Backbone interact. energy: -0.866
local terms energy: -295.926153
where:
bonds (distance) C4'-P energy: -81.783
bonds (distance) P-C4' energy: -87.450
flat angles C4'-P-C4' energy: -64.432
flat angles P-C4'-P energy: -52.864
tors. eta vs tors. theta energy: -9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1555.939662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.939662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.939662 (E_RNA)
where:
Base-Base interactions energy: -1080.345
where: short stacking energy: -465.008
Base-Backbone interact. energy: -0.248
local terms energy: -475.346743
where:
bonds (distance) C4'-P energy: -90.886
bonds (distance) P-C4' energy: -91.362
flat angles C4'-P-C4' energy: -101.930
flat angles P-C4'-P energy: -68.866
tors. eta vs tors. theta energy: -122.302
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: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1476.449254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.449254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.449254 (E_RNA)
where:
Base-Base interactions energy: -1009.480
where: short stacking energy: -436.133
Base-Backbone interact. energy: -1.884
local terms energy: -465.086092
where:
bonds (distance) C4'-P energy: -80.692
bonds (distance) P-C4' energy: -91.105
flat angles C4'-P-C4' energy: -109.521
flat angles P-C4'-P energy: -59.202
tors. eta vs tors. theta energy: -124.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1412.840597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.840597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.840597 (E_RNA)
where:
Base-Base interactions energy: -946.778
where: short stacking energy: -433.694
Base-Backbone interact. energy: -0.950
local terms energy: -465.112457
where:
bonds (distance) C4'-P energy: -93.952
bonds (distance) P-C4' energy: -99.007
flat angles C4'-P-C4' energy: -98.559
flat angles P-C4'-P energy: -61.820
tors. eta vs tors. theta energy: -111.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1339.530481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.530481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.530481 (E_RNA)
where:
Base-Base interactions energy: -928.311
where: short stacking energy: -382.432
Base-Backbone interact. energy: -2.924
local terms energy: -408.295075
where:
bonds (distance) C4'-P energy: -72.939
bonds (distance) P-C4' energy: -79.592
flat angles C4'-P-C4' energy: -96.683
flat angles P-C4'-P energy: -66.195
tors. eta vs tors. theta energy: -92.886
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: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1297.313646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.313646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.313646 (E_RNA)
where:
Base-Base interactions energy: -880.022
where: short stacking energy: -380.839
Base-Backbone interact. energy: -2.396
local terms energy: -414.895401
where:
bonds (distance) C4'-P energy: -78.764
bonds (distance) P-C4' energy: -77.313
flat angles C4'-P-C4' energy: -98.481
flat angles P-C4'-P energy: -56.033
tors. eta vs tors. theta energy: -104.303
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: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1215.682921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.682921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.682921 (E_RNA)
where:
Base-Base interactions energy: -799.891
where: short stacking energy: -382.543
Base-Backbone interact. energy: 1.695
local terms energy: -417.486961
where:
bonds (distance) C4'-P energy: -77.418
bonds (distance) P-C4' energy: -79.990
flat angles C4'-P-C4' energy: -89.646
flat angles P-C4'-P energy: -68.015
tors. eta vs tors. theta energy: -102.419
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: 206
Temperature: 1.200000
Total energy: -979.800357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.800357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.800357 (E_RNA)
where:
Base-Base interactions energy: -628.691
where: short stacking energy: -291.842
Base-Backbone interact. energy: 0.328
local terms energy: -351.437839
where:
bonds (distance) C4'-P energy: -73.366
bonds (distance) P-C4' energy: -78.332
flat angles C4'-P-C4' energy: -85.645
flat angles P-C4'-P energy: -56.754
tors. eta vs tors. theta energy: -57.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -822.751593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.751593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.751593 (E_RNA)
where:
Base-Base interactions energy: -516.098
where: short stacking energy: -246.117
Base-Backbone interact. energy: 0.199
local terms energy: -306.852959
where:
bonds (distance) C4'-P energy: -61.556
bonds (distance) P-C4' energy: -74.323
flat angles C4'-P-C4' energy: -74.192
flat angles P-C4'-P energy: -54.814
tors. eta vs tors. theta energy: -41.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -792.459224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.459224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.459224 (E_RNA)
where:
Base-Base interactions energy: -478.641
where: short stacking energy: -231.202
Base-Backbone interact. energy: -2.235
local terms energy: -311.582738
where:
bonds (distance) C4'-P energy: -69.829
bonds (distance) P-C4' energy: -78.615
flat angles C4'-P-C4' energy: -71.969
flat angles P-C4'-P energy: -51.082
tors. eta vs tors. theta energy: -40.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -657.016977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.016977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.016977 (E_RNA)
where:
Base-Base interactions energy: -390.378
where: short stacking energy: -202.740
Base-Backbone interact. energy: 1.145
local terms energy: -267.783934
where:
bonds (distance) C4'-P energy: -65.656
bonds (distance) P-C4' energy: -72.888
flat angles C4'-P-C4' energy: -71.918
flat angles P-C4'-P energy: -41.882
tors. eta vs tors. theta energy: -15.440
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: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1567.537664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.537664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.537664 (E_RNA)
where:
Base-Base interactions energy: -1095.343
where: short stacking energy: -493.026
Base-Backbone interact. energy: -1.807
local terms energy: -470.388075
where:
bonds (distance) C4'-P energy: -89.363
bonds (distance) P-C4' energy: -89.387
flat angles C4'-P-C4' energy: -96.823
flat angles P-C4'-P energy: -63.669
tors. eta vs tors. theta energy: -131.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1494.992140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.992140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.992140 (E_RNA)
where:
Base-Base interactions energy: -1010.997
where: short stacking energy: -447.099
Base-Backbone interact. energy: -2.779
local terms energy: -481.216181
where:
bonds (distance) C4'-P energy: -99.501
bonds (distance) P-C4' energy: -98.124
flat angles C4'-P-C4' energy: -106.258
flat angles P-C4'-P energy: -57.314
tors. eta vs tors. theta energy: -120.019
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: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1385.581223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.581223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.581223 (E_RNA)
where:
Base-Base interactions energy: -943.974
where: short stacking energy: -407.919
Base-Backbone interact. energy: -1.618
local terms energy: -439.989540
where:
bonds (distance) C4'-P energy: -84.640
bonds (distance) P-C4' energy: -90.549
flat angles C4'-P-C4' energy: -97.684
flat angles P-C4'-P energy: -65.882
tors. eta vs tors. theta energy: -101.234
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: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1371.236881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.236881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.236881 (E_RNA)
where:
Base-Base interactions energy: -941.344
where: short stacking energy: -398.492
Base-Backbone interact. energy: 1.202
local terms energy: -431.094375
where:
bonds (distance) C4'-P energy: -94.489
bonds (distance) P-C4' energy: -87.559
flat angles C4'-P-C4' energy: -79.111
flat angles P-C4'-P energy: -64.063
tors. eta vs tors. theta energy: -105.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1294.548874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.548874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.548874 (E_RNA)
where:
Base-Base interactions energy: -893.804
where: short stacking energy: -374.058
Base-Backbone interact. energy: -3.595
local terms energy: -397.150116
where:
bonds (distance) C4'-P energy: -68.659
bonds (distance) P-C4' energy: -94.084
flat angles C4'-P-C4' energy: -80.862
flat angles P-C4'-P energy: -53.649
tors. eta vs tors. theta energy: -99.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1195.072417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.072417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.072417 (E_RNA)
where:
Base-Base interactions energy: -785.240
where: short stacking energy: -346.943
Base-Backbone interact. energy: 0.313
local terms energy: -410.145492
where:
bonds (distance) C4'-P energy: -79.098
bonds (distance) P-C4' energy: -99.978
flat angles C4'-P-C4' energy: -93.240
flat angles P-C4'-P energy: -54.833
tors. eta vs tors. theta energy: -82.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1011.951179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.951179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.951179 (E_RNA)
where:
Base-Base interactions energy: -642.342
where: short stacking energy: -292.206
Base-Backbone interact. energy: 0.181
local terms energy: -369.789866
where:
bonds (distance) C4'-P energy: -87.363
bonds (distance) P-C4' energy: -87.845
flat angles C4'-P-C4' energy: -81.122
flat angles P-C4'-P energy: -44.779
tors. eta vs tors. theta energy: -68.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -809.510402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.510402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.510402 (E_RNA)
where:
Base-Base interactions energy: -505.608
where: short stacking energy: -227.589
Base-Backbone interact. energy: 1.332
local terms energy: -305.234112
where:
bonds (distance) C4'-P energy: -74.143
bonds (distance) P-C4' energy: -68.513
flat angles C4'-P-C4' energy: -66.338
flat angles P-C4'-P energy: -66.303
tors. eta vs tors. theta energy: -29.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -807.319467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.319467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.319467 (E_RNA)
where:
Base-Base interactions energy: -519.239
where: short stacking energy: -248.670
Base-Backbone interact. energy: 2.604
local terms energy: -290.684548
where:
bonds (distance) C4'-P energy: -79.985
bonds (distance) P-C4' energy: -64.562
flat angles C4'-P-C4' energy: -58.541
flat angles P-C4'-P energy: -49.895
tors. eta vs tors. theta energy: -37.702
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: 207
Temperature: 1.350000
Total energy: -662.439541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.439541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.439541 (E_RNA)
where:
Base-Base interactions energy: -394.660
where: short stacking energy: -201.033
Base-Backbone interact. energy: 0.080
local terms energy: -267.859420
where:
bonds (distance) C4'-P energy: -70.017
bonds (distance) P-C4' energy: -76.306
flat angles C4'-P-C4' energy: -71.782
flat angles P-C4'-P energy: -28.594
tors. eta vs tors. theta energy: -21.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1526.096005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.096005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.096005 (E_RNA)
where:
Base-Base interactions energy: -1060.462
where: short stacking energy: -460.518
Base-Backbone interact. energy: -0.865
local terms energy: -464.769395
where:
bonds (distance) C4'-P energy: -83.009
bonds (distance) P-C4' energy: -90.895
flat angles C4'-P-C4' energy: -95.688
flat angles P-C4'-P energy: -72.870
tors. eta vs tors. theta energy: -122.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1469.402603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.402603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.402603 (E_RNA)
where:
Base-Base interactions energy: -1004.961
where: short stacking energy: -440.583
Base-Backbone interact. energy: -2.155
local terms energy: -462.287312
where:
bonds (distance) C4'-P energy: -79.979
bonds (distance) P-C4' energy: -89.478
flat angles C4'-P-C4' energy: -104.420
flat angles P-C4'-P energy: -64.198
tors. eta vs tors. theta energy: -124.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1383.225381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.225381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.225381 (E_RNA)
where:
Base-Base interactions energy: -956.890
where: short stacking energy: -407.479
Base-Backbone interact. energy: -1.942
local terms energy: -424.393371
where:
bonds (distance) C4'-P energy: -83.284
bonds (distance) P-C4' energy: -84.721
flat angles C4'-P-C4' energy: -92.642
flat angles P-C4'-P energy: -55.333
tors. eta vs tors. theta energy: -108.414
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: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1372.390010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.390010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.390010 (E_RNA)
where:
Base-Base interactions energy: -934.418
where: short stacking energy: -382.065
Base-Backbone interact. energy: -4.357
local terms energy: -433.614649
where:
bonds (distance) C4'-P energy: -92.908
bonds (distance) P-C4' energy: -77.724
flat angles C4'-P-C4' energy: -89.031
flat angles P-C4'-P energy: -75.332
tors. eta vs tors. theta energy: -98.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1300.468237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.468237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.468237 (E_RNA)
where:
Base-Base interactions energy: -894.187
where: short stacking energy: -386.331
Base-Backbone interact. energy: -2.618
local terms energy: -403.663382
where:
bonds (distance) C4'-P energy: -81.718
bonds (distance) P-C4' energy: -76.591
flat angles C4'-P-C4' energy: -87.706
flat angles P-C4'-P energy: -50.983
tors. eta vs tors. theta energy: -106.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1161.065975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.065975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.065975 (E_RNA)
where:
Base-Base interactions energy: -763.799
where: short stacking energy: -360.656
Base-Backbone interact. energy: -3.276
local terms energy: -393.990559
where:
bonds (distance) C4'-P energy: -90.484
bonds (distance) P-C4' energy: -77.381
flat angles C4'-P-C4' energy: -78.841
flat angles P-C4'-P energy: -47.413
tors. eta vs tors. theta energy: -99.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1016.690449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.690449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.690449 (E_RNA)
where:
Base-Base interactions energy: -663.361
where: short stacking energy: -312.303
Base-Backbone interact. energy: -1.703
local terms energy: -351.626431
where:
bonds (distance) C4'-P energy: -79.190
bonds (distance) P-C4' energy: -89.554
flat angles C4'-P-C4' energy: -66.882
flat angles P-C4'-P energy: -56.872
tors. eta vs tors. theta energy: -59.128
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: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -828.582982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.582982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.582982 (E_RNA)
where:
Base-Base interactions energy: -492.162
where: short stacking energy: -229.556
Base-Backbone interact. energy: -1.775
local terms energy: -334.645538
where:
bonds (distance) C4'-P energy: -66.888
bonds (distance) P-C4' energy: -86.298
flat angles C4'-P-C4' energy: -88.601
flat angles P-C4'-P energy: -57.990
tors. eta vs tors. theta energy: -34.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -814.770786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.770786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.770786 (E_RNA)
where:
Base-Base interactions energy: -503.567
where: short stacking energy: -253.077
Base-Backbone interact. energy: -2.091
local terms energy: -309.112827
where:
bonds (distance) C4'-P energy: -64.903
bonds (distance) P-C4' energy: -75.508
flat angles C4'-P-C4' energy: -78.497
flat angles P-C4'-P energy: -46.563
tors. eta vs tors. theta energy: -43.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -697.406940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.406940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.406940 (E_RNA)
where:
Base-Base interactions energy: -407.659
where: short stacking energy: -201.160
Base-Backbone interact. energy: -0.200
local terms energy: -289.547411
where:
bonds (distance) C4'-P energy: -75.515
bonds (distance) P-C4' energy: -78.360
flat angles C4'-P-C4' energy: -67.570
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -25.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1546.866381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.866381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.866381 (E_RNA)
where:
Base-Base interactions energy: -1056.008
where: short stacking energy: -459.935
Base-Backbone interact. energy: -1.662
local terms energy: -489.196855
where:
bonds (distance) C4'-P energy: -97.662
bonds (distance) P-C4' energy: -101.007
flat angles C4'-P-C4' energy: -100.323
flat angles P-C4'-P energy: -65.184
tors. eta vs tors. theta energy: -125.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1475.004918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.004918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.004918 (E_RNA)
where:
Base-Base interactions energy: -1011.280
where: short stacking energy: -440.913
Base-Backbone interact. energy: 0.077
local terms energy: -463.802041
where:
bonds (distance) C4'-P energy: -86.833
bonds (distance) P-C4' energy: -94.943
flat angles C4'-P-C4' energy: -103.508
flat angles P-C4'-P energy: -63.030
tors. eta vs tors. theta energy: -115.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1411.161101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.161101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.161101 (E_RNA)
where:
Base-Base interactions energy: -972.004
where: short stacking energy: -409.812
Base-Backbone interact. energy: -0.540
local terms energy: -438.617512
where:
bonds (distance) C4'-P energy: -87.179
bonds (distance) P-C4' energy: -86.133
flat angles C4'-P-C4' energy: -90.056
flat angles P-C4'-P energy: -65.872
tors. eta vs tors. theta energy: -109.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1347.611693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.611693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.611693 (E_RNA)
where:
Base-Base interactions energy: -906.543
where: short stacking energy: -395.695
Base-Backbone interact. energy: 1.502
local terms energy: -442.570944
where:
bonds (distance) C4'-P energy: -75.946
bonds (distance) P-C4' energy: -91.034
flat angles C4'-P-C4' energy: -99.224
flat angles P-C4'-P energy: -55.157
tors. eta vs tors. theta energy: -121.209
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: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1315.752612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.752612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.752612 (E_RNA)
where:
Base-Base interactions energy: -919.587
where: short stacking energy: -371.286
Base-Backbone interact. energy: -3.416
local terms energy: -392.750421
where:
bonds (distance) C4'-P energy: -77.217
bonds (distance) P-C4' energy: -78.950
flat angles C4'-P-C4' energy: -79.221
flat angles P-C4'-P energy: -55.543
tors. eta vs tors. theta energy: -101.819
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: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1181.530395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.530395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.530395 (E_RNA)
where:
Base-Base interactions energy: -760.746
where: short stacking energy: -352.903
Base-Backbone interact. energy: -1.815
local terms energy: -418.969455
where:
bonds (distance) C4'-P energy: -87.944
bonds (distance) P-C4' energy: -79.372
flat angles C4'-P-C4' energy: -92.213
flat angles P-C4'-P energy: -65.182
tors. eta vs tors. theta energy: -94.259
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: 209
Temperature: 1.200000
Total energy: -1023.109815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.109815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.109815 (E_RNA)
where:
Base-Base interactions energy: -663.821
where: short stacking energy: -309.137
Base-Backbone interact. energy: 3.655
local terms energy: -362.944748
where:
bonds (distance) C4'-P energy: -66.239
bonds (distance) P-C4' energy: -92.542
flat angles C4'-P-C4' energy: -97.450
flat angles P-C4'-P energy: -47.140
tors. eta vs tors. theta energy: -59.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -786.594840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.594840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.594840 (E_RNA)
where:
Base-Base interactions energy: -481.202
where: short stacking energy: -225.318
Base-Backbone interact. energy: -1.060
local terms energy: -304.332786
where:
bonds (distance) C4'-P energy: -70.748
bonds (distance) P-C4' energy: -68.572
flat angles C4'-P-C4' energy: -76.725
flat angles P-C4'-P energy: -52.843
tors. eta vs tors. theta energy: -35.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -803.740080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.740080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.740080 (E_RNA)
where:
Base-Base interactions energy: -496.319
where: short stacking energy: -242.405
Base-Backbone interact. energy: -1.237
local terms energy: -306.183650
where:
bonds (distance) C4'-P energy: -60.537
bonds (distance) P-C4' energy: -79.547
flat angles C4'-P-C4' energy: -81.349
flat angles P-C4'-P energy: -50.214
tors. eta vs tors. theta energy: -34.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -727.121464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.121464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.121464 (E_RNA)
where:
Base-Base interactions energy: -440.299
where: short stacking energy: -207.766
Base-Backbone interact. energy: 0.882
local terms energy: -287.704307
where:
bonds (distance) C4'-P energy: -74.762
bonds (distance) P-C4' energy: -78.194
flat angles C4'-P-C4' energy: -62.174
flat angles P-C4'-P energy: -46.551
tors. eta vs tors. theta energy: -26.023
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: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1550.067377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.067377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.067377 (E_RNA)
where:
Base-Base interactions energy: -1098.286
where: short stacking energy: -451.185
Base-Backbone interact. energy: -0.406
local terms energy: -451.375377
where:
bonds (distance) C4'-P energy: -88.763
bonds (distance) P-C4' energy: -81.135
flat angles C4'-P-C4' energy: -91.038
flat angles P-C4'-P energy: -73.005
tors. eta vs tors. theta energy: -117.435
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: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1416.700677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.700677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.700677 (E_RNA)
where:
Base-Base interactions energy: -965.780
where: short stacking energy: -439.195
Base-Backbone interact. energy: -1.237
local terms energy: -449.683614
where:
bonds (distance) C4'-P energy: -87.725
bonds (distance) P-C4' energy: -84.121
flat angles C4'-P-C4' energy: -94.456
flat angles P-C4'-P energy: -65.127
tors. eta vs tors. theta energy: -118.255
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: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1448.162734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.162734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.162734 (E_RNA)
where:
Base-Base interactions energy: -989.424
where: short stacking energy: -415.417
Base-Backbone interact. energy: 0.538
local terms energy: -459.276506
where:
bonds (distance) C4'-P energy: -82.130
bonds (distance) P-C4' energy: -93.203
flat angles C4'-P-C4' energy: -102.532
flat angles P-C4'-P energy: -64.920
tors. eta vs tors. theta energy: -116.492
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: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1317.775205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.775205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.775205 (E_RNA)
where:
Base-Base interactions energy: -903.179
where: short stacking energy: -404.303
Base-Backbone interact. energy: -1.812
local terms energy: -412.784256
where:
bonds (distance) C4'-P energy: -80.889
bonds (distance) P-C4' energy: -75.323
flat angles C4'-P-C4' energy: -91.402
flat angles P-C4'-P energy: -62.712
tors. eta vs tors. theta energy: -102.458
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: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1331.356125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.356125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.356125 (E_RNA)
where:
Base-Base interactions energy: -912.800
where: short stacking energy: -386.447
Base-Backbone interact. energy: -1.023
local terms energy: -417.533362
where:
bonds (distance) C4'-P energy: -72.389
bonds (distance) P-C4' energy: -95.530
flat angles C4'-P-C4' energy: -95.501
flat angles P-C4'-P energy: -51.681
tors. eta vs tors. theta energy: -102.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1171.916549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.916549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.916549 (E_RNA)
where:
Base-Base interactions energy: -790.492
where: short stacking energy: -381.297
Base-Backbone interact. energy: -0.686
local terms energy: -380.738533
where:
bonds (distance) C4'-P energy: -68.985
bonds (distance) P-C4' energy: -74.784
flat angles C4'-P-C4' energy: -89.733
flat angles P-C4'-P energy: -48.310
tors. eta vs tors. theta energy: -98.927
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: 210
Temperature: 1.200000
Total energy: -1015.452637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.452637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.452637 (E_RNA)
where:
Base-Base interactions energy: -658.119
where: short stacking energy: -282.114
Base-Backbone interact. energy: 0.004
local terms energy: -357.337591
where:
bonds (distance) C4'-P energy: -87.116
bonds (distance) P-C4' energy: -74.348
flat angles C4'-P-C4' energy: -88.463
flat angles P-C4'-P energy: -63.473
tors. eta vs tors. theta energy: -43.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -778.111820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.111820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.111820 (E_RNA)
where:
Base-Base interactions energy: -472.271
where: short stacking energy: -241.315
Base-Backbone interact. energy: -2.312
local terms energy: -303.528649
where:
bonds (distance) C4'-P energy: -76.157
bonds (distance) P-C4' energy: -85.326
flat angles C4'-P-C4' energy: -78.925
flat angles P-C4'-P energy: -27.685
tors. eta vs tors. theta energy: -35.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -792.939570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.939570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.939570 (E_RNA)
where:
Base-Base interactions energy: -497.898
where: short stacking energy: -225.733
Base-Backbone interact. energy: -0.210
local terms energy: -294.831614
where:
bonds (distance) C4'-P energy: -71.121
bonds (distance) P-C4' energy: -77.310
flat angles C4'-P-C4' energy: -83.956
flat angles P-C4'-P energy: -27.104
tors. eta vs tors. theta energy: -35.341
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: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -740.625497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.625497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.625497 (E_RNA)
where:
Base-Base interactions energy: -456.091
where: short stacking energy: -199.411
Base-Backbone interact. energy: -0.731
local terms energy: -283.804041
where:
bonds (distance) C4'-P energy: -73.184
bonds (distance) P-C4' energy: -73.924
flat angles C4'-P-C4' energy: -72.760
flat angles P-C4'-P energy: -32.459
tors. eta vs tors. theta energy: -31.477
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: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1544.309712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.309712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.309712 (E_RNA)
where:
Base-Base interactions energy: -1064.786
where: short stacking energy: -459.636
Base-Backbone interact. energy: -1.940
local terms energy: -477.583242
where:
bonds (distance) C4'-P energy: -96.096
bonds (distance) P-C4' energy: -92.248
flat angles C4'-P-C4' energy: -99.975
flat angles P-C4'-P energy: -62.090
tors. eta vs tors. theta energy: -127.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1450.166599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.166599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.166599 (E_RNA)
where:
Base-Base interactions energy: -1005.667
where: short stacking energy: -429.691
Base-Backbone interact. energy: -1.159
local terms energy: -443.340231
where:
bonds (distance) C4'-P energy: -87.443
bonds (distance) P-C4' energy: -83.382
flat angles C4'-P-C4' energy: -101.667
flat angles P-C4'-P energy: -54.655
tors. eta vs tors. theta energy: -116.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1408.986111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.986111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.986111 (E_RNA)
where:
Base-Base interactions energy: -970.043
where: short stacking energy: -434.684
Base-Backbone interact. energy: -0.869
local terms energy: -438.074950
where:
bonds (distance) C4'-P energy: -86.827
bonds (distance) P-C4' energy: -81.255
flat angles C4'-P-C4' energy: -92.328
flat angles P-C4'-P energy: -63.211
tors. eta vs tors. theta energy: -114.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1311.129224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.129224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.129224 (E_RNA)
where:
Base-Base interactions energy: -895.681
where: short stacking energy: -404.755
Base-Backbone interact. energy: -1.730
local terms energy: -413.717544
where:
bonds (distance) C4'-P energy: -79.519
bonds (distance) P-C4' energy: -72.321
flat angles C4'-P-C4' energy: -92.481
flat angles P-C4'-P energy: -55.405
tors. eta vs tors. theta energy: -113.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1335.552383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.552383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.552383 (E_RNA)
where:
Base-Base interactions energy: -912.351
where: short stacking energy: -372.249
Base-Backbone interact. energy: -3.055
local terms energy: -420.145880
where:
bonds (distance) C4'-P energy: -76.755
bonds (distance) P-C4' energy: -92.803
flat angles C4'-P-C4' energy: -93.606
flat angles P-C4'-P energy: -59.850
tors. eta vs tors. theta energy: -97.132
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: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1184.897903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.897903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.897903 (E_RNA)
where:
Base-Base interactions energy: -775.139
where: short stacking energy: -347.462
Base-Backbone interact. energy: -0.006
local terms energy: -409.753069
where:
bonds (distance) C4'-P energy: -88.221
bonds (distance) P-C4' energy: -96.694
flat angles C4'-P-C4' energy: -84.286
flat angles P-C4'-P energy: -51.517
tors. eta vs tors. theta energy: -89.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1049.315323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.315323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.315323 (E_RNA)
where:
Base-Base interactions energy: -684.417
where: short stacking energy: -301.620
Base-Backbone interact. energy: -2.053
local terms energy: -362.845396
where:
bonds (distance) C4'-P energy: -83.002
bonds (distance) P-C4' energy: -77.884
flat angles C4'-P-C4' energy: -75.773
flat angles P-C4'-P energy: -59.267
tors. eta vs tors. theta energy: -66.919
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: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -823.846198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.846198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.846198 (E_RNA)
where:
Base-Base interactions energy: -503.333
where: short stacking energy: -245.378
Base-Backbone interact. energy: 1.069
local terms energy: -321.581539
where:
bonds (distance) C4'-P energy: -79.548
bonds (distance) P-C4' energy: -80.569
flat angles C4'-P-C4' energy: -72.322
flat angles P-C4'-P energy: -38.015
tors. eta vs tors. theta energy: -51.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -734.768542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.768542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.768542 (E_RNA)
where:
Base-Base interactions energy: -463.156
where: short stacking energy: -209.251
Base-Backbone interact. energy: -2.427
local terms energy: -269.185975
where:
bonds (distance) C4'-P energy: -71.594
bonds (distance) P-C4' energy: -80.882
flat angles C4'-P-C4' energy: -66.754
flat angles P-C4'-P energy: -30.826
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -709.866813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.866813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.866813 (E_RNA)
where:
Base-Base interactions energy: -444.326
where: short stacking energy: -220.635
Base-Backbone interact. energy: 4.675
local terms energy: -270.215342
where:
bonds (distance) C4'-P energy: -70.391
bonds (distance) P-C4' energy: -79.170
flat angles C4'-P-C4' energy: -46.991
flat angles P-C4'-P energy: -39.502
tors. eta vs tors. theta energy: -34.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1556.456755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.456755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.456755 (E_RNA)
where:
Base-Base interactions energy: -1107.040
where: short stacking energy: -489.207
Base-Backbone interact. energy: 0.834
local terms energy: -450.250926
where:
bonds (distance) C4'-P energy: -99.575
bonds (distance) P-C4' energy: -73.017
flat angles C4'-P-C4' energy: -87.168
flat angles P-C4'-P energy: -65.385
tors. eta vs tors. theta energy: -125.106
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: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1464.797635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.797635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.797635 (E_RNA)
where:
Base-Base interactions energy: -989.779
where: short stacking energy: -428.561
Base-Backbone interact. energy: -2.988
local terms energy: -472.030615
where:
bonds (distance) C4'-P energy: -86.695
bonds (distance) P-C4' energy: -84.666
flat angles C4'-P-C4' energy: -109.890
flat angles P-C4'-P energy: -69.473
tors. eta vs tors. theta energy: -121.308
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: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1441.257490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.257490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.257490 (E_RNA)
where:
Base-Base interactions energy: -1015.152
where: short stacking energy: -435.189
Base-Backbone interact. energy: -2.815
local terms energy: -423.290728
where:
bonds (distance) C4'-P energy: -85.637
bonds (distance) P-C4' energy: -67.547
flat angles C4'-P-C4' energy: -99.795
flat angles P-C4'-P energy: -54.550
tors. eta vs tors. theta energy: -115.762
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: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1316.819035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.819035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.819035 (E_RNA)
where:
Base-Base interactions energy: -867.478
where: short stacking energy: -408.019
Base-Backbone interact. energy: -1.245
local terms energy: -448.096214
where:
bonds (distance) C4'-P energy: -80.673
bonds (distance) P-C4' energy: -81.826
flat angles C4'-P-C4' energy: -100.909
flat angles P-C4'-P energy: -64.414
tors. eta vs tors. theta energy: -120.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1295.922983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.922983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.922983 (E_RNA)
where:
Base-Base interactions energy: -900.260
where: short stacking energy: -354.243
Base-Backbone interact. energy: -4.194
local terms energy: -391.468817
where:
bonds (distance) C4'-P energy: -74.464
bonds (distance) P-C4' energy: -88.835
flat angles C4'-P-C4' energy: -92.712
flat angles P-C4'-P energy: -42.573
tors. eta vs tors. theta energy: -92.884
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: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1191.969038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.969038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.969038 (E_RNA)
where:
Base-Base interactions energy: -777.982
where: short stacking energy: -348.249
Base-Backbone interact. energy: -1.433
local terms energy: -412.553301
where:
bonds (distance) C4'-P energy: -92.339
bonds (distance) P-C4' energy: -77.671
flat angles C4'-P-C4' energy: -88.170
flat angles P-C4'-P energy: -54.459
tors. eta vs tors. theta energy: -99.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1069.912897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.912897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.912897 (E_RNA)
where:
Base-Base interactions energy: -696.339
where: short stacking energy: -301.508
Base-Backbone interact. energy: -0.326
local terms energy: -373.248505
where:
bonds (distance) C4'-P energy: -73.994
bonds (distance) P-C4' energy: -90.307
flat angles C4'-P-C4' energy: -76.423
flat angles P-C4'-P energy: -69.244
tors. eta vs tors. theta energy: -63.281
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: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -846.522846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.522846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.522846 (E_RNA)
where:
Base-Base interactions energy: -535.211
where: short stacking energy: -241.819
Base-Backbone interact. energy: -0.109
local terms energy: -311.202980
where:
bonds (distance) C4'-P energy: -82.789
bonds (distance) P-C4' energy: -80.383
flat angles C4'-P-C4' energy: -76.312
flat angles P-C4'-P energy: -34.586
tors. eta vs tors. theta energy: -37.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -771.147780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.147780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.147780 (E_RNA)
where:
Base-Base interactions energy: -466.968
where: short stacking energy: -232.517
Base-Backbone interact. energy: -0.361
local terms energy: -303.818111
where:
bonds (distance) C4'-P energy: -61.747
bonds (distance) P-C4' energy: -75.012
flat angles C4'-P-C4' energy: -77.753
flat angles P-C4'-P energy: -41.054
tors. eta vs tors. theta energy: -48.252
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: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -683.955877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.955877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.955877 (E_RNA)
where:
Base-Base interactions energy: -421.299
where: short stacking energy: -209.776
Base-Backbone interact. energy: 1.457
local terms energy: -264.114124
where:
bonds (distance) C4'-P energy: -62.374
bonds (distance) P-C4' energy: -83.599
flat angles C4'-P-C4' energy: -60.845
flat angles P-C4'-P energy: -41.886
tors. eta vs tors. theta energy: -15.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1542.186165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.186165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.186165 (E_RNA)
where:
Base-Base interactions energy: -1069.208
where: short stacking energy: -478.676
Base-Backbone interact. energy: -0.076
local terms energy: -472.902535
where:
bonds (distance) C4'-P energy: -89.356
bonds (distance) P-C4' energy: -91.447
flat angles C4'-P-C4' energy: -95.514
flat angles P-C4'-P energy: -74.027
tors. eta vs tors. theta energy: -122.558
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: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1494.707953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.707953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.707953 (E_RNA)
where:
Base-Base interactions energy: -1041.514
where: short stacking energy: -438.693
Base-Backbone interact. energy: -3.035
local terms energy: -450.159526
where:
bonds (distance) C4'-P energy: -81.272
bonds (distance) P-C4' energy: -88.218
flat angles C4'-P-C4' energy: -90.508
flat angles P-C4'-P energy: -63.358
tors. eta vs tors. theta energy: -126.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1394.738794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.738794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.738794 (E_RNA)
where:
Base-Base interactions energy: -956.037
where: short stacking energy: -398.259
Base-Backbone interact. energy: -3.468
local terms energy: -435.233281
where:
bonds (distance) C4'-P energy: -86.975
bonds (distance) P-C4' energy: -90.783
flat angles C4'-P-C4' energy: -95.715
flat angles P-C4'-P energy: -60.961
tors. eta vs tors. theta energy: -100.798
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: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1352.585211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.585211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.585211 (E_RNA)
where:
Base-Base interactions energy: -922.751
where: short stacking energy: -390.199
Base-Backbone interact. energy: -4.036
local terms energy: -425.797539
where:
bonds (distance) C4'-P energy: -88.838
bonds (distance) P-C4' energy: -91.830
flat angles C4'-P-C4' energy: -91.679
flat angles P-C4'-P energy: -50.430
tors. eta vs tors. theta energy: -103.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1265.318633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.318633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.318633 (E_RNA)
where:
Base-Base interactions energy: -866.050
where: short stacking energy: -376.242
Base-Backbone interact. energy: 1.033
local terms energy: -400.301967
where:
bonds (distance) C4'-P energy: -71.799
bonds (distance) P-C4' energy: -93.544
flat angles C4'-P-C4' energy: -94.853
flat angles P-C4'-P energy: -46.192
tors. eta vs tors. theta energy: -93.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1205.363625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.363625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.363625 (E_RNA)
where:
Base-Base interactions energy: -790.337
where: short stacking energy: -353.512
Base-Backbone interact. energy: 0.074
local terms energy: -415.100472
where:
bonds (distance) C4'-P energy: -86.275
bonds (distance) P-C4' energy: -76.115
flat angles C4'-P-C4' energy: -93.294
flat angles P-C4'-P energy: -54.416
tors. eta vs tors. theta energy: -105.000
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: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1066.631907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.631907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.631907 (E_RNA)
where:
Base-Base interactions energy: -687.524
where: short stacking energy: -310.617
Base-Backbone interact. energy: -2.019
local terms energy: -377.088666
where:
bonds (distance) C4'-P energy: -75.686
bonds (distance) P-C4' energy: -87.941
flat angles C4'-P-C4' energy: -82.473
flat angles P-C4'-P energy: -55.350
tors. eta vs tors. theta energy: -75.640
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: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -850.315869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.315869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.315869 (E_RNA)
where:
Base-Base interactions energy: -533.096
where: short stacking energy: -245.428
Base-Backbone interact. energy: -2.720
local terms energy: -314.499935
where:
bonds (distance) C4'-P energy: -72.428
bonds (distance) P-C4' energy: -74.092
flat angles C4'-P-C4' energy: -70.047
flat angles P-C4'-P energy: -42.193
tors. eta vs tors. theta energy: -55.739
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: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -796.745266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.745266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.745266 (E_RNA)
where:
Base-Base interactions energy: -484.104
where: short stacking energy: -223.226
Base-Backbone interact. energy: 4.402
local terms energy: -317.043360
where:
bonds (distance) C4'-P energy: -75.461
bonds (distance) P-C4' energy: -77.821
flat angles C4'-P-C4' energy: -68.686
flat angles P-C4'-P energy: -57.621
tors. eta vs tors. theta energy: -37.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -628.201572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.201572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.201572 (E_RNA)
where:
Base-Base interactions energy: -362.432
where: short stacking energy: -188.568
Base-Backbone interact. energy: 0.368
local terms energy: -266.137729
where:
bonds (distance) C4'-P energy: -65.029
bonds (distance) P-C4' energy: -73.060
flat angles C4'-P-C4' energy: -71.433
flat angles P-C4'-P energy: -36.590
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1562.599092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.599092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.599092 (E_RNA)
where:
Base-Base interactions energy: -1076.063
where: short stacking energy: -478.541
Base-Backbone interact. energy: -1.197
local terms energy: -485.339034
where:
bonds (distance) C4'-P energy: -91.654
bonds (distance) P-C4' energy: -100.348
flat angles C4'-P-C4' energy: -103.128
flat angles P-C4'-P energy: -69.295
tors. eta vs tors. theta energy: -120.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1500.025168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.025168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.025168 (E_RNA)
where:
Base-Base interactions energy: -1041.269
where: short stacking energy: -443.750
Base-Backbone interact. energy: 0.386
local terms energy: -459.141460
where:
bonds (distance) C4'-P energy: -92.606
bonds (distance) P-C4' energy: -90.398
flat angles C4'-P-C4' energy: -87.843
flat angles P-C4'-P energy: -59.613
tors. eta vs tors. theta energy: -128.681
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: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1392.073239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.073239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.073239 (E_RNA)
where:
Base-Base interactions energy: -949.016
where: short stacking energy: -400.078
Base-Backbone interact. energy: -0.749
local terms energy: -442.308894
where:
bonds (distance) C4'-P energy: -83.021
bonds (distance) P-C4' energy: -86.298
flat angles C4'-P-C4' energy: -106.580
flat angles P-C4'-P energy: -62.525
tors. eta vs tors. theta energy: -103.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1342.508912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.508912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.508912 (E_RNA)
where:
Base-Base interactions energy: -908.997
where: short stacking energy: -387.241
Base-Backbone interact. energy: 0.378
local terms energy: -433.890044
where:
bonds (distance) C4'-P energy: -88.619
bonds (distance) P-C4' energy: -88.818
flat angles C4'-P-C4' energy: -98.684
flat angles P-C4'-P energy: -56.148
tors. eta vs tors. theta energy: -101.621
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: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1246.945331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.945331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.945331 (E_RNA)
where:
Base-Base interactions energy: -867.723
where: short stacking energy: -381.438
Base-Backbone interact. energy: -0.552
local terms energy: -378.669742
where:
bonds (distance) C4'-P energy: -61.766
bonds (distance) P-C4' energy: -85.686
flat angles C4'-P-C4' energy: -82.364
flat angles P-C4'-P energy: -63.202
tors. eta vs tors. theta energy: -85.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1141.299054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.299054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.299054 (E_RNA)
where:
Base-Base interactions energy: -772.699
where: short stacking energy: -364.550
Base-Backbone interact. energy: -0.172
local terms energy: -368.428630
where:
bonds (distance) C4'-P energy: -71.514
bonds (distance) P-C4' energy: -76.400
flat angles C4'-P-C4' energy: -91.433
flat angles P-C4'-P energy: -55.245
tors. eta vs tors. theta energy: -73.837
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: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1077.077893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.077893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.077893 (E_RNA)
where:
Base-Base interactions energy: -717.736
where: short stacking energy: -329.666
Base-Backbone interact. energy: 3.096
local terms energy: -362.438139
where:
bonds (distance) C4'-P energy: -73.052
bonds (distance) P-C4' energy: -78.228
flat angles C4'-P-C4' energy: -74.876
flat angles P-C4'-P energy: -48.743
tors. eta vs tors. theta energy: -87.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -833.703297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.703297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.703297 (E_RNA)
where:
Base-Base interactions energy: -514.688
where: short stacking energy: -240.795
Base-Backbone interact. energy: 1.971
local terms energy: -320.986876
where:
bonds (distance) C4'-P energy: -84.095
bonds (distance) P-C4' energy: -68.701
flat angles C4'-P-C4' energy: -84.570
flat angles P-C4'-P energy: -47.128
tors. eta vs tors. theta energy: -36.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -784.196271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.196271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.196271 (E_RNA)
where:
Base-Base interactions energy: -464.084
where: short stacking energy: -215.188
Base-Backbone interact. energy: -0.610
local terms energy: -319.502292
where:
bonds (distance) C4'-P energy: -72.342
bonds (distance) P-C4' energy: -77.813
flat angles C4'-P-C4' energy: -92.785
flat angles P-C4'-P energy: -38.830
tors. eta vs tors. theta energy: -37.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -601.704815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.704815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.704815 (E_RNA)
where:
Base-Base interactions energy: -344.227
where: short stacking energy: -185.664
Base-Backbone interact. energy: -2.658
local terms energy: -254.819673
where:
bonds (distance) C4'-P energy: -73.206
bonds (distance) P-C4' energy: -62.931
flat angles C4'-P-C4' energy: -72.110
flat angles P-C4'-P energy: -44.767
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1531.719598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.719598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.719598 (E_RNA)
where:
Base-Base interactions energy: -1060.303
where: short stacking energy: -479.254
Base-Backbone interact. energy: 2.301
local terms energy: -473.717277
where:
bonds (distance) C4'-P energy: -81.997
bonds (distance) P-C4' energy: -88.551
flat angles C4'-P-C4' energy: -100.699
flat angles P-C4'-P energy: -77.373
tors. eta vs tors. theta energy: -125.097
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: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1513.048360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.048360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.048360 (E_RNA)
where:
Base-Base interactions energy: -1031.966
where: short stacking energy: -443.267
Base-Backbone interact. energy: -3.125
local terms energy: -477.957854
where:
bonds (distance) C4'-P energy: -88.212
bonds (distance) P-C4' energy: -92.408
flat angles C4'-P-C4' energy: -111.717
flat angles P-C4'-P energy: -63.043
tors. eta vs tors. theta energy: -122.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1390.308311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.308311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.308311 (E_RNA)
where:
Base-Base interactions energy: -940.470
where: short stacking energy: -398.435
Base-Backbone interact. energy: -0.694
local terms energy: -449.143945
where:
bonds (distance) C4'-P energy: -85.189
bonds (distance) P-C4' energy: -99.597
flat angles C4'-P-C4' energy: -106.613
flat angles P-C4'-P energy: -64.278
tors. eta vs tors. theta energy: -93.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1338.149735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.149735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.149735 (E_RNA)
where:
Base-Base interactions energy: -937.625
where: short stacking energy: -389.301
Base-Backbone interact. energy: -1.631
local terms energy: -398.893410
where:
bonds (distance) C4'-P energy: -73.621
bonds (distance) P-C4' energy: -86.539
flat angles C4'-P-C4' energy: -92.490
flat angles P-C4'-P energy: -46.257
tors. eta vs tors. theta energy: -99.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1278.250329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.250329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.250329 (E_RNA)
where:
Base-Base interactions energy: -879.469
where: short stacking energy: -374.533
Base-Backbone interact. energy: -0.311
local terms energy: -398.470904
where:
bonds (distance) C4'-P energy: -62.218
bonds (distance) P-C4' energy: -94.253
flat angles C4'-P-C4' energy: -96.179
flat angles P-C4'-P energy: -44.748
tors. eta vs tors. theta energy: -101.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1180.835437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.835437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.835437 (E_RNA)
where:
Base-Base interactions energy: -805.882
where: short stacking energy: -367.295
Base-Backbone interact. energy: -0.865
local terms energy: -374.088122
where:
bonds (distance) C4'-P energy: -81.998
bonds (distance) P-C4' energy: -73.513
flat angles C4'-P-C4' energy: -84.171
flat angles P-C4'-P energy: -38.780
tors. eta vs tors. theta energy: -95.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1064.324648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.324648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.324648 (E_RNA)
where:
Base-Base interactions energy: -733.842
where: short stacking energy: -329.068
Base-Backbone interact. energy: 1.983
local terms energy: -332.465442
where:
bonds (distance) C4'-P energy: -88.360
bonds (distance) P-C4' energy: -70.945
flat angles C4'-P-C4' energy: -70.209
flat angles P-C4'-P energy: -32.824
tors. eta vs tors. theta energy: -70.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -815.372656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.372656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.372656 (E_RNA)
where:
Base-Base interactions energy: -501.949
where: short stacking energy: -244.441
Base-Backbone interact. energy: 1.025
local terms energy: -314.449038
where:
bonds (distance) C4'-P energy: -81.078
bonds (distance) P-C4' energy: -68.954
flat angles C4'-P-C4' energy: -75.179
flat angles P-C4'-P energy: -43.392
tors. eta vs tors. theta energy: -45.845
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: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -807.622594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.622594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.622594 (E_RNA)
where:
Base-Base interactions energy: -488.834
where: short stacking energy: -225.951
Base-Backbone interact. energy: -1.349
local terms energy: -317.440315
where:
bonds (distance) C4'-P energy: -65.308
bonds (distance) P-C4' energy: -84.625
flat angles C4'-P-C4' energy: -80.416
flat angles P-C4'-P energy: -48.238
tors. eta vs tors. theta energy: -38.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -582.697470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.697470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.697470 (E_RNA)
where:
Base-Base interactions energy: -326.618
where: short stacking energy: -155.851
Base-Backbone interact. energy: 2.010
local terms energy: -258.089768
where:
bonds (distance) C4'-P energy: -71.405
bonds (distance) P-C4' energy: -68.321
flat angles C4'-P-C4' energy: -79.400
flat angles P-C4'-P energy: -39.293
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: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1578.317537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.317537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.317537 (E_RNA)
where:
Base-Base interactions energy: -1099.441
where: short stacking energy: -498.317
Base-Backbone interact. energy: -4.252
local terms energy: -474.624542
where:
bonds (distance) C4'-P energy: -84.409
bonds (distance) P-C4' energy: -79.269
flat angles C4'-P-C4' energy: -109.148
flat angles P-C4'-P energy: -64.802
tors. eta vs tors. theta energy: -136.997
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: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1495.857223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.857223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.857223 (E_RNA)
where:
Base-Base interactions energy: -1025.132
where: short stacking energy: -455.482
Base-Backbone interact. energy: -0.933
local terms energy: -469.792199
where:
bonds (distance) C4'-P energy: -87.553
bonds (distance) P-C4' energy: -89.333
flat angles C4'-P-C4' energy: -103.995
flat angles P-C4'-P energy: -70.029
tors. eta vs tors. theta energy: -118.883
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: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1383.999495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.999495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.999495 (E_RNA)
where:
Base-Base interactions energy: -935.080
where: short stacking energy: -399.353
Base-Backbone interact. energy: -2.225
local terms energy: -446.695193
where:
bonds (distance) C4'-P energy: -87.736
bonds (distance) P-C4' energy: -75.405
flat angles C4'-P-C4' energy: -102.024
flat angles P-C4'-P energy: -68.867
tors. eta vs tors. theta energy: -112.663
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: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1335.008763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.008763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.008763 (E_RNA)
where:
Base-Base interactions energy: -921.670
where: short stacking energy: -379.500
Base-Backbone interact. energy: 2.086
local terms energy: -415.423820
where:
bonds (distance) C4'-P energy: -84.923
bonds (distance) P-C4' energy: -87.326
flat angles C4'-P-C4' energy: -97.220
flat angles P-C4'-P energy: -51.527
tors. eta vs tors. theta energy: -94.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1292.039117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.039117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.039117 (E_RNA)
where:
Base-Base interactions energy: -871.027
where: short stacking energy: -362.479
Base-Backbone interact. energy: -1.342
local terms energy: -419.669171
where:
bonds (distance) C4'-P energy: -93.887
bonds (distance) P-C4' energy: -90.179
flat angles C4'-P-C4' energy: -90.104
flat angles P-C4'-P energy: -45.721
tors. eta vs tors. theta energy: -99.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1234.231455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.231455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.231455 (E_RNA)
where:
Base-Base interactions energy: -824.771
where: short stacking energy: -372.501
Base-Backbone interact. energy: -1.362
local terms energy: -408.097670
where:
bonds (distance) C4'-P energy: -86.569
bonds (distance) P-C4' energy: -92.436
flat angles C4'-P-C4' energy: -83.346
flat angles P-C4'-P energy: -55.111
tors. eta vs tors. theta energy: -90.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1077.082629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.082629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.082629 (E_RNA)
where:
Base-Base interactions energy: -727.979
where: short stacking energy: -333.657
Base-Backbone interact. energy: -2.248
local terms energy: -346.855731
where:
bonds (distance) C4'-P energy: -66.623
bonds (distance) P-C4' energy: -76.295
flat angles C4'-P-C4' energy: -79.979
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -79.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -843.147475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.147475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.147475 (E_RNA)
where:
Base-Base interactions energy: -525.657
where: short stacking energy: -240.518
Base-Backbone interact. energy: -0.502
local terms energy: -316.988146
where:
bonds (distance) C4'-P energy: -77.384
bonds (distance) P-C4' energy: -66.366
flat angles C4'-P-C4' energy: -78.383
flat angles P-C4'-P energy: -42.283
tors. eta vs tors. theta energy: -52.571
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: 9, replica: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -788.361891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.361891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.361891 (E_RNA)
where:
Base-Base interactions energy: -478.806
where: short stacking energy: -231.167
Base-Backbone interact. energy: -0.500
local terms energy: -309.056364
where:
bonds (distance) C4'-P energy: -72.567
bonds (distance) P-C4' energy: -82.929
flat angles C4'-P-C4' energy: -84.640
flat angles P-C4'-P energy: -34.111
tors. eta vs tors. theta energy: -34.810
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: 216
Temperature: 1.350000
Total energy: -642.841497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.841497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.841497 (E_RNA)
where:
Base-Base interactions energy: -359.977
where: short stacking energy: -182.000
Base-Backbone interact. energy: -2.988
local terms energy: -279.876535
where:
bonds (distance) C4'-P energy: -79.436
bonds (distance) P-C4' energy: -80.161
flat angles C4'-P-C4' energy: -74.532
flat angles P-C4'-P energy: -32.982
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1560.224971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.224971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.224971 (E_RNA)
where:
Base-Base interactions energy: -1076.174
where: short stacking energy: -457.043
Base-Backbone interact. energy: -2.528
local terms energy: -481.522328
where:
bonds (distance) C4'-P energy: -92.295
bonds (distance) P-C4' energy: -96.553
flat angles C4'-P-C4' energy: -99.050
flat angles P-C4'-P energy: -73.961
tors. eta vs tors. theta energy: -119.664
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: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1485.978722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.978722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.978722 (E_RNA)
where:
Base-Base interactions energy: -1061.779
where: short stacking energy: -438.517
Base-Backbone interact. energy: 1.807
local terms energy: -426.006230
where:
bonds (distance) C4'-P energy: -86.464
bonds (distance) P-C4' energy: -83.943
flat angles C4'-P-C4' energy: -88.991
flat angles P-C4'-P energy: -57.782
tors. eta vs tors. theta energy: -108.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1424.176102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.176102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.176102 (E_RNA)
where:
Base-Base interactions energy: -972.131
where: short stacking energy: -430.786
Base-Backbone interact. energy: -1.220
local terms energy: -450.824559
where:
bonds (distance) C4'-P energy: -86.354
bonds (distance) P-C4' energy: -92.912
flat angles C4'-P-C4' energy: -92.002
flat angles P-C4'-P energy: -63.578
tors. eta vs tors. theta energy: -115.977
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: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1335.896428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.896428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.896428 (E_RNA)
where:
Base-Base interactions energy: -898.372
where: short stacking energy: -384.730
Base-Backbone interact. energy: -1.603
local terms energy: -435.920834
where:
bonds (distance) C4'-P energy: -79.880
bonds (distance) P-C4' energy: -98.965
flat angles C4'-P-C4' energy: -98.659
flat angles P-C4'-P energy: -63.991
tors. eta vs tors. theta energy: -94.426
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: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1313.901371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.901371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.901371 (E_RNA)
where:
Base-Base interactions energy: -893.823
where: short stacking energy: -394.498
Base-Backbone interact. energy: -3.854
local terms energy: -416.224488
where:
bonds (distance) C4'-P energy: -81.350
bonds (distance) P-C4' energy: -81.474
flat angles C4'-P-C4' energy: -97.751
flat angles P-C4'-P energy: -60.320
tors. eta vs tors. theta energy: -95.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1217.612854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.612854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.612854 (E_RNA)
where:
Base-Base interactions energy: -805.956
where: short stacking energy: -349.280
Base-Backbone interact. energy: -0.792
local terms energy: -410.864423
where:
bonds (distance) C4'-P energy: -86.842
bonds (distance) P-C4' energy: -80.894
flat angles C4'-P-C4' energy: -97.882
flat angles P-C4'-P energy: -52.421
tors. eta vs tors. theta energy: -92.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1103.830542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.830542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.830542 (E_RNA)
where:
Base-Base interactions energy: -734.757
where: short stacking energy: -344.648
Base-Backbone interact. energy: 0.116
local terms energy: -369.189958
where:
bonds (distance) C4'-P energy: -75.729
bonds (distance) P-C4' energy: -73.844
flat angles C4'-P-C4' energy: -82.509
flat angles P-C4'-P energy: -63.761
tors. eta vs tors. theta energy: -73.347
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: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -783.394347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.394347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.394347 (E_RNA)
where:
Base-Base interactions energy: -476.527
where: short stacking energy: -218.667
Base-Backbone interact. energy: 3.615
local terms energy: -310.482631
where:
bonds (distance) C4'-P energy: -75.366
bonds (distance) P-C4' energy: -80.007
flat angles C4'-P-C4' energy: -69.008
flat angles P-C4'-P energy: -55.208
tors. eta vs tors. theta energy: -30.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -832.449020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.449020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.449020 (E_RNA)
where:
Base-Base interactions energy: -505.355
where: short stacking energy: -229.639
Base-Backbone interact. energy: -1.439
local terms energy: -325.655089
where:
bonds (distance) C4'-P energy: -76.815
bonds (distance) P-C4' energy: -82.542
flat angles C4'-P-C4' energy: -74.045
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: -37.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -608.790739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.790739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.790739 (E_RNA)
where:
Base-Base interactions energy: -342.886
where: short stacking energy: -162.294
Base-Backbone interact. energy: -0.420
local terms energy: -265.484653
where:
bonds (distance) C4'-P energy: -66.590
bonds (distance) P-C4' energy: -75.713
flat angles C4'-P-C4' energy: -81.350
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1597.272224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.272224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.272224 (E_RNA)
where:
Base-Base interactions energy: -1105.583
where: short stacking energy: -474.060
Base-Backbone interact. energy: -3.102
local terms energy: -488.587678
where:
bonds (distance) C4'-P energy: -89.330
bonds (distance) P-C4' energy: -85.406
flat angles C4'-P-C4' energy: -114.419
flat angles P-C4'-P energy: -72.769
tors. eta vs tors. theta energy: -126.664
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: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1477.203928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.203928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.203928 (E_RNA)
where:
Base-Base interactions energy: -1031.430
where: short stacking energy: -431.630
Base-Backbone interact. energy: -2.531
local terms energy: -443.243262
where:
bonds (distance) C4'-P energy: -84.990
bonds (distance) P-C4' energy: -88.990
flat angles C4'-P-C4' energy: -98.403
flat angles P-C4'-P energy: -69.786
tors. eta vs tors. theta energy: -101.075
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: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1416.937088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.937088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.937088 (E_RNA)
where:
Base-Base interactions energy: -970.035
where: short stacking energy: -413.622
Base-Backbone interact. energy: -2.872
local terms energy: -444.029708
where:
bonds (distance) C4'-P energy: -83.954
bonds (distance) P-C4' energy: -81.807
flat angles C4'-P-C4' energy: -96.301
flat angles P-C4'-P energy: -65.290
tors. eta vs tors. theta energy: -116.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1335.503747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.503747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.503747 (E_RNA)
where:
Base-Base interactions energy: -922.863
where: short stacking energy: -399.972
Base-Backbone interact. energy: -2.621
local terms energy: -410.019701
where:
bonds (distance) C4'-P energy: -74.059
bonds (distance) P-C4' energy: -97.813
flat angles C4'-P-C4' energy: -89.788
flat angles P-C4'-P energy: -55.286
tors. eta vs tors. theta energy: -93.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1332.545697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.545697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.545697 (E_RNA)
where:
Base-Base interactions energy: -916.322
where: short stacking energy: -405.290
Base-Backbone interact. energy: 0.733
local terms energy: -416.956843
where:
bonds (distance) C4'-P energy: -77.132
bonds (distance) P-C4' energy: -81.310
flat angles C4'-P-C4' energy: -93.946
flat angles P-C4'-P energy: -52.798
tors. eta vs tors. theta energy: -111.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1203.076387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.076387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.076387 (E_RNA)
where:
Base-Base interactions energy: -840.070
where: short stacking energy: -377.168
Base-Backbone interact. energy: -0.129
local terms energy: -362.877872
where:
bonds (distance) C4'-P energy: -74.700
bonds (distance) P-C4' energy: -81.609
flat angles C4'-P-C4' energy: -81.363
flat angles P-C4'-P energy: -34.145
tors. eta vs tors. theta energy: -91.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1124.612663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.612663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.612663 (E_RNA)
where:
Base-Base interactions energy: -754.791
where: short stacking energy: -333.411
Base-Backbone interact. energy: -2.201
local terms energy: -367.620459
where:
bonds (distance) C4'-P energy: -81.784
bonds (distance) P-C4' energy: -69.408
flat angles C4'-P-C4' energy: -93.935
flat angles P-C4'-P energy: -45.415
tors. eta vs tors. theta energy: -77.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -801.393794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.393794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.393794 (E_RNA)
where:
Base-Base interactions energy: -484.124
where: short stacking energy: -225.067
Base-Backbone interact. energy: -2.020
local terms energy: -315.249571
where:
bonds (distance) C4'-P energy: -75.633
bonds (distance) P-C4' energy: -90.536
flat angles C4'-P-C4' energy: -74.088
flat angles P-C4'-P energy: -47.155
tors. eta vs tors. theta energy: -27.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -720.161692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.161692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.161692 (E_RNA)
where:
Base-Base interactions energy: -467.807
where: short stacking energy: -223.980
Base-Backbone interact. energy: -3.296
local terms energy: -249.058644
where:
bonds (distance) C4'-P energy: -63.161
bonds (distance) P-C4' energy: -69.007
flat angles C4'-P-C4' energy: -61.788
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -34.210
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: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -662.784793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.784793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.784793 (E_RNA)
where:
Base-Base interactions energy: -361.634
where: short stacking energy: -197.354
Base-Backbone interact. energy: -3.305
local terms energy: -297.846031
where:
bonds (distance) C4'-P energy: -65.124
bonds (distance) P-C4' energy: -86.626
flat angles C4'-P-C4' energy: -80.596
flat angles P-C4'-P energy: -37.667
tors. eta vs tors. theta energy: -27.833
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: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1577.833903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.833903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.833903 (E_RNA)
where:
Base-Base interactions energy: -1094.255
where: short stacking energy: -454.968
Base-Backbone interact. energy: -1.121
local terms energy: -482.457892
where:
bonds (distance) C4'-P energy: -84.497
bonds (distance) P-C4' energy: -96.480
flat angles C4'-P-C4' energy: -106.997
flat angles P-C4'-P energy: -66.801
tors. eta vs tors. theta energy: -127.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1475.685464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.685464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.685464 (E_RNA)
where:
Base-Base interactions energy: -1002.365
where: short stacking energy: -437.403
Base-Backbone interact. energy: 0.616
local terms energy: -473.936437
where:
bonds (distance) C4'-P energy: -93.537
bonds (distance) P-C4' energy: -87.294
flat angles C4'-P-C4' energy: -100.494
flat angles P-C4'-P energy: -73.100
tors. eta vs tors. theta energy: -119.511
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: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1432.955282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.955282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.955282 (E_RNA)
where:
Base-Base interactions energy: -989.502
where: short stacking energy: -424.177
Base-Backbone interact. energy: -0.723
local terms energy: -442.730158
where:
bonds (distance) C4'-P energy: -76.343
bonds (distance) P-C4' energy: -101.273
flat angles C4'-P-C4' energy: -86.236
flat angles P-C4'-P energy: -67.675
tors. eta vs tors. theta energy: -111.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1401.834392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.834392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.834392 (E_RNA)
where:
Base-Base interactions energy: -955.322
where: short stacking energy: -435.480
Base-Backbone interact. energy: -2.247
local terms energy: -444.265238
where:
bonds (distance) C4'-P energy: -82.607
bonds (distance) P-C4' energy: -90.822
flat angles C4'-P-C4' energy: -99.255
flat angles P-C4'-P energy: -56.760
tors. eta vs tors. theta energy: -114.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1299.929510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.929510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.929510 (E_RNA)
where:
Base-Base interactions energy: -889.390
where: short stacking energy: -386.166
Base-Backbone interact. energy: -0.624
local terms energy: -409.916242
where:
bonds (distance) C4'-P energy: -70.961
bonds (distance) P-C4' energy: -92.077
flat angles C4'-P-C4' energy: -89.518
flat angles P-C4'-P energy: -58.061
tors. eta vs tors. theta energy: -99.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1238.026605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.026605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.026605 (E_RNA)
where:
Base-Base interactions energy: -839.340
where: short stacking energy: -363.061
Base-Backbone interact. energy: 1.350
local terms energy: -400.036081
where:
bonds (distance) C4'-P energy: -85.997
bonds (distance) P-C4' energy: -82.897
flat angles C4'-P-C4' energy: -87.748
flat angles P-C4'-P energy: -52.170
tors. eta vs tors. theta energy: -91.225
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: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1055.438841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.438841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.438841 (E_RNA)
where:
Base-Base interactions energy: -707.097
where: short stacking energy: -316.818
Base-Backbone interact. energy: 1.863
local terms energy: -350.205066
where:
bonds (distance) C4'-P energy: -60.240
bonds (distance) P-C4' energy: -82.707
flat angles C4'-P-C4' energy: -83.399
flat angles P-C4'-P energy: -52.663
tors. eta vs tors. theta energy: -71.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -834.744780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.744780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.744780 (E_RNA)
where:
Base-Base interactions energy: -519.446
where: short stacking energy: -252.759
Base-Backbone interact. energy: 3.493
local terms energy: -318.791633
where:
bonds (distance) C4'-P energy: -64.217
bonds (distance) P-C4' energy: -74.698
flat angles C4'-P-C4' energy: -86.269
flat angles P-C4'-P energy: -52.975
tors. eta vs tors. theta energy: -40.633
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: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -751.305415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.305415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.305415 (E_RNA)
where:
Base-Base interactions energy: -457.439
where: short stacking energy: -224.425
Base-Backbone interact. energy: -1.254
local terms energy: -292.612402
where:
bonds (distance) C4'-P energy: -61.673
bonds (distance) P-C4' energy: -73.448
flat angles C4'-P-C4' energy: -68.845
flat angles P-C4'-P energy: -49.181
tors. eta vs tors. theta energy: -39.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -589.270435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.270435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.270435 (E_RNA)
where:
Base-Base interactions energy: -354.293
where: short stacking energy: -183.248
Base-Backbone interact. energy: 1.324
local terms energy: -236.301557
where:
bonds (distance) C4'-P energy: -60.593
bonds (distance) P-C4' energy: -78.192
flat angles C4'-P-C4' energy: -63.250
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1616.123411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.123411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.123411 (E_RNA)
where:
Base-Base interactions energy: -1137.888
where: short stacking energy: -484.058
Base-Backbone interact. energy: -3.413
local terms energy: -474.822743
where:
bonds (distance) C4'-P energy: -94.704
bonds (distance) P-C4' energy: -80.560
flat angles C4'-P-C4' energy: -98.000
flat angles P-C4'-P energy: -72.115
tors. eta vs tors. theta energy: -129.444
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: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1439.907632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.907632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.907632 (E_RNA)
where:
Base-Base interactions energy: -981.791
where: short stacking energy: -422.495
Base-Backbone interact. energy: -2.151
local terms energy: -455.965943
where:
bonds (distance) C4'-P energy: -97.778
bonds (distance) P-C4' energy: -86.167
flat angles C4'-P-C4' energy: -101.298
flat angles P-C4'-P energy: -69.147
tors. eta vs tors. theta energy: -101.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1467.588678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.588678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.588678 (E_RNA)
where:
Base-Base interactions energy: -1031.490
where: short stacking energy: -425.892
Base-Backbone interact. energy: -2.120
local terms energy: -433.978462
where:
bonds (distance) C4'-P energy: -87.949
bonds (distance) P-C4' energy: -76.784
flat angles C4'-P-C4' energy: -97.406
flat angles P-C4'-P energy: -61.579
tors. eta vs tors. theta energy: -110.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1375.363287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.363287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.363287 (E_RNA)
where:
Base-Base interactions energy: -938.645
where: short stacking energy: -407.430
Base-Backbone interact. energy: -2.357
local terms energy: -434.360974
where:
bonds (distance) C4'-P energy: -73.092
bonds (distance) P-C4' energy: -83.004
flat angles C4'-P-C4' energy: -88.581
flat angles P-C4'-P energy: -58.153
tors. eta vs tors. theta energy: -131.530
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: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1309.095502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.095502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.095502 (E_RNA)
where:
Base-Base interactions energy: -896.251
where: short stacking energy: -390.879
Base-Backbone interact. energy: 0.649
local terms energy: -413.493732
where:
bonds (distance) C4'-P energy: -87.819
bonds (distance) P-C4' energy: -88.713
flat angles C4'-P-C4' energy: -94.827
flat angles P-C4'-P energy: -51.931
tors. eta vs tors. theta energy: -90.204
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: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1255.455903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.455903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.455903 (E_RNA)
where:
Base-Base interactions energy: -856.823
where: short stacking energy: -386.542
Base-Backbone interact. energy: 6.243
local terms energy: -404.875760
where:
bonds (distance) C4'-P energy: -69.305
bonds (distance) P-C4' energy: -78.991
flat angles C4'-P-C4' energy: -100.028
flat angles P-C4'-P energy: -54.394
tors. eta vs tors. theta energy: -102.158
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: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1065.371041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.371041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.371041 (E_RNA)
where:
Base-Base interactions energy: -692.535
where: short stacking energy: -288.930
Base-Backbone interact. energy: -1.448
local terms energy: -371.387403
where:
bonds (distance) C4'-P energy: -83.064
bonds (distance) P-C4' energy: -85.857
flat angles C4'-P-C4' energy: -82.496
flat angles P-C4'-P energy: -52.626
tors. eta vs tors. theta energy: -67.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -814.820341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.820341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.820341 (E_RNA)
where:
Base-Base interactions energy: -531.896
where: short stacking energy: -228.189
Base-Backbone interact. energy: -0.665
local terms energy: -282.259645
where:
bonds (distance) C4'-P energy: -71.915
bonds (distance) P-C4' energy: -79.110
flat angles C4'-P-C4' energy: -50.766
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -43.447
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: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -755.955350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.955350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.955350 (E_RNA)
where:
Base-Base interactions energy: -467.585
where: short stacking energy: -218.206
Base-Backbone interact. energy: -1.138
local terms energy: -287.232446
where:
bonds (distance) C4'-P energy: -72.504
bonds (distance) P-C4' energy: -58.654
flat angles C4'-P-C4' energy: -79.530
flat angles P-C4'-P energy: -45.711
tors. eta vs tors. theta energy: -30.833
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: 220
Temperature: 1.350000
Total energy: -655.170003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.170003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.170003 (E_RNA)
where:
Base-Base interactions energy: -375.540
where: short stacking energy: -190.790
Base-Backbone interact. energy: -0.391
local terms energy: -279.238592
where:
bonds (distance) C4'-P energy: -79.014
bonds (distance) P-C4' energy: -74.887
flat angles C4'-P-C4' energy: -73.220
flat angles P-C4'-P energy: -25.721
tors. eta vs tors. theta energy: -26.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1607.986095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.986095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.986095 (E_RNA)
where:
Base-Base interactions energy: -1102.413
where: short stacking energy: -472.549
Base-Backbone interact. energy: -3.588
local terms energy: -501.985696
where:
bonds (distance) C4'-P energy: -93.448
bonds (distance) P-C4' energy: -96.236
flat angles C4'-P-C4' energy: -105.397
flat angles P-C4'-P energy: -66.207
tors. eta vs tors. theta energy: -140.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1535.381424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.381424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.381424 (E_RNA)
where:
Base-Base interactions energy: -1056.689
where: short stacking energy: -456.888
Base-Backbone interact. energy: -4.073
local terms energy: -474.619730
where:
bonds (distance) C4'-P energy: -82.592
bonds (distance) P-C4' energy: -84.647
flat angles C4'-P-C4' energy: -103.247
flat angles P-C4'-P energy: -72.056
tors. eta vs tors. theta energy: -132.079
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: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1415.137986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.137986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.137986 (E_RNA)
where:
Base-Base interactions energy: -975.696
where: short stacking energy: -415.459
Base-Backbone interact. energy: -0.063
local terms energy: -439.378220
where:
bonds (distance) C4'-P energy: -78.908
bonds (distance) P-C4' energy: -95.272
flat angles C4'-P-C4' energy: -93.421
flat angles P-C4'-P energy: -69.929
tors. eta vs tors. theta energy: -101.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1357.328242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.328242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.328242 (E_RNA)
where:
Base-Base interactions energy: -951.174
where: short stacking energy: -410.502
Base-Backbone interact. energy: -2.059
local terms energy: -404.095470
where:
bonds (distance) C4'-P energy: -83.807
bonds (distance) P-C4' energy: -80.995
flat angles C4'-P-C4' energy: -83.235
flat angles P-C4'-P energy: -55.066
tors. eta vs tors. theta energy: -100.992
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: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1266.752075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.752075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.752075 (E_RNA)
where:
Base-Base interactions energy: -855.135
where: short stacking energy: -350.114
Base-Backbone interact. energy: -3.490
local terms energy: -408.127178
where:
bonds (distance) C4'-P energy: -79.938
bonds (distance) P-C4' energy: -80.126
flat angles C4'-P-C4' energy: -89.701
flat angles P-C4'-P energy: -59.580
tors. eta vs tors. theta energy: -98.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1232.031013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.031013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.031013 (E_RNA)
where:
Base-Base interactions energy: -839.271
where: short stacking energy: -369.419
Base-Backbone interact. energy: 0.008
local terms energy: -392.768984
where:
bonds (distance) C4'-P energy: -64.833
bonds (distance) P-C4' energy: -91.592
flat angles C4'-P-C4' energy: -82.830
flat angles P-C4'-P energy: -52.340
tors. eta vs tors. theta energy: -101.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1098.372065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.372065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.372065 (E_RNA)
where:
Base-Base interactions energy: -751.962
where: short stacking energy: -325.779
Base-Backbone interact. energy: 1.330
local terms energy: -347.739432
where:
bonds (distance) C4'-P energy: -65.743
bonds (distance) P-C4' energy: -85.398
flat angles C4'-P-C4' energy: -73.415
flat angles P-C4'-P energy: -57.395
tors. eta vs tors. theta energy: -65.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -796.750447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.750447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.750447 (E_RNA)
where:
Base-Base interactions energy: -475.550
where: short stacking energy: -230.846
Base-Backbone interact. energy: 1.023
local terms energy: -322.223627
where:
bonds (distance) C4'-P energy: -84.960
bonds (distance) P-C4' energy: -70.047
flat angles C4'-P-C4' energy: -92.449
flat angles P-C4'-P energy: -42.152
tors. eta vs tors. theta energy: -32.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -776.826347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.826347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.826347 (E_RNA)
where:
Base-Base interactions energy: -460.300
where: short stacking energy: -217.582
Base-Backbone interact. energy: -3.959
local terms energy: -312.567271
where:
bonds (distance) C4'-P energy: -79.058
bonds (distance) P-C4' energy: -90.226
flat angles C4'-P-C4' energy: -80.489
flat angles P-C4'-P energy: -34.231
tors. eta vs tors. theta energy: -28.562
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: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -620.761845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.761845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.761845 (E_RNA)
where:
Base-Base interactions energy: -358.114
where: short stacking energy: -191.404
Base-Backbone interact. energy: -0.564
local terms energy: -262.084052
where:
bonds (distance) C4'-P energy: -62.275
bonds (distance) P-C4' energy: -78.007
flat angles C4'-P-C4' energy: -70.221
flat angles P-C4'-P energy: -43.026
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1582.481947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.481947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.481947 (E_RNA)
where:
Base-Base interactions energy: -1100.651
where: short stacking energy: -484.162
Base-Backbone interact. energy: -1.274
local terms energy: -480.557686
where:
bonds (distance) C4'-P energy: -87.337
bonds (distance) P-C4' energy: -89.371
flat angles C4'-P-C4' energy: -93.106
flat angles P-C4'-P energy: -72.019
tors. eta vs tors. theta energy: -138.725
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: 222
Temperature: 0.950000
Total energy: -1463.890169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.890169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.890169 (E_RNA)
where:
Base-Base interactions energy: -1005.814
where: short stacking energy: -455.081
Base-Backbone interact. energy: 6.918
local terms energy: -464.994171
where:
bonds (distance) C4'-P energy: -94.113
bonds (distance) P-C4' energy: -92.207
flat angles C4'-P-C4' energy: -101.410
flat angles P-C4'-P energy: -60.177
tors. eta vs tors. theta energy: -117.087
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: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1442.558948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.558948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.558948 (E_RNA)
where:
Base-Base interactions energy: -986.199
where: short stacking energy: -447.578
Base-Backbone interact. energy: -2.393
local terms energy: -453.967462
where:
bonds (distance) C4'-P energy: -87.726
bonds (distance) P-C4' energy: -79.833
flat angles C4'-P-C4' energy: -102.768
flat angles P-C4'-P energy: -58.613
tors. eta vs tors. theta energy: -125.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1364.980432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.980432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.980432 (E_RNA)
where:
Base-Base interactions energy: -943.716
where: short stacking energy: -407.459
Base-Backbone interact. energy: -1.311
local terms energy: -419.953342
where:
bonds (distance) C4'-P energy: -72.316
bonds (distance) P-C4' energy: -77.986
flat angles C4'-P-C4' energy: -99.612
flat angles P-C4'-P energy: -63.032
tors. eta vs tors. theta energy: -107.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1279.468854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.468854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.468854 (E_RNA)
where:
Base-Base interactions energy: -880.702
where: short stacking energy: -357.789
Base-Backbone interact. energy: 0.965
local terms energy: -399.732332
where:
bonds (distance) C4'-P energy: -76.104
bonds (distance) P-C4' energy: -75.406
flat angles C4'-P-C4' energy: -96.629
flat angles P-C4'-P energy: -61.955
tors. eta vs tors. theta energy: -89.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1280.397093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.397093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.397093 (E_RNA)
where:
Base-Base interactions energy: -862.290
where: short stacking energy: -396.956
Base-Backbone interact. energy: 3.780
local terms energy: -421.887205
where:
bonds (distance) C4'-P energy: -71.594
bonds (distance) P-C4' energy: -79.930
flat angles C4'-P-C4' energy: -93.493
flat angles P-C4'-P energy: -69.007
tors. eta vs tors. theta energy: -107.864
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: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1049.050456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.050456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.050456 (E_RNA)
where:
Base-Base interactions energy: -683.065
where: short stacking energy: -309.281
Base-Backbone interact. energy: -0.159
local terms energy: -365.827136
where:
bonds (distance) C4'-P energy: -82.300
bonds (distance) P-C4' energy: -82.413
flat angles C4'-P-C4' energy: -88.310
flat angles P-C4'-P energy: -59.509
tors. eta vs tors. theta energy: -53.295
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: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -831.931267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.931267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.931267 (E_RNA)
where:
Base-Base interactions energy: -506.447
where: short stacking energy: -254.182
Base-Backbone interact. energy: 1.507
local terms energy: -326.991306
where:
bonds (distance) C4'-P energy: -59.834
bonds (distance) P-C4' energy: -85.280
flat angles C4'-P-C4' energy: -74.834
flat angles P-C4'-P energy: -63.875
tors. eta vs tors. theta energy: -43.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -807.727922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.727922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.727922 (E_RNA)
where:
Base-Base interactions energy: -498.091
where: short stacking energy: -257.311
Base-Backbone interact. energy: 3.028
local terms energy: -312.664135
where:
bonds (distance) C4'-P energy: -73.023
bonds (distance) P-C4' energy: -79.298
flat angles C4'-P-C4' energy: -77.133
flat angles P-C4'-P energy: -46.961
tors. eta vs tors. theta energy: -36.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -658.936978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.936978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.936978 (E_RNA)
where:
Base-Base interactions energy: -385.171
where: short stacking energy: -212.803
Base-Backbone interact. energy: 2.467
local terms energy: -276.232742
where:
bonds (distance) C4'-P energy: -74.632
bonds (distance) P-C4' energy: -77.179
flat angles C4'-P-C4' energy: -64.268
flat angles P-C4'-P energy: -29.948
tors. eta vs tors. theta energy: -30.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1590.951808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.951808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.951808 (E_RNA)
where:
Base-Base interactions energy: -1097.535
where: short stacking energy: -469.743
Base-Backbone interact. energy: -2.480
local terms energy: -490.937078
where:
bonds (distance) C4'-P energy: -96.914
bonds (distance) P-C4' energy: -91.989
flat angles C4'-P-C4' energy: -101.749
flat angles P-C4'-P energy: -64.741
tors. eta vs tors. theta energy: -135.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1498.355423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.355423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.355423 (E_RNA)
where:
Base-Base interactions energy: -1052.025
where: short stacking energy: -458.570
Base-Backbone interact. energy: -0.841
local terms energy: -445.489756
where:
bonds (distance) C4'-P energy: -81.864
bonds (distance) P-C4' energy: -83.077
flat angles C4'-P-C4' energy: -93.629
flat angles P-C4'-P energy: -52.244
tors. eta vs tors. theta energy: -134.676
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: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1424.004819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.004819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.004819 (E_RNA)
where:
Base-Base interactions energy: -964.841
where: short stacking energy: -442.135
Base-Backbone interact. energy: -0.515
local terms energy: -458.649371
where:
bonds (distance) C4'-P energy: -84.646
bonds (distance) P-C4' energy: -80.185
flat angles C4'-P-C4' energy: -91.129
flat angles P-C4'-P energy: -75.136
tors. eta vs tors. theta energy: -127.553
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: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1338.622972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.622972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.622972 (E_RNA)
where:
Base-Base interactions energy: -911.219
where: short stacking energy: -413.934
Base-Backbone interact. energy: -1.173
local terms energy: -426.231611
where:
bonds (distance) C4'-P energy: -78.023
bonds (distance) P-C4' energy: -88.692
flat angles C4'-P-C4' energy: -100.088
flat angles P-C4'-P energy: -54.182
tors. eta vs tors. theta energy: -105.246
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: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1325.345287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.345287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.345287 (E_RNA)
where:
Base-Base interactions energy: -908.197
where: short stacking energy: -402.985
Base-Backbone interact. energy: 0.497
local terms energy: -417.645189
where:
bonds (distance) C4'-P energy: -78.242
bonds (distance) P-C4' energy: -88.528
flat angles C4'-P-C4' energy: -90.569
flat angles P-C4'-P energy: -64.718
tors. eta vs tors. theta energy: -95.589
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: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1246.346723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.346723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.346723 (E_RNA)
where:
Base-Base interactions energy: -825.488
where: short stacking energy: -368.319
Base-Backbone interact. energy: 2.288
local terms energy: -423.146704
where:
bonds (distance) C4'-P energy: -77.126
bonds (distance) P-C4' energy: -80.995
flat angles C4'-P-C4' energy: -101.450
flat angles P-C4'-P energy: -61.065
tors. eta vs tors. theta energy: -102.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1056.309972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.309972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.309972 (E_RNA)
where:
Base-Base interactions energy: -707.616
where: short stacking energy: -328.422
Base-Backbone interact. energy: 0.686
local terms energy: -349.379971
where:
bonds (distance) C4'-P energy: -64.879
bonds (distance) P-C4' energy: -63.834
flat angles C4'-P-C4' energy: -91.946
flat angles P-C4'-P energy: -59.437
tors. eta vs tors. theta energy: -69.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -857.492041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.492041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.492041 (E_RNA)
where:
Base-Base interactions energy: -543.870
where: short stacking energy: -271.976
Base-Backbone interact. energy: -3.138
local terms energy: -310.484131
where:
bonds (distance) C4'-P energy: -75.993
bonds (distance) P-C4' energy: -81.007
flat angles C4'-P-C4' energy: -65.304
flat angles P-C4'-P energy: -43.486
tors. eta vs tors. theta energy: -44.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -769.523236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.523236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.523236 (E_RNA)
where:
Base-Base interactions energy: -449.550
where: short stacking energy: -202.256
Base-Backbone interact. energy: 0.230
local terms energy: -320.202732
where:
bonds (distance) C4'-P energy: -62.691
bonds (distance) P-C4' energy: -74.558
flat angles C4'-P-C4' energy: -99.318
flat angles P-C4'-P energy: -47.216
tors. eta vs tors. theta energy: -36.420
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: 223
Temperature: 1.350000
Total energy: -649.461856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.461856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.461856 (E_RNA)
where:
Base-Base interactions energy: -339.256
where: short stacking energy: -173.623
Base-Backbone interact. energy: -2.102
local terms energy: -308.103859
where:
bonds (distance) C4'-P energy: -66.755
bonds (distance) P-C4' energy: -94.911
flat angles C4'-P-C4' energy: -81.081
flat angles P-C4'-P energy: -44.991
tors. eta vs tors. theta energy: -20.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1569.019802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.019802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.019802 (E_RNA)
where:
Base-Base interactions energy: -1069.792
where: short stacking energy: -460.588
Base-Backbone interact. energy: 1.080
local terms energy: -500.308273
where:
bonds (distance) C4'-P energy: -97.339
bonds (distance) P-C4' energy: -97.216
flat angles C4'-P-C4' energy: -100.405
flat angles P-C4'-P energy: -79.762
tors. eta vs tors. theta energy: -125.587
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: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1498.655566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.655566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.655566 (E_RNA)
where:
Base-Base interactions energy: -1042.339
where: short stacking energy: -464.773
Base-Backbone interact. energy: -1.819
local terms energy: -454.497652
where:
bonds (distance) C4'-P energy: -78.419
bonds (distance) P-C4' energy: -94.734
flat angles C4'-P-C4' energy: -93.058
flat angles P-C4'-P energy: -65.027
tors. eta vs tors. theta energy: -123.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1423.307935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.307935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.307935 (E_RNA)
where:
Base-Base interactions energy: -958.332
where: short stacking energy: -426.077
Base-Backbone interact. energy: -1.733
local terms energy: -463.243017
where:
bonds (distance) C4'-P energy: -81.691
bonds (distance) P-C4' energy: -92.700
flat angles C4'-P-C4' energy: -98.267
flat angles P-C4'-P energy: -70.995
tors. eta vs tors. theta energy: -119.589
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: 224
Temperature: 1.050000
Total energy: -1376.680419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.680419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.680419 (E_RNA)
where:
Base-Base interactions energy: -939.105
where: short stacking energy: -396.032
Base-Backbone interact. energy: -1.042
local terms energy: -436.533135
where:
bonds (distance) C4'-P energy: -95.811
bonds (distance) P-C4' energy: -74.700
flat angles C4'-P-C4' energy: -92.560
flat angles P-C4'-P energy: -66.500
tors. eta vs tors. theta energy: -106.962
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: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1290.095106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.095106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.095106 (E_RNA)
where:
Base-Base interactions energy: -869.866
where: short stacking energy: -356.159
Base-Backbone interact. energy: -1.782
local terms energy: -418.447072
where:
bonds (distance) C4'-P energy: -76.386
bonds (distance) P-C4' energy: -103.033
flat angles C4'-P-C4' energy: -98.560
flat angles P-C4'-P energy: -58.674
tors. eta vs tors. theta energy: -81.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1227.219659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.219659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.219659 (E_RNA)
where:
Base-Base interactions energy: -850.157
where: short stacking energy: -388.683
Base-Backbone interact. energy: -0.711
local terms energy: -376.351556
where:
bonds (distance) C4'-P energy: -68.777
bonds (distance) P-C4' energy: -81.152
flat angles C4'-P-C4' energy: -80.853
flat angles P-C4'-P energy: -48.065
tors. eta vs tors. theta energy: -97.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1082.214198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.214198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.214198 (E_RNA)
where:
Base-Base interactions energy: -718.372
where: short stacking energy: -309.024
Base-Backbone interact. energy: 1.789
local terms energy: -365.630962
where:
bonds (distance) C4'-P energy: -81.974
bonds (distance) P-C4' energy: -83.443
flat angles C4'-P-C4' energy: -83.979
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: -72.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -803.636993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.636993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.636993 (E_RNA)
where:
Base-Base interactions energy: -498.028
where: short stacking energy: -232.259
Base-Backbone interact. energy: -1.399
local terms energy: -304.210628
where:
bonds (distance) C4'-P energy: -69.992
bonds (distance) P-C4' energy: -66.345
flat angles C4'-P-C4' energy: -85.140
flat angles P-C4'-P energy: -40.334
tors. eta vs tors. theta energy: -42.399
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: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -727.571522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.571522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.571522 (E_RNA)
where:
Base-Base interactions energy: -455.891
where: short stacking energy: -214.166
Base-Backbone interact. energy: 1.301
local terms energy: -272.981847
where:
bonds (distance) C4'-P energy: -77.483
bonds (distance) P-C4' energy: -61.502
flat angles C4'-P-C4' energy: -74.740
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: -26.207
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: 224
Temperature: 1.350000
Total energy: -608.904526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.904526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.904526 (E_RNA)
where:
Base-Base interactions energy: -352.315
where: short stacking energy: -204.162
Base-Backbone interact. energy: 8.686
local terms energy: -265.275345
where:
bonds (distance) C4'-P energy: -79.569
bonds (distance) P-C4' energy: -80.805
flat angles C4'-P-C4' energy: -55.001
flat angles P-C4'-P energy: -41.549
tors. eta vs tors. theta energy: -8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1586.009060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.009060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.009060 (E_RNA)
where:
Base-Base interactions energy: -1103.757
where: short stacking energy: -474.171
Base-Backbone interact. energy: -1.229
local terms energy: -481.023377
where:
bonds (distance) C4'-P energy: -90.657
bonds (distance) P-C4' energy: -94.677
flat angles C4'-P-C4' energy: -103.876
flat angles P-C4'-P energy: -62.439
tors. eta vs tors. theta energy: -129.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1489.067367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.067367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.067367 (E_RNA)
where:
Base-Base interactions energy: -1022.713
where: short stacking energy: -421.839
Base-Backbone interact. energy: -1.033
local terms energy: -465.321705
where:
bonds (distance) C4'-P energy: -88.309
bonds (distance) P-C4' energy: -89.561
flat angles C4'-P-C4' energy: -95.842
flat angles P-C4'-P energy: -68.144
tors. eta vs tors. theta energy: -123.466
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: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1424.200574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.200574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.200574 (E_RNA)
where:
Base-Base interactions energy: -972.459
where: short stacking energy: -431.675
Base-Backbone interact. energy: 7.762
local terms energy: -459.503873
where:
bonds (distance) C4'-P energy: -92.632
bonds (distance) P-C4' energy: -80.944
flat angles C4'-P-C4' energy: -95.696
flat angles P-C4'-P energy: -72.238
tors. eta vs tors. theta energy: -117.994
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: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1380.907000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.907000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.907000 (E_RNA)
where:
Base-Base interactions energy: -944.121
where: short stacking energy: -405.615
Base-Backbone interact. energy: 1.460
local terms energy: -438.246382
where:
bonds (distance) C4'-P energy: -85.583
bonds (distance) P-C4' energy: -89.238
flat angles C4'-P-C4' energy: -87.413
flat angles P-C4'-P energy: -59.551
tors. eta vs tors. theta energy: -116.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1275.862878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.862878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.862878 (E_RNA)
where:
Base-Base interactions energy: -893.881
where: short stacking energy: -387.096
Base-Backbone interact. energy: -0.312
local terms energy: -381.669984
where:
bonds (distance) C4'-P energy: -74.168
bonds (distance) P-C4' energy: -73.303
flat angles C4'-P-C4' energy: -88.915
flat angles P-C4'-P energy: -59.741
tors. eta vs tors. theta energy: -85.543
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: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1233.896933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.896933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.896933 (E_RNA)
where:
Base-Base interactions energy: -820.562
where: short stacking energy: -353.774
Base-Backbone interact. energy: 0.236
local terms energy: -413.571076
where:
bonds (distance) C4'-P energy: -87.451
bonds (distance) P-C4' energy: -86.335
flat angles C4'-P-C4' energy: -95.466
flat angles P-C4'-P energy: -47.108
tors. eta vs tors. theta energy: -97.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1085.264171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.264171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.264171 (E_RNA)
where:
Base-Base interactions energy: -721.918
where: short stacking energy: -306.830
Base-Backbone interact. energy: -2.077
local terms energy: -361.269464
where:
bonds (distance) C4'-P energy: -80.374
bonds (distance) P-C4' energy: -74.779
flat angles C4'-P-C4' energy: -86.309
flat angles P-C4'-P energy: -52.229
tors. eta vs tors. theta energy: -67.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -829.266200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.266200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.266200 (E_RNA)
where:
Base-Base interactions energy: -520.108
where: short stacking energy: -223.655
Base-Backbone interact. energy: -1.565
local terms energy: -307.593634
where:
bonds (distance) C4'-P energy: -74.198
bonds (distance) P-C4' energy: -82.127
flat angles C4'-P-C4' energy: -76.495
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: -33.302
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: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -692.861972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.861972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.861972 (E_RNA)
where:
Base-Base interactions energy: -398.377
where: short stacking energy: -188.579
Base-Backbone interact. energy: 4.813
local terms energy: -299.297879
where:
bonds (distance) C4'-P energy: -68.279
bonds (distance) P-C4' energy: -80.174
flat angles C4'-P-C4' energy: -77.787
flat angles P-C4'-P energy: -49.557
tors. eta vs tors. theta energy: -23.501
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: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -599.619866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.619866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.619866 (E_RNA)
where:
Base-Base interactions energy: -358.690
where: short stacking energy: -172.226
Base-Backbone interact. energy: 0.245
local terms energy: -241.174302
where:
bonds (distance) C4'-P energy: -75.450
bonds (distance) P-C4' energy: -65.057
flat angles C4'-P-C4' energy: -63.130
flat angles P-C4'-P energy: -31.367
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1586.800788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.800788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.800788 (E_RNA)
where:
Base-Base interactions energy: -1117.145
where: short stacking energy: -478.827
Base-Backbone interact. energy: -0.983
local terms energy: -468.672410
where:
bonds (distance) C4'-P energy: -86.968
bonds (distance) P-C4' energy: -91.598
flat angles C4'-P-C4' energy: -98.554
flat angles P-C4'-P energy: -59.232
tors. eta vs tors. theta energy: -132.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1493.795447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.795447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.795447 (E_RNA)
where:
Base-Base interactions energy: -1043.564
where: short stacking energy: -457.177
Base-Backbone interact. energy: -2.103
local terms energy: -448.128326
where:
bonds (distance) C4'-P energy: -85.247
bonds (distance) P-C4' energy: -91.881
flat angles C4'-P-C4' energy: -89.446
flat angles P-C4'-P energy: -58.164
tors. eta vs tors. theta energy: -123.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1395.619907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.619907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.619907 (E_RNA)
where:
Base-Base interactions energy: -939.106
where: short stacking energy: -425.372
Base-Backbone interact. energy: 1.116
local terms energy: -457.629637
where:
bonds (distance) C4'-P energy: -90.295
bonds (distance) P-C4' energy: -90.537
flat angles C4'-P-C4' energy: -89.846
flat angles P-C4'-P energy: -71.114
tors. eta vs tors. theta energy: -115.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1373.846029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.846029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.846029 (E_RNA)
where:
Base-Base interactions energy: -944.363
where: short stacking energy: -422.793
Base-Backbone interact. energy: -1.796
local terms energy: -427.686644
where:
bonds (distance) C4'-P energy: -79.559
bonds (distance) P-C4' energy: -86.537
flat angles C4'-P-C4' energy: -92.793
flat angles P-C4'-P energy: -53.899
tors. eta vs tors. theta energy: -114.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1301.007002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.007002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.007002 (E_RNA)
where:
Base-Base interactions energy: -893.762
where: short stacking energy: -374.194
Base-Backbone interact. energy: -2.572
local terms energy: -404.673119
where:
bonds (distance) C4'-P energy: -72.119
bonds (distance) P-C4' energy: -82.082
flat angles C4'-P-C4' energy: -90.905
flat angles P-C4'-P energy: -58.563
tors. eta vs tors. theta energy: -101.004
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: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1200.969447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.969447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.969447 (E_RNA)
where:
Base-Base interactions energy: -822.371
where: short stacking energy: -360.803
Base-Backbone interact. energy: -2.139
local terms energy: -376.458574
where:
bonds (distance) C4'-P energy: -78.790
bonds (distance) P-C4' energy: -82.583
flat angles C4'-P-C4' energy: -70.706
flat angles P-C4'-P energy: -58.568
tors. eta vs tors. theta energy: -85.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1038.114829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.114829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.114829 (E_RNA)
where:
Base-Base interactions energy: -697.472
where: short stacking energy: -315.939
Base-Backbone interact. energy: -1.814
local terms energy: -338.828905
where:
bonds (distance) C4'-P energy: -71.145
bonds (distance) P-C4' energy: -75.155
flat angles C4'-P-C4' energy: -74.947
flat angles P-C4'-P energy: -47.094
tors. eta vs tors. theta energy: -70.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -862.526877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.526877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.526877 (E_RNA)
where:
Base-Base interactions energy: -535.392
where: short stacking energy: -243.531
Base-Backbone interact. energy: -1.387
local terms energy: -325.748486
where:
bonds (distance) C4'-P energy: -71.480
bonds (distance) P-C4' energy: -78.506
flat angles C4'-P-C4' energy: -73.860
flat angles P-C4'-P energy: -53.344
tors. eta vs tors. theta energy: -48.559
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: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -713.990027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.990027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.990027 (E_RNA)
where:
Base-Base interactions energy: -420.873
where: short stacking energy: -203.828
Base-Backbone interact. energy: 3.378
local terms energy: -296.495102
where:
bonds (distance) C4'-P energy: -61.128
bonds (distance) P-C4' energy: -85.865
flat angles C4'-P-C4' energy: -86.475
flat angles P-C4'-P energy: -37.129
tors. eta vs tors. theta energy: -25.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -714.439629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.439629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.439629 (E_RNA)
where:
Base-Base interactions energy: -428.300
where: short stacking energy: -212.656
Base-Backbone interact. energy: -1.661
local terms energy: -284.479073
where:
bonds (distance) C4'-P energy: -89.268
bonds (distance) P-C4' energy: -80.753
flat angles C4'-P-C4' energy: -50.966
flat angles P-C4'-P energy: -46.222
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: 1, replica: 10
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1585.698058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.698058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.698058 (E_RNA)
where:
Base-Base interactions energy: -1103.915
where: short stacking energy: -471.184
Base-Backbone interact. energy: -2.851
local terms energy: -478.931468
where:
bonds (distance) C4'-P energy: -89.751
bonds (distance) P-C4' energy: -85.576
flat angles C4'-P-C4' energy: -106.345
flat angles P-C4'-P energy: -63.448
tors. eta vs tors. theta energy: -133.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1527.356743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.356743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.356743 (E_RNA)
where:
Base-Base interactions energy: -1067.835
where: short stacking energy: -446.030
Base-Backbone interact. energy: -3.006
local terms energy: -456.515537
where:
bonds (distance) C4'-P energy: -83.250
bonds (distance) P-C4' energy: -91.380
flat angles C4'-P-C4' energy: -93.949
flat angles P-C4'-P energy: -67.897
tors. eta vs tors. theta energy: -120.040
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: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1375.212191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.212191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.212191 (E_RNA)
where:
Base-Base interactions energy: -936.315
where: short stacking energy: -420.760
Base-Backbone interact. energy: -0.020
local terms energy: -438.876800
where:
bonds (distance) C4'-P energy: -80.770
bonds (distance) P-C4' energy: -84.115
flat angles C4'-P-C4' energy: -96.935
flat angles P-C4'-P energy: -67.148
tors. eta vs tors. theta energy: -109.910
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: 227
Temperature: 1.050000
Total energy: -1351.425460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.425460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.425460 (E_RNA)
where:
Base-Base interactions energy: -896.281
where: short stacking energy: -390.896
Base-Backbone interact. energy: -1.553
local terms energy: -453.591689
where:
bonds (distance) C4'-P energy: -92.465
bonds (distance) P-C4' energy: -87.986
flat angles C4'-P-C4' energy: -90.994
flat angles P-C4'-P energy: -72.784
tors. eta vs tors. theta energy: -109.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1292.475285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.475285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.475285 (E_RNA)
where:
Base-Base interactions energy: -876.858
where: short stacking energy: -373.993
Base-Backbone interact. energy: -1.655
local terms energy: -413.961687
where:
bonds (distance) C4'-P energy: -71.994
bonds (distance) P-C4' energy: -89.383
flat angles C4'-P-C4' energy: -88.978
flat angles P-C4'-P energy: -61.703
tors. eta vs tors. theta energy: -101.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1200.073428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.073428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.073428 (E_RNA)
where:
Base-Base interactions energy: -809.373
where: short stacking energy: -345.252
Base-Backbone interact. energy: -2.002
local terms energy: -388.698704
where:
bonds (distance) C4'-P energy: -76.786
bonds (distance) P-C4' energy: -83.265
flat angles C4'-P-C4' energy: -87.798
flat angles P-C4'-P energy: -58.524
tors. eta vs tors. theta energy: -82.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1047.039054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.039054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.039054 (E_RNA)
where:
Base-Base interactions energy: -695.435
where: short stacking energy: -303.772
Base-Backbone interact. energy: -1.900
local terms energy: -349.703401
where:
bonds (distance) C4'-P energy: -81.724
bonds (distance) P-C4' energy: -71.048
flat angles C4'-P-C4' energy: -81.872
flat angles P-C4'-P energy: -45.114
tors. eta vs tors. theta energy: -69.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -886.911435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.911435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.911435 (E_RNA)
where:
Base-Base interactions energy: -558.652
where: short stacking energy: -256.707
Base-Backbone interact. energy: -2.087
local terms energy: -326.172319
where:
bonds (distance) C4'-P energy: -78.639
bonds (distance) P-C4' energy: -78.588
flat angles C4'-P-C4' energy: -64.338
flat angles P-C4'-P energy: -55.903
tors. eta vs tors. theta energy: -48.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -870.836078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.836078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.836078 (E_RNA)
where:
Base-Base interactions energy: -571.836
where: short stacking energy: -257.903
Base-Backbone interact. energy: -2.040
local terms energy: -296.960057
where:
bonds (distance) C4'-P energy: -73.866
bonds (distance) P-C4' energy: -66.334
flat angles C4'-P-C4' energy: -78.344
flat angles P-C4'-P energy: -38.469
tors. eta vs tors. theta energy: -39.947
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: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -669.968420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.968420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.968420 (E_RNA)
where:
Base-Base interactions energy: -383.575
where: short stacking energy: -186.117
Base-Backbone interact. energy: 0.527
local terms energy: -286.920496
where:
bonds (distance) C4'-P energy: -79.839
bonds (distance) P-C4' energy: -87.557
flat angles C4'-P-C4' energy: -55.911
flat angles P-C4'-P energy: -45.996
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: 1, replica: 10
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1577.075393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.075393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.075393 (E_RNA)
where:
Base-Base interactions energy: -1085.566
where: short stacking energy: -469.599
Base-Backbone interact. energy: -2.793
local terms energy: -488.716530
where:
bonds (distance) C4'-P energy: -91.585
bonds (distance) P-C4' energy: -87.019
flat angles C4'-P-C4' energy: -111.482
flat angles P-C4'-P energy: -66.148
tors. eta vs tors. theta energy: -132.483
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: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1509.522318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.522318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.522318 (E_RNA)
where:
Base-Base interactions energy: -1062.996
where: short stacking energy: -452.054
Base-Backbone interact. energy: -1.061
local terms energy: -445.465611
where:
bonds (distance) C4'-P energy: -85.595
bonds (distance) P-C4' energy: -93.566
flat angles C4'-P-C4' energy: -83.599
flat angles P-C4'-P energy: -62.256
tors. eta vs tors. theta energy: -120.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1423.089154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.089154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.089154 (E_RNA)
where:
Base-Base interactions energy: -954.075
where: short stacking energy: -419.561
Base-Backbone interact. energy: -2.208
local terms energy: -466.805730
where:
bonds (distance) C4'-P energy: -80.230
bonds (distance) P-C4' energy: -95.309
flat angles C4'-P-C4' energy: -97.457
flat angles P-C4'-P energy: -76.648
tors. eta vs tors. theta energy: -117.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1367.051922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.051922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.051922 (E_RNA)
where:
Base-Base interactions energy: -942.728
where: short stacking energy: -405.959
Base-Backbone interact. energy: -0.963
local terms energy: -423.360679
where:
bonds (distance) C4'-P energy: -70.093
bonds (distance) P-C4' energy: -87.227
flat angles C4'-P-C4' energy: -95.562
flat angles P-C4'-P energy: -64.014
tors. eta vs tors. theta energy: -106.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1316.798326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.798326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.798326 (E_RNA)
where:
Base-Base interactions energy: -902.526
where: short stacking energy: -392.349
Base-Backbone interact. energy: -2.443
local terms energy: -411.829410
where:
bonds (distance) C4'-P energy: -81.109
bonds (distance) P-C4' energy: -94.255
flat angles C4'-P-C4' energy: -86.281
flat angles P-C4'-P energy: -55.991
tors. eta vs tors. theta energy: -94.193
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: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1198.250557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.250557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.250557 (E_RNA)
where:
Base-Base interactions energy: -803.150
where: short stacking energy: -332.053
Base-Backbone interact. energy: -0.570
local terms energy: -394.530765
where:
bonds (distance) C4'-P energy: -77.253
bonds (distance) P-C4' energy: -83.103
flat angles C4'-P-C4' energy: -87.632
flat angles P-C4'-P energy: -63.031
tors. eta vs tors. theta energy: -83.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1020.001203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.001203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.001203 (E_RNA)
where:
Base-Base interactions energy: -664.263
where: short stacking energy: -291.260
Base-Backbone interact. energy: -1.791
local terms energy: -353.947255
where:
bonds (distance) C4'-P energy: -84.471
bonds (distance) P-C4' energy: -90.068
flat angles C4'-P-C4' energy: -57.054
flat angles P-C4'-P energy: -56.699
tors. eta vs tors. theta energy: -65.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -883.164779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.164779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.164779 (E_RNA)
where:
Base-Base interactions energy: -567.120
where: short stacking energy: -262.537
Base-Backbone interact. energy: -1.037
local terms energy: -315.007749
where:
bonds (distance) C4'-P energy: -76.913
bonds (distance) P-C4' energy: -73.760
flat angles C4'-P-C4' energy: -76.335
flat angles P-C4'-P energy: -45.005
tors. eta vs tors. theta energy: -42.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -852.528091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.528091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.528091 (E_RNA)
where:
Base-Base interactions energy: -531.004
where: short stacking energy: -248.178
Base-Backbone interact. energy: 1.565
local terms energy: -323.088989
where:
bonds (distance) C4'-P energy: -70.192
bonds (distance) P-C4' energy: -83.154
flat angles C4'-P-C4' energy: -75.244
flat angles P-C4'-P energy: -49.524
tors. eta vs tors. theta energy: -44.975
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: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -684.268681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.268681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.268681 (E_RNA)
where:
Base-Base interactions energy: -402.382
where: short stacking energy: -194.860
Base-Backbone interact. energy: 1.706
local terms energy: -283.593205
where:
bonds (distance) C4'-P energy: -77.157
bonds (distance) P-C4' energy: -57.296
flat angles C4'-P-C4' energy: -75.455
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -28.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1591.548279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.548279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.548279 (E_RNA)
where:
Base-Base interactions energy: -1108.946
where: short stacking energy: -470.528
Base-Backbone interact. energy: -3.045
local terms energy: -479.557294
where:
bonds (distance) C4'-P energy: -85.953
bonds (distance) P-C4' energy: -99.946
flat angles C4'-P-C4' energy: -109.130
flat angles P-C4'-P energy: -60.381
tors. eta vs tors. theta energy: -124.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1519.770987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.770987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.770987 (E_RNA)
where:
Base-Base interactions energy: -1045.184
where: short stacking energy: -468.254
Base-Backbone interact. energy: 1.089
local terms energy: -475.675759
where:
bonds (distance) C4'-P energy: -99.235
bonds (distance) P-C4' energy: -83.156
flat angles C4'-P-C4' energy: -102.154
flat angles P-C4'-P energy: -69.382
tors. eta vs tors. theta energy: -121.748
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: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1366.594772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.594772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.594772 (E_RNA)
where:
Base-Base interactions energy: -929.791
where: short stacking energy: -418.838
Base-Backbone interact. energy: -1.469
local terms energy: -435.335338
where:
bonds (distance) C4'-P energy: -89.096
bonds (distance) P-C4' energy: -83.436
flat angles C4'-P-C4' energy: -88.261
flat angles P-C4'-P energy: -63.897
tors. eta vs tors. theta energy: -110.646
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: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1399.046053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.046053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.046053 (E_RNA)
where:
Base-Base interactions energy: -937.771
where: short stacking energy: -434.107
Base-Backbone interact. energy: -2.195
local terms energy: -459.079613
where:
bonds (distance) C4'-P energy: -85.971
bonds (distance) P-C4' energy: -92.201
flat angles C4'-P-C4' energy: -100.630
flat angles P-C4'-P energy: -61.746
tors. eta vs tors. theta energy: -118.531
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: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1324.734154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.734154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.734154 (E_RNA)
where:
Base-Base interactions energy: -899.268
where: short stacking energy: -387.375
Base-Backbone interact. energy: 5.144
local terms energy: -430.609349
where:
bonds (distance) C4'-P energy: -96.425
bonds (distance) P-C4' energy: -88.045
flat angles C4'-P-C4' energy: -82.571
flat angles P-C4'-P energy: -54.060
tors. eta vs tors. theta energy: -109.508
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: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1173.278884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.278884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.278884 (E_RNA)
where:
Base-Base interactions energy: -812.709
where: short stacking energy: -338.732
Base-Backbone interact. energy: -0.588
local terms energy: -359.982085
where:
bonds (distance) C4'-P energy: -73.605
bonds (distance) P-C4' energy: -79.690
flat angles C4'-P-C4' energy: -74.631
flat angles P-C4'-P energy: -49.259
tors. eta vs tors. theta energy: -82.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1031.387370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.387370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.387370 (E_RNA)
where:
Base-Base interactions energy: -678.266
where: short stacking energy: -310.918
Base-Backbone interact. energy: -2.014
local terms energy: -351.107536
where:
bonds (distance) C4'-P energy: -65.251
bonds (distance) P-C4' energy: -82.451
flat angles C4'-P-C4' energy: -79.924
flat angles P-C4'-P energy: -53.942
tors. eta vs tors. theta energy: -69.539
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: 229
Temperature: 1.250000
Total energy: -878.387762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.387762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.387762 (E_RNA)
where:
Base-Base interactions energy: -556.971
where: short stacking energy: -287.845
Base-Backbone interact. energy: 0.171
local terms energy: -321.587687
where:
bonds (distance) C4'-P energy: -80.242
bonds (distance) P-C4' energy: -65.265
flat angles C4'-P-C4' energy: -74.421
flat angles P-C4'-P energy: -35.296
tors. eta vs tors. theta energy: -66.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -807.397525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.397525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.397525 (E_RNA)
where:
Base-Base interactions energy: -505.069
where: short stacking energy: -235.829
Base-Backbone interact. energy: -0.764
local terms energy: -301.564187
where:
bonds (distance) C4'-P energy: -58.881
bonds (distance) P-C4' energy: -87.196
flat angles C4'-P-C4' energy: -70.460
flat angles P-C4'-P energy: -49.621
tors. eta vs tors. theta energy: -35.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -712.329643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.329643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.329643 (E_RNA)
where:
Base-Base interactions energy: -433.132
where: short stacking energy: -188.537
Base-Backbone interact. energy: -1.649
local terms energy: -277.548888
where:
bonds (distance) C4'-P energy: -69.200
bonds (distance) P-C4' energy: -80.105
flat angles C4'-P-C4' energy: -75.693
flat angles P-C4'-P energy: -32.936
tors. eta vs tors. theta energy: -19.614
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: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1568.803466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.803466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.803466 (E_RNA)
where:
Base-Base interactions energy: -1080.698
where: short stacking energy: -472.277
Base-Backbone interact. energy: -6.203
local terms energy: -481.902907
where:
bonds (distance) C4'-P energy: -92.355
bonds (distance) P-C4' energy: -95.073
flat angles C4'-P-C4' energy: -102.447
flat angles P-C4'-P energy: -60.168
tors. eta vs tors. theta energy: -131.860
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: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1552.011550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.011550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.011550 (E_RNA)
where:
Base-Base interactions energy: -1096.816
where: short stacking energy: -464.262
Base-Backbone interact. energy: 0.802
local terms energy: -455.997957
where:
bonds (distance) C4'-P energy: -82.739
bonds (distance) P-C4' energy: -84.661
flat angles C4'-P-C4' energy: -101.910
flat angles P-C4'-P energy: -63.761
tors. eta vs tors. theta energy: -122.928
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: 230
Temperature: 1.000000
Total energy: -1401.298144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.298144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.298144 (E_RNA)
where:
Base-Base interactions energy: -928.056
where: short stacking energy: -423.410
Base-Backbone interact. energy: -2.623
local terms energy: -470.618296
where:
bonds (distance) C4'-P energy: -87.309
bonds (distance) P-C4' energy: -88.392
flat angles C4'-P-C4' energy: -102.928
flat angles P-C4'-P energy: -77.250
tors. eta vs tors. theta energy: -114.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1333.414150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.414150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.414150 (E_RNA)
where:
Base-Base interactions energy: -890.010
where: short stacking energy: -393.712
Base-Backbone interact. energy: -2.258
local terms energy: -441.145482
where:
bonds (distance) C4'-P energy: -83.154
bonds (distance) P-C4' energy: -92.647
flat angles C4'-P-C4' energy: -100.937
flat angles P-C4'-P energy: -60.605
tors. eta vs tors. theta energy: -103.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1300.039239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.039239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.039239 (E_RNA)
where:
Base-Base interactions energy: -892.650
where: short stacking energy: -375.784
Base-Backbone interact. energy: -0.743
local terms energy: -406.645977
where:
bonds (distance) C4'-P energy: -87.314
bonds (distance) P-C4' energy: -79.967
flat angles C4'-P-C4' energy: -87.284
flat angles P-C4'-P energy: -56.833
tors. eta vs tors. theta energy: -95.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1209.241170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.241170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.241170 (E_RNA)
where:
Base-Base interactions energy: -814.292
where: short stacking energy: -338.572
Base-Backbone interact. energy: -1.384
local terms energy: -393.566001
where:
bonds (distance) C4'-P energy: -81.832
bonds (distance) P-C4' energy: -80.223
flat angles C4'-P-C4' energy: -81.140
flat angles P-C4'-P energy: -54.746
tors. eta vs tors. theta energy: -95.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1064.906716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.906716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.906716 (E_RNA)
where:
Base-Base interactions energy: -682.381
where: short stacking energy: -321.142
Base-Backbone interact. energy: 1.690
local terms energy: -384.215376
where:
bonds (distance) C4'-P energy: -76.352
bonds (distance) P-C4' energy: -87.981
flat angles C4'-P-C4' energy: -83.595
flat angles P-C4'-P energy: -59.281
tors. eta vs tors. theta energy: -77.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -862.555179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.555179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.555179 (E_RNA)
where:
Base-Base interactions energy: -553.726
where: short stacking energy: -275.734
Base-Backbone interact. energy: 1.331
local terms energy: -310.160133
where:
bonds (distance) C4'-P energy: -78.588
bonds (distance) P-C4' energy: -61.299
flat angles C4'-P-C4' energy: -79.106
flat angles P-C4'-P energy: -50.196
tors. eta vs tors. theta energy: -40.971
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: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -768.888854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.888854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.888854 (E_RNA)
where:
Base-Base interactions energy: -463.297
where: short stacking energy: -232.446
Base-Backbone interact. energy: 1.594
local terms energy: -307.185944
where:
bonds (distance) C4'-P energy: -70.068
bonds (distance) P-C4' energy: -84.912
flat angles C4'-P-C4' energy: -75.800
flat angles P-C4'-P energy: -40.436
tors. eta vs tors. theta energy: -35.970
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: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -773.821754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.821754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.821754 (E_RNA)
where:
Base-Base interactions energy: -470.722
where: short stacking energy: -226.580
Base-Backbone interact. energy: -1.360
local terms energy: -301.739791
where:
bonds (distance) C4'-P energy: -77.249
bonds (distance) P-C4' energy: -78.817
flat angles C4'-P-C4' energy: -64.746
flat angles P-C4'-P energy: -51.690
tors. eta vs tors. theta energy: -29.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1593.601799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.601799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.601799 (E_RNA)
where:
Base-Base interactions energy: -1110.826
where: short stacking energy: -464.918
Base-Backbone interact. energy: -2.969
local terms energy: -479.806862
where:
bonds (distance) C4'-P energy: -93.238
bonds (distance) P-C4' energy: -95.267
flat angles C4'-P-C4' energy: -102.453
flat angles P-C4'-P energy: -61.409
tors. eta vs tors. theta energy: -127.439
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: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1549.178813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.178813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.178813 (E_RNA)
where:
Base-Base interactions energy: -1071.592
where: short stacking energy: -457.535
Base-Backbone interact. energy: 0.827
local terms energy: -478.413947
where:
bonds (distance) C4'-P energy: -99.082
bonds (distance) P-C4' energy: -97.045
flat angles C4'-P-C4' energy: -97.804
flat angles P-C4'-P energy: -63.395
tors. eta vs tors. theta energy: -121.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1432.660518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.660518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.660518 (E_RNA)
where:
Base-Base interactions energy: -998.021
where: short stacking energy: -430.046
Base-Backbone interact. energy: 1.116
local terms energy: -435.755000
where:
bonds (distance) C4'-P energy: -83.960
bonds (distance) P-C4' energy: -74.319
flat angles C4'-P-C4' energy: -97.887
flat angles P-C4'-P energy: -74.307
tors. eta vs tors. theta energy: -105.282
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: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1345.330799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.330799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.330799 (E_RNA)
where:
Base-Base interactions energy: -927.444
where: short stacking energy: -412.076
Base-Backbone interact. energy: 1.543
local terms energy: -419.430378
where:
bonds (distance) C4'-P energy: -84.496
bonds (distance) P-C4' energy: -83.395
flat angles C4'-P-C4' energy: -87.581
flat angles P-C4'-P energy: -59.896
tors. eta vs tors. theta energy: -104.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1295.713013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.713013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.713013 (E_RNA)
where:
Base-Base interactions energy: -882.576
where: short stacking energy: -366.858
Base-Backbone interact. energy: -1.003
local terms energy: -412.133884
where:
bonds (distance) C4'-P energy: -85.654
bonds (distance) P-C4' energy: -82.971
flat angles C4'-P-C4' energy: -90.423
flat angles P-C4'-P energy: -64.189
tors. eta vs tors. theta energy: -88.898
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: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1208.133205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.133205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.133205 (E_RNA)
where:
Base-Base interactions energy: -812.602
where: short stacking energy: -353.676
Base-Backbone interact. energy: -2.680
local terms energy: -392.850972
where:
bonds (distance) C4'-P energy: -84.178
bonds (distance) P-C4' energy: -96.103
flat angles C4'-P-C4' energy: -77.724
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -82.090
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: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1042.108970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.108970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.108970 (E_RNA)
where:
Base-Base interactions energy: -713.639
where: short stacking energy: -310.513
Base-Backbone interact. energy: -2.432
local terms energy: -326.037894
where:
bonds (distance) C4'-P energy: -75.927
bonds (distance) P-C4' energy: -73.727
flat angles C4'-P-C4' energy: -86.944
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -71.252
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: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -809.561992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.561992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.561992 (E_RNA)
where:
Base-Base interactions energy: -500.503
where: short stacking energy: -245.451
Base-Backbone interact. energy: -2.608
local terms energy: -306.450289
where:
bonds (distance) C4'-P energy: -71.750
bonds (distance) P-C4' energy: -66.529
flat angles C4'-P-C4' energy: -78.250
flat angles P-C4'-P energy: -47.143
tors. eta vs tors. theta energy: -42.778
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: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -863.249913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.249913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.249913 (E_RNA)
where:
Base-Base interactions energy: -512.857
where: short stacking energy: -227.165
Base-Backbone interact. energy: -2.763
local terms energy: -347.629825
where:
bonds (distance) C4'-P energy: -85.263
bonds (distance) P-C4' energy: -84.849
flat angles C4'-P-C4' energy: -71.758
flat angles P-C4'-P energy: -65.214
tors. eta vs tors. theta energy: -40.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -736.532589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.532589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.532589 (E_RNA)
where:
Base-Base interactions energy: -473.269
where: short stacking energy: -219.411
Base-Backbone interact. energy: -0.196
local terms energy: -263.067906
where:
bonds (distance) C4'-P energy: -62.901
bonds (distance) P-C4' energy: -69.708
flat angles C4'-P-C4' energy: -68.119
flat angles P-C4'-P energy: -33.660
tors. eta vs tors. theta energy: -28.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1558.401075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.401075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.401075 (E_RNA)
where:
Base-Base interactions energy: -1123.437
where: short stacking energy: -463.619
Base-Backbone interact. energy: -0.471
local terms energy: -434.492368
where:
bonds (distance) C4'-P energy: -86.102
bonds (distance) P-C4' energy: -80.817
flat angles C4'-P-C4' energy: -90.697
flat angles P-C4'-P energy: -57.707
tors. eta vs tors. theta energy: -119.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1565.262543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.262543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.262543 (E_RNA)
where:
Base-Base interactions energy: -1068.635
where: short stacking energy: -474.143
Base-Backbone interact. energy: -4.910
local terms energy: -491.717410
where:
bonds (distance) C4'-P energy: -101.569
bonds (distance) P-C4' energy: -89.397
flat angles C4'-P-C4' energy: -101.057
flat angles P-C4'-P energy: -67.609
tors. eta vs tors. theta energy: -132.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1467.783683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.783683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.783683 (E_RNA)
where:
Base-Base interactions energy: -995.738
where: short stacking energy: -456.012
Base-Backbone interact. energy: -3.517
local terms energy: -468.528910
where:
bonds (distance) C4'-P energy: -83.897
bonds (distance) P-C4' energy: -82.588
flat angles C4'-P-C4' energy: -106.120
flat angles P-C4'-P energy: -68.555
tors. eta vs tors. theta energy: -127.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1348.125870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.125870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.125870 (E_RNA)
where:
Base-Base interactions energy: -899.475
where: short stacking energy: -397.505
Base-Backbone interact. energy: -2.081
local terms energy: -446.569545
where:
bonds (distance) C4'-P energy: -89.682
bonds (distance) P-C4' energy: -88.949
flat angles C4'-P-C4' energy: -97.641
flat angles P-C4'-P energy: -55.007
tors. eta vs tors. theta energy: -115.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1291.988837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.988837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.988837 (E_RNA)
where:
Base-Base interactions energy: -864.640
where: short stacking energy: -362.445
Base-Backbone interact. energy: -1.998
local terms energy: -425.350781
where:
bonds (distance) C4'-P energy: -89.268
bonds (distance) P-C4' energy: -93.337
flat angles C4'-P-C4' energy: -89.264
flat angles P-C4'-P energy: -54.969
tors. eta vs tors. theta energy: -98.513
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: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1201.857511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.857511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.857511 (E_RNA)
where:
Base-Base interactions energy: -801.449
where: short stacking energy: -342.408
Base-Backbone interact. energy: 0.031
local terms energy: -400.438795
where:
bonds (distance) C4'-P energy: -93.341
bonds (distance) P-C4' energy: -83.848
flat angles C4'-P-C4' energy: -87.640
flat angles P-C4'-P energy: -48.105
tors. eta vs tors. theta energy: -87.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1083.726717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.726717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.726717 (E_RNA)
where:
Base-Base interactions energy: -728.011
where: short stacking energy: -316.478
Base-Backbone interact. energy: -1.945
local terms energy: -353.769947
where:
bonds (distance) C4'-P energy: -73.554
bonds (distance) P-C4' energy: -79.207
flat angles C4'-P-C4' energy: -82.999
flat angles P-C4'-P energy: -49.392
tors. eta vs tors. theta energy: -68.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -794.932511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.932511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.932511 (E_RNA)
where:
Base-Base interactions energy: -467.734
where: short stacking energy: -247.288
Base-Backbone interact. energy: -1.325
local terms energy: -325.873443
where:
bonds (distance) C4'-P energy: -71.973
bonds (distance) P-C4' energy: -76.378
flat angles C4'-P-C4' energy: -76.444
flat angles P-C4'-P energy: -60.033
tors. eta vs tors. theta energy: -41.046
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: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -832.604663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.604663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.604663 (E_RNA)
where:
Base-Base interactions energy: -521.834
where: short stacking energy: -242.145
Base-Backbone interact. energy: 0.425
local terms energy: -311.195687
where:
bonds (distance) C4'-P energy: -70.319
bonds (distance) P-C4' energy: -75.719
flat angles C4'-P-C4' energy: -78.750
flat angles P-C4'-P energy: -51.688
tors. eta vs tors. theta energy: -34.720
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: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -766.724583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.724583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.724583 (E_RNA)
where:
Base-Base interactions energy: -456.208
where: short stacking energy: -201.137
Base-Backbone interact. energy: -0.519
local terms energy: -309.997913
where:
bonds (distance) C4'-P energy: -78.756
bonds (distance) P-C4' energy: -72.963
flat angles C4'-P-C4' energy: -74.986
flat angles P-C4'-P energy: -44.761
tors. eta vs tors. theta energy: -38.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1546.009943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.009943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.009943 (E_RNA)
where:
Base-Base interactions energy: -1081.390
where: short stacking energy: -439.519
Base-Backbone interact. energy: -2.130
local terms energy: -462.490054
where:
bonds (distance) C4'-P energy: -93.966
bonds (distance) P-C4' energy: -93.769
flat angles C4'-P-C4' energy: -94.449
flat angles P-C4'-P energy: -66.025
tors. eta vs tors. theta energy: -114.280
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: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1537.466255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.466255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.466255 (E_RNA)
where:
Base-Base interactions energy: -1073.207
where: short stacking energy: -447.124
Base-Backbone interact. energy: -4.221
local terms energy: -460.038139
where:
bonds (distance) C4'-P energy: -86.309
bonds (distance) P-C4' energy: -91.067
flat angles C4'-P-C4' energy: -89.725
flat angles P-C4'-P energy: -62.365
tors. eta vs tors. theta energy: -130.572
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: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1431.532824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.532824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.532824 (E_RNA)
where:
Base-Base interactions energy: -974.210
where: short stacking energy: -409.563
Base-Backbone interact. energy: -0.087
local terms energy: -457.235866
where:
bonds (distance) C4'-P energy: -91.296
bonds (distance) P-C4' energy: -98.396
flat angles C4'-P-C4' energy: -97.616
flat angles P-C4'-P energy: -56.265
tors. eta vs tors. theta energy: -113.664
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: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1342.671406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.671406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.671406 (E_RNA)
where:
Base-Base interactions energy: -900.136
where: short stacking energy: -396.423
Base-Backbone interact. energy: 1.439
local terms energy: -443.974582
where:
bonds (distance) C4'-P energy: -97.704
bonds (distance) P-C4' energy: -79.140
flat angles C4'-P-C4' energy: -96.125
flat angles P-C4'-P energy: -63.946
tors. eta vs tors. theta energy: -107.059
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: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1327.799122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.799122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.799122 (E_RNA)
where:
Base-Base interactions energy: -899.917
where: short stacking energy: -386.472
Base-Backbone interact. energy: -0.922
local terms energy: -426.959598
where:
bonds (distance) C4'-P energy: -87.262
bonds (distance) P-C4' energy: -81.229
flat angles C4'-P-C4' energy: -89.502
flat angles P-C4'-P energy: -66.507
tors. eta vs tors. theta energy: -102.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1216.784892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.784892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.784892 (E_RNA)
where:
Base-Base interactions energy: -828.098
where: short stacking energy: -367.576
Base-Backbone interact. energy: -2.344
local terms energy: -386.342996
where:
bonds (distance) C4'-P energy: -72.242
bonds (distance) P-C4' energy: -67.489
flat angles C4'-P-C4' energy: -92.757
flat angles P-C4'-P energy: -52.192
tors. eta vs tors. theta energy: -101.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1057.563179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.563179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.563179 (E_RNA)
where:
Base-Base interactions energy: -719.875
where: short stacking energy: -322.237
Base-Backbone interact. energy: -0.842
local terms energy: -336.846150
where:
bonds (distance) C4'-P energy: -66.007
bonds (distance) P-C4' energy: -83.256
flat angles C4'-P-C4' energy: -81.638
flat angles P-C4'-P energy: -45.491
tors. eta vs tors. theta energy: -60.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -884.890086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.890086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.890086 (E_RNA)
where:
Base-Base interactions energy: -576.276
where: short stacking energy: -272.036
Base-Backbone interact. energy: -0.824
local terms energy: -307.789838
where:
bonds (distance) C4'-P energy: -71.937
bonds (distance) P-C4' energy: -69.216
flat angles C4'-P-C4' energy: -70.890
flat angles P-C4'-P energy: -54.204
tors. eta vs tors. theta energy: -41.542
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: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -712.717719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.717719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.717719 (E_RNA)
where:
Base-Base interactions energy: -404.871
where: short stacking energy: -198.591
Base-Backbone interact. energy: -1.045
local terms energy: -306.801496
where:
bonds (distance) C4'-P energy: -85.371
bonds (distance) P-C4' energy: -82.500
flat angles C4'-P-C4' energy: -74.456
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: -24.448
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: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -769.247367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.247367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.247367 (E_RNA)
where:
Base-Base interactions energy: -475.442
where: short stacking energy: -192.137
Base-Backbone interact. energy: -0.050
local terms energy: -293.756139
where:
bonds (distance) C4'-P energy: -69.493
bonds (distance) P-C4' energy: -61.621
flat angles C4'-P-C4' energy: -66.470
flat angles P-C4'-P energy: -53.177
tors. eta vs tors. theta energy: -42.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1589.192841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.192841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.192841 (E_RNA)
where:
Base-Base interactions energy: -1103.483
where: short stacking energy: -472.127
Base-Backbone interact. energy: -3.729
local terms energy: -481.980599
where:
bonds (distance) C4'-P energy: -95.891
bonds (distance) P-C4' energy: -92.039
flat angles C4'-P-C4' energy: -96.194
flat angles P-C4'-P energy: -68.773
tors. eta vs tors. theta energy: -129.084
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: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1531.172491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.172491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.172491 (E_RNA)
where:
Base-Base interactions energy: -1065.379
where: short stacking energy: -420.920
Base-Backbone interact. energy: 0.585
local terms energy: -466.378400
where:
bonds (distance) C4'-P energy: -98.062
bonds (distance) P-C4' energy: -90.511
flat angles C4'-P-C4' energy: -100.093
flat angles P-C4'-P energy: -59.935
tors. eta vs tors. theta energy: -117.778
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: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1451.301513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.301513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.301513 (E_RNA)
where:
Base-Base interactions energy: -976.943
where: short stacking energy: -432.977
Base-Backbone interact. energy: 0.806
local terms energy: -475.164853
where:
bonds (distance) C4'-P energy: -86.698
bonds (distance) P-C4' energy: -88.307
flat angles C4'-P-C4' energy: -102.578
flat angles P-C4'-P energy: -73.087
tors. eta vs tors. theta energy: -124.495
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1315.761671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.761671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.761671 (E_RNA)
where:
Base-Base interactions energy: -912.676
where: short stacking energy: -398.943
Base-Backbone interact. energy: -1.603
local terms energy: -401.482464
where:
bonds (distance) C4'-P energy: -73.038
bonds (distance) P-C4' energy: -93.193
flat angles C4'-P-C4' energy: -88.701
flat angles P-C4'-P energy: -38.018
tors. eta vs tors. theta energy: -108.531
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: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1304.465125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.465125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.465125 (E_RNA)
where:
Base-Base interactions energy: -881.489
where: short stacking energy: -398.129
Base-Backbone interact. energy: 1.119
local terms energy: -424.095452
where:
bonds (distance) C4'-P energy: -87.513
bonds (distance) P-C4' energy: -81.320
flat angles C4'-P-C4' energy: -90.512
flat angles P-C4'-P energy: -55.874
tors. eta vs tors. theta energy: -108.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1206.273586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.273586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.273586 (E_RNA)
where:
Base-Base interactions energy: -814.625
where: short stacking energy: -367.163
Base-Backbone interact. energy: 3.563
local terms energy: -395.212145
where:
bonds (distance) C4'-P energy: -58.483
bonds (distance) P-C4' energy: -78.618
flat angles C4'-P-C4' energy: -95.604
flat angles P-C4'-P energy: -65.230
tors. eta vs tors. theta energy: -97.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1072.796128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.796128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.796128 (E_RNA)
where:
Base-Base interactions energy: -712.726
where: short stacking energy: -306.239
Base-Backbone interact. energy: -1.274
local terms energy: -358.796572
where:
bonds (distance) C4'-P energy: -78.207
bonds (distance) P-C4' energy: -73.233
flat angles C4'-P-C4' energy: -91.919
flat angles P-C4'-P energy: -47.799
tors. eta vs tors. theta energy: -67.638
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: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -847.531336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.531336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.531336 (E_RNA)
where:
Base-Base interactions energy: -526.022
where: short stacking energy: -260.562
Base-Backbone interact. energy: 0.161
local terms energy: -321.669522
where:
bonds (distance) C4'-P energy: -74.109
bonds (distance) P-C4' energy: -72.840
flat angles C4'-P-C4' energy: -72.176
flat angles P-C4'-P energy: -37.428
tors. eta vs tors. theta energy: -65.116
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: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -756.400324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.400324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.400324 (E_RNA)
where:
Base-Base interactions energy: -455.421
where: short stacking energy: -228.293
Base-Backbone interact. energy: -0.103
local terms energy: -300.876158
where:
bonds (distance) C4'-P energy: -85.367
bonds (distance) P-C4' energy: -69.525
flat angles C4'-P-C4' energy: -70.328
flat angles P-C4'-P energy: -44.758
tors. eta vs tors. theta energy: -30.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -683.664047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.664047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.664047 (E_RNA)
where:
Base-Base interactions energy: -410.270
where: short stacking energy: -188.466
Base-Backbone interact. energy: -1.181
local terms energy: -272.212819
where:
bonds (distance) C4'-P energy: -73.992
bonds (distance) P-C4' energy: -78.110
flat angles C4'-P-C4' energy: -62.279
flat angles P-C4'-P energy: -41.608
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1594.266029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.266029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.266029 (E_RNA)
where:
Base-Base interactions energy: -1123.465
where: short stacking energy: -482.792
Base-Backbone interact. energy: -2.881
local terms energy: -467.920386
where:
bonds (distance) C4'-P energy: -95.057
bonds (distance) P-C4' energy: -81.116
flat angles C4'-P-C4' energy: -93.168
flat angles P-C4'-P energy: -62.029
tors. eta vs tors. theta energy: -136.549
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: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1518.482301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.482301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.482301 (E_RNA)
where:
Base-Base interactions energy: -1055.603
where: short stacking energy: -453.923
Base-Backbone interact. energy: -1.473
local terms energy: -461.407133
where:
bonds (distance) C4'-P energy: -81.795
bonds (distance) P-C4' energy: -87.419
flat angles C4'-P-C4' energy: -101.527
flat angles P-C4'-P energy: -68.947
tors. eta vs tors. theta energy: -121.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1459.747702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.747702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.747702 (E_RNA)
where:
Base-Base interactions energy: -1012.804
where: short stacking energy: -431.134
Base-Backbone interact. energy: -4.144
local terms energy: -442.799852
where:
bonds (distance) C4'-P energy: -78.817
bonds (distance) P-C4' energy: -79.901
flat angles C4'-P-C4' energy: -91.282
flat angles P-C4'-P energy: -64.692
tors. eta vs tors. theta energy: -128.108
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: 235
Temperature: 1.050000
Total energy: -1343.433667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.433667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.433667 (E_RNA)
where:
Base-Base interactions energy: -897.608
where: short stacking energy: -378.333
Base-Backbone interact. energy: 6.647
local terms energy: -452.472832
where:
bonds (distance) C4'-P energy: -89.866
bonds (distance) P-C4' energy: -91.455
flat angles C4'-P-C4' energy: -95.970
flat angles P-C4'-P energy: -63.507
tors. eta vs tors. theta energy: -111.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1252.805382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.805382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.805382 (E_RNA)
where:
Base-Base interactions energy: -836.235
where: short stacking energy: -371.506
Base-Backbone interact. energy: -1.813
local terms energy: -414.757421
where:
bonds (distance) C4'-P energy: -84.611
bonds (distance) P-C4' energy: -70.807
flat angles C4'-P-C4' energy: -102.158
flat angles P-C4'-P energy: -59.272
tors. eta vs tors. theta energy: -97.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1203.571204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.571204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.571204 (E_RNA)
where:
Base-Base interactions energy: -784.289
where: short stacking energy: -330.304
Base-Backbone interact. energy: 0.072
local terms energy: -419.354998
where:
bonds (distance) C4'-P energy: -89.958
bonds (distance) P-C4' energy: -83.029
flat angles C4'-P-C4' energy: -92.565
flat angles P-C4'-P energy: -58.787
tors. eta vs tors. theta energy: -95.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1071.643269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.643269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.643269 (E_RNA)
where:
Base-Base interactions energy: -711.428
where: short stacking energy: -290.413
Base-Backbone interact. energy: -1.256
local terms energy: -358.959436
where:
bonds (distance) C4'-P energy: -86.706
bonds (distance) P-C4' energy: -77.045
flat angles C4'-P-C4' energy: -83.073
flat angles P-C4'-P energy: -38.504
tors. eta vs tors. theta energy: -73.631
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: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -867.619757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.619757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.619757 (E_RNA)
where:
Base-Base interactions energy: -543.110
where: short stacking energy: -251.159
Base-Backbone interact. energy: 1.164
local terms energy: -325.673760
where:
bonds (distance) C4'-P energy: -85.314
bonds (distance) P-C4' energy: -73.741
flat angles C4'-P-C4' energy: -82.699
flat angles P-C4'-P energy: -44.197
tors. eta vs tors. theta energy: -39.724
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: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -758.073928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.073928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.073928 (E_RNA)
where:
Base-Base interactions energy: -459.121
where: short stacking energy: -222.084
Base-Backbone interact. energy: 2.031
local terms energy: -300.983633
where:
bonds (distance) C4'-P energy: -73.614
bonds (distance) P-C4' energy: -76.986
flat angles C4'-P-C4' energy: -77.218
flat angles P-C4'-P energy: -40.035
tors. eta vs tors. theta energy: -33.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -657.047733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.047733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.047733 (E_RNA)
where:
Base-Base interactions energy: -377.566
where: short stacking energy: -174.897
Base-Backbone interact. energy: -0.911
local terms energy: -278.571493
where:
bonds (distance) C4'-P energy: -65.485
bonds (distance) P-C4' energy: -76.194
flat angles C4'-P-C4' energy: -66.716
flat angles P-C4'-P energy: -55.587
tors. eta vs tors. theta energy: -14.590
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: 10
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1582.473098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.473098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.473098 (E_RNA)
where:
Base-Base interactions energy: -1083.319
where: short stacking energy: -471.561
Base-Backbone interact. energy: -2.583
local terms energy: -496.571658
where:
bonds (distance) C4'-P energy: -97.208
bonds (distance) P-C4' energy: -101.695
flat angles C4'-P-C4' energy: -106.651
flat angles P-C4'-P energy: -66.452
tors. eta vs tors. theta energy: -124.565
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: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1528.017026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.017026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.017026 (E_RNA)
where:
Base-Base interactions energy: -1065.020
where: short stacking energy: -454.316
Base-Backbone interact. energy: -1.817
local terms energy: -461.180023
where:
bonds (distance) C4'-P energy: -87.446
bonds (distance) P-C4' energy: -92.993
flat angles C4'-P-C4' energy: -92.275
flat angles P-C4'-P energy: -62.894
tors. eta vs tors. theta energy: -125.572
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: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1485.953798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.953798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.953798 (E_RNA)
where:
Base-Base interactions energy: -1008.490
where: short stacking energy: -442.591
Base-Backbone interact. energy: -2.851
local terms energy: -474.613083
where:
bonds (distance) C4'-P energy: -81.014
bonds (distance) P-C4' energy: -90.445
flat angles C4'-P-C4' energy: -102.755
flat angles P-C4'-P energy: -65.821
tors. eta vs tors. theta energy: -134.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1372.421157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.421157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.421157 (E_RNA)
where:
Base-Base interactions energy: -931.835
where: short stacking energy: -401.967
Base-Backbone interact. energy: -1.482
local terms energy: -439.104826
where:
bonds (distance) C4'-P energy: -84.328
bonds (distance) P-C4' energy: -80.616
flat angles C4'-P-C4' energy: -106.083
flat angles P-C4'-P energy: -66.941
tors. eta vs tors. theta energy: -101.137
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: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1313.774129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.774129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.774129 (E_RNA)
where:
Base-Base interactions energy: -888.713
where: short stacking energy: -407.367
Base-Backbone interact. energy: -0.570
local terms energy: -424.490951
where:
bonds (distance) C4'-P energy: -80.103
bonds (distance) P-C4' energy: -78.467
flat angles C4'-P-C4' energy: -91.750
flat angles P-C4'-P energy: -67.176
tors. eta vs tors. theta energy: -106.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1209.752980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.752980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.752980 (E_RNA)
where:
Base-Base interactions energy: -829.961
where: short stacking energy: -349.470
Base-Backbone interact. energy: -1.556
local terms energy: -378.235935
where:
bonds (distance) C4'-P energy: -75.344
bonds (distance) P-C4' energy: -84.719
flat angles C4'-P-C4' energy: -90.631
flat angles P-C4'-P energy: -47.095
tors. eta vs tors. theta energy: -80.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1062.490977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.490977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.490977 (E_RNA)
where:
Base-Base interactions energy: -689.557
where: short stacking energy: -278.849
Base-Backbone interact. energy: -1.591
local terms energy: -371.342992
where:
bonds (distance) C4'-P energy: -94.749
bonds (distance) P-C4' energy: -85.279
flat angles C4'-P-C4' energy: -75.741
flat angles P-C4'-P energy: -55.654
tors. eta vs tors. theta energy: -59.919
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: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -918.220593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.220593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.220593 (E_RNA)
where:
Base-Base interactions energy: -590.397
where: short stacking energy: -266.363
Base-Backbone interact. energy: -3.685
local terms energy: -324.138306
where:
bonds (distance) C4'-P energy: -61.996
bonds (distance) P-C4' energy: -81.713
flat angles C4'-P-C4' energy: -74.794
flat angles P-C4'-P energy: -52.514
tors. eta vs tors. theta energy: -53.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -676.536076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.536076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.536076 (E_RNA)
where:
Base-Base interactions energy: -407.299
where: short stacking energy: -216.416
Base-Backbone interact. energy: 1.336
local terms energy: -270.573399
where:
bonds (distance) C4'-P energy: -73.333
bonds (distance) P-C4' energy: -53.438
flat angles C4'-P-C4' energy: -72.677
flat angles P-C4'-P energy: -46.027
tors. eta vs tors. theta energy: -25.098
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: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -738.360895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.360895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.360895 (E_RNA)
where:
Base-Base interactions energy: -455.781
where: short stacking energy: -218.514
Base-Backbone interact. energy: 0.484
local terms energy: -283.064291
where:
bonds (distance) C4'-P energy: -77.534
bonds (distance) P-C4' energy: -70.780
flat angles C4'-P-C4' energy: -76.639
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -20.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1581.568153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.568153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.568153 (E_RNA)
where:
Base-Base interactions energy: -1095.951
where: short stacking energy: -473.011
Base-Backbone interact. energy: -3.539
local terms energy: -482.077515
where:
bonds (distance) C4'-P energy: -93.803
bonds (distance) P-C4' energy: -79.550
flat angles C4'-P-C4' energy: -110.255
flat angles P-C4'-P energy: -63.614
tors. eta vs tors. theta energy: -134.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1532.270612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.270612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.270612 (E_RNA)
where:
Base-Base interactions energy: -1070.035
where: short stacking energy: -453.786
Base-Backbone interact. energy: 3.260
local terms energy: -465.495000
where:
bonds (distance) C4'-P energy: -88.477
bonds (distance) P-C4' energy: -85.016
flat angles C4'-P-C4' energy: -98.103
flat angles P-C4'-P energy: -73.183
tors. eta vs tors. theta energy: -120.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1448.617357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.617357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.617357 (E_RNA)
where:
Base-Base interactions energy: -996.499
where: short stacking energy: -425.552
Base-Backbone interact. energy: -1.413
local terms energy: -450.705595
where:
bonds (distance) C4'-P energy: -95.559
bonds (distance) P-C4' energy: -77.588
flat angles C4'-P-C4' energy: -94.379
flat angles P-C4'-P energy: -67.420
tors. eta vs tors. theta energy: -115.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1337.301939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.301939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.301939 (E_RNA)
where:
Base-Base interactions energy: -904.861
where: short stacking energy: -387.458
Base-Backbone interact. energy: 0.046
local terms energy: -432.487360
where:
bonds (distance) C4'-P energy: -89.711
bonds (distance) P-C4' energy: -80.544
flat angles C4'-P-C4' energy: -99.048
flat angles P-C4'-P energy: -63.505
tors. eta vs tors. theta energy: -99.679
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: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1313.956124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.956124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.956124 (E_RNA)
where:
Base-Base interactions energy: -894.392
where: short stacking energy: -397.682
Base-Backbone interact. energy: -1.346
local terms energy: -418.217966
where:
bonds (distance) C4'-P energy: -83.817
bonds (distance) P-C4' energy: -77.794
flat angles C4'-P-C4' energy: -88.202
flat angles P-C4'-P energy: -58.306
tors. eta vs tors. theta energy: -110.099
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: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1234.646180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.646180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.646180 (E_RNA)
where:
Base-Base interactions energy: -826.794
where: short stacking energy: -353.950
Base-Backbone interact. energy: -3.771
local terms energy: -404.080611
where:
bonds (distance) C4'-P energy: -90.275
bonds (distance) P-C4' energy: -95.952
flat angles C4'-P-C4' energy: -77.207
flat angles P-C4'-P energy: -55.301
tors. eta vs tors. theta energy: -85.347
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: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1082.578235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.578235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.578235 (E_RNA)
where:
Base-Base interactions energy: -719.056
where: short stacking energy: -313.212
Base-Backbone interact. energy: -0.858
local terms energy: -362.664339
where:
bonds (distance) C4'-P energy: -81.240
bonds (distance) P-C4' energy: -79.131
flat angles C4'-P-C4' energy: -78.467
flat angles P-C4'-P energy: -53.261
tors. eta vs tors. theta energy: -70.565
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: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -904.438389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.438389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.438389 (E_RNA)
where:
Base-Base interactions energy: -575.537
where: short stacking energy: -261.694
Base-Backbone interact. energy: -1.552
local terms energy: -327.349363
where:
bonds (distance) C4'-P energy: -63.238
bonds (distance) P-C4' energy: -79.101
flat angles C4'-P-C4' energy: -76.660
flat angles P-C4'-P energy: -57.563
tors. eta vs tors. theta energy: -50.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -758.510864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.510864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.510864 (E_RNA)
where:
Base-Base interactions energy: -468.959
where: short stacking energy: -242.048
Base-Backbone interact. energy: -0.393
local terms energy: -289.159187
where:
bonds (distance) C4'-P energy: -85.915
bonds (distance) P-C4' energy: -54.567
flat angles C4'-P-C4' energy: -63.424
flat angles P-C4'-P energy: -43.108
tors. eta vs tors. theta energy: -42.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -736.319629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.319629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.319629 (E_RNA)
where:
Base-Base interactions energy: -442.475
where: short stacking energy: -210.708
Base-Backbone interact. energy: -3.155
local terms energy: -290.689963
where:
bonds (distance) C4'-P energy: -73.611
bonds (distance) P-C4' energy: -75.463
flat angles C4'-P-C4' energy: -72.321
flat angles P-C4'-P energy: -46.207
tors. eta vs tors. theta energy: -23.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1600.630489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.630489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.630489 (E_RNA)
where:
Base-Base interactions energy: -1111.279
where: short stacking energy: -472.977
Base-Backbone interact. energy: -3.284
local terms energy: -486.067395
where:
bonds (distance) C4'-P energy: -94.969
bonds (distance) P-C4' energy: -95.659
flat angles C4'-P-C4' energy: -103.169
flat angles P-C4'-P energy: -61.130
tors. eta vs tors. theta energy: -131.141
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: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1519.648392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.648392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.648392 (E_RNA)
where:
Base-Base interactions energy: -1058.545
where: short stacking energy: -432.305
Base-Backbone interact. energy: 0.792
local terms energy: -461.895558
where:
bonds (distance) C4'-P energy: -93.125
bonds (distance) P-C4' energy: -89.468
flat angles C4'-P-C4' energy: -99.923
flat angles P-C4'-P energy: -58.606
tors. eta vs tors. theta energy: -120.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1471.914131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.914131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.914131 (E_RNA)
where:
Base-Base interactions energy: -999.493
where: short stacking energy: -428.904
Base-Backbone interact. energy: -0.679
local terms energy: -471.742151
where:
bonds (distance) C4'-P energy: -97.796
bonds (distance) P-C4' energy: -90.804
flat angles C4'-P-C4' energy: -97.588
flat angles P-C4'-P energy: -65.137
tors. eta vs tors. theta energy: -120.417
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: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1350.923811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.923811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.923811 (E_RNA)
where:
Base-Base interactions energy: -906.209
where: short stacking energy: -396.154
Base-Backbone interact. energy: -1.656
local terms energy: -443.058678
where:
bonds (distance) C4'-P energy: -89.192
bonds (distance) P-C4' energy: -97.934
flat angles C4'-P-C4' energy: -105.405
flat angles P-C4'-P energy: -49.573
tors. eta vs tors. theta energy: -100.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1305.290357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.290357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.290357 (E_RNA)
where:
Base-Base interactions energy: -911.584
where: short stacking energy: -395.897
Base-Backbone interact. energy: 5.764
local terms energy: -399.469916
where:
bonds (distance) C4'-P energy: -71.423
bonds (distance) P-C4' energy: -69.531
flat angles C4'-P-C4' energy: -102.229
flat angles P-C4'-P energy: -51.230
tors. eta vs tors. theta energy: -105.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1258.909246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.909246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.909246 (E_RNA)
where:
Base-Base interactions energy: -869.005
where: short stacking energy: -383.443
Base-Backbone interact. energy: 0.215
local terms energy: -390.119260
where:
bonds (distance) C4'-P energy: -66.850
bonds (distance) P-C4' energy: -88.751
flat angles C4'-P-C4' energy: -79.520
flat angles P-C4'-P energy: -53.269
tors. eta vs tors. theta energy: -101.730
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: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1092.581090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.581090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.581090 (E_RNA)
where:
Base-Base interactions energy: -717.200
where: short stacking energy: -297.009
Base-Backbone interact. energy: 1.014
local terms energy: -376.394857
where:
bonds (distance) C4'-P energy: -83.049
bonds (distance) P-C4' energy: -82.044
flat angles C4'-P-C4' energy: -89.612
flat angles P-C4'-P energy: -55.040
tors. eta vs tors. theta energy: -66.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -883.428274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.428274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.428274 (E_RNA)
where:
Base-Base interactions energy: -561.284
where: short stacking energy: -247.777
Base-Backbone interact. energy: 0.069
local terms energy: -322.213299
where:
bonds (distance) C4'-P energy: -80.388
bonds (distance) P-C4' energy: -78.101
flat angles C4'-P-C4' energy: -79.012
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: -41.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -798.986839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.986839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.986839 (E_RNA)
where:
Base-Base interactions energy: -485.747
where: short stacking energy: -218.799
Base-Backbone interact. energy: 0.702
local terms energy: -313.942566
where:
bonds (distance) C4'-P energy: -69.655
bonds (distance) P-C4' energy: -78.481
flat angles C4'-P-C4' energy: -74.480
flat angles P-C4'-P energy: -52.255
tors. eta vs tors. theta energy: -39.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -705.992178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.992178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.992178 (E_RNA)
where:
Base-Base interactions energy: -449.669
where: short stacking energy: -222.403
Base-Backbone interact. energy: 5.418
local terms energy: -261.741523
where:
bonds (distance) C4'-P energy: -75.314
bonds (distance) P-C4' energy: -77.285
flat angles C4'-P-C4' energy: -44.278
flat angles P-C4'-P energy: -35.723
tors. eta vs tors. theta energy: -29.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1567.073151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.073151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.073151 (E_RNA)
where:
Base-Base interactions energy: -1096.345
where: short stacking energy: -491.648
Base-Backbone interact. energy: -3.673
local terms energy: -467.054931
where:
bonds (distance) C4'-P energy: -78.526
bonds (distance) P-C4' energy: -83.099
flat angles C4'-P-C4' energy: -109.997
flat angles P-C4'-P energy: -63.903
tors. eta vs tors. theta energy: -131.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1551.307143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.307143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.307143 (E_RNA)
where:
Base-Base interactions energy: -1103.305
where: short stacking energy: -453.769
Base-Backbone interact. energy: 3.653
local terms energy: -451.654576
where:
bonds (distance) C4'-P energy: -72.279
bonds (distance) P-C4' energy: -92.483
flat angles C4'-P-C4' energy: -93.095
flat angles P-C4'-P energy: -75.362
tors. eta vs tors. theta energy: -118.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1487.698123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.698123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.698123 (E_RNA)
where:
Base-Base interactions energy: -1015.027
where: short stacking energy: -432.917
Base-Backbone interact. energy: -2.499
local terms energy: -470.171698
where:
bonds (distance) C4'-P energy: -86.225
bonds (distance) P-C4' energy: -92.742
flat angles C4'-P-C4' energy: -98.314
flat angles P-C4'-P energy: -68.716
tors. eta vs tors. theta energy: -124.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1346.885937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.885937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.885937 (E_RNA)
where:
Base-Base interactions energy: -928.427
where: short stacking energy: -408.878
Base-Backbone interact. energy: -1.295
local terms energy: -417.163728
where:
bonds (distance) C4'-P energy: -86.298
bonds (distance) P-C4' energy: -81.396
flat angles C4'-P-C4' energy: -92.023
flat angles P-C4'-P energy: -61.209
tors. eta vs tors. theta energy: -96.237
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: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1289.410738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.410738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.410738 (E_RNA)
where:
Base-Base interactions energy: -908.202
where: short stacking energy: -376.961
Base-Backbone interact. energy: -2.683
local terms energy: -378.525864
where:
bonds (distance) C4'-P energy: -64.079
bonds (distance) P-C4' energy: -83.068
flat angles C4'-P-C4' energy: -84.208
flat angles P-C4'-P energy: -52.362
tors. eta vs tors. theta energy: -94.808
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: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1241.618354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.618354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.618354 (E_RNA)
where:
Base-Base interactions energy: -839.083
where: short stacking energy: -354.636
Base-Backbone interact. energy: -0.605
local terms energy: -401.931184
where:
bonds (distance) C4'-P energy: -79.884
bonds (distance) P-C4' energy: -91.516
flat angles C4'-P-C4' energy: -86.494
flat angles P-C4'-P energy: -53.091
tors. eta vs tors. theta energy: -90.946
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: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1127.031647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.031647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.031647 (E_RNA)
where:
Base-Base interactions energy: -770.124
where: short stacking energy: -354.037
Base-Backbone interact. energy: 1.935
local terms energy: -358.843260
where:
bonds (distance) C4'-P energy: -62.585
bonds (distance) P-C4' energy: -81.958
flat angles C4'-P-C4' energy: -92.788
flat angles P-C4'-P energy: -47.005
tors. eta vs tors. theta energy: -74.507
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: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -902.093938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.093938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.093938 (E_RNA)
where:
Base-Base interactions energy: -616.914
where: short stacking energy: -271.978
Base-Backbone interact. energy: -2.102
local terms energy: -283.078216
where:
bonds (distance) C4'-P energy: -58.064
bonds (distance) P-C4' energy: -67.177
flat angles C4'-P-C4' energy: -77.191
flat angles P-C4'-P energy: -48.588
tors. eta vs tors. theta energy: -32.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -746.730988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.730988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.730988 (E_RNA)
where:
Base-Base interactions energy: -454.599
where: short stacking energy: -229.446
Base-Backbone interact. energy: 0.798
local terms energy: -292.929551
where:
bonds (distance) C4'-P energy: -84.197
bonds (distance) P-C4' energy: -78.814
flat angles C4'-P-C4' energy: -70.329
flat angles P-C4'-P energy: -32.820
tors. eta vs tors. theta energy: -26.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -689.518490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.518490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.518490 (E_RNA)
where:
Base-Base interactions energy: -429.434
where: short stacking energy: -190.935
Base-Backbone interact. energy: -0.958
local terms energy: -259.126412
where:
bonds (distance) C4'-P energy: -85.557
bonds (distance) P-C4' energy: -69.368
flat angles C4'-P-C4' energy: -51.790
flat angles P-C4'-P energy: -33.505
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1574.887360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.887360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.887360 (E_RNA)
where:
Base-Base interactions energy: -1101.825
where: short stacking energy: -450.898
Base-Backbone interact. energy: -2.944
local terms energy: -470.118537
where:
bonds (distance) C4'-P energy: -77.836
bonds (distance) P-C4' energy: -95.492
flat angles C4'-P-C4' energy: -106.684
flat angles P-C4'-P energy: -67.090
tors. eta vs tors. theta energy: -123.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1548.668518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.668518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.668518 (E_RNA)
where:
Base-Base interactions energy: -1092.915
where: short stacking energy: -456.231
Base-Backbone interact. energy: 1.532
local terms energy: -457.285649
where:
bonds (distance) C4'-P energy: -84.190
bonds (distance) P-C4' energy: -96.952
flat angles C4'-P-C4' energy: -96.800
flat angles P-C4'-P energy: -49.677
tors. eta vs tors. theta energy: -129.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1435.445076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.445076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.445076 (E_RNA)
where:
Base-Base interactions energy: -997.910
where: short stacking energy: -409.272
Base-Backbone interact. energy: -0.448
local terms energy: -437.087176
where:
bonds (distance) C4'-P energy: -75.266
bonds (distance) P-C4' energy: -91.144
flat angles C4'-P-C4' energy: -101.930
flat angles P-C4'-P energy: -64.040
tors. eta vs tors. theta energy: -104.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1350.224959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.224959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.224959 (E_RNA)
where:
Base-Base interactions energy: -926.151
where: short stacking energy: -411.335
Base-Backbone interact. energy: -0.963
local terms energy: -423.111122
where:
bonds (distance) C4'-P energy: -85.277
bonds (distance) P-C4' energy: -87.206
flat angles C4'-P-C4' energy: -88.029
flat angles P-C4'-P energy: -55.245
tors. eta vs tors. theta energy: -107.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1320.170869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.170869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.170869 (E_RNA)
where:
Base-Base interactions energy: -899.639
where: short stacking energy: -397.504
Base-Backbone interact. energy: -4.725
local terms energy: -415.807476
where:
bonds (distance) C4'-P energy: -87.593
bonds (distance) P-C4' energy: -84.462
flat angles C4'-P-C4' energy: -86.086
flat angles P-C4'-P energy: -55.096
tors. eta vs tors. theta energy: -102.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1285.334909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.334909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.334909 (E_RNA)
where:
Base-Base interactions energy: -878.357
where: short stacking energy: -405.081
Base-Backbone interact. energy: 1.545
local terms energy: -408.522844
where:
bonds (distance) C4'-P energy: -83.680
bonds (distance) P-C4' energy: -81.659
flat angles C4'-P-C4' energy: -87.509
flat angles P-C4'-P energy: -47.352
tors. eta vs tors. theta energy: -108.322
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: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1101.372693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.372693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.372693 (E_RNA)
where:
Base-Base interactions energy: -742.188
where: short stacking energy: -324.401
Base-Backbone interact. energy: 1.084
local terms energy: -360.268660
where:
bonds (distance) C4'-P energy: -65.143
bonds (distance) P-C4' energy: -82.750
flat angles C4'-P-C4' energy: -86.011
flat angles P-C4'-P energy: -52.485
tors. eta vs tors. theta energy: -73.881
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: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -839.938847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.938847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.938847 (E_RNA)
where:
Base-Base interactions energy: -499.816
where: short stacking energy: -226.551
Base-Backbone interact. energy: -1.875
local terms energy: -338.247612
where:
bonds (distance) C4'-P energy: -70.465
bonds (distance) P-C4' energy: -83.354
flat angles C4'-P-C4' energy: -89.736
flat angles P-C4'-P energy: -48.119
tors. eta vs tors. theta energy: -46.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -732.835357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.835357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.835357 (E_RNA)
where:
Base-Base interactions energy: -453.263
where: short stacking energy: -229.730
Base-Backbone interact. energy: 2.618
local terms energy: -282.190632
where:
bonds (distance) C4'-P energy: -59.217
bonds (distance) P-C4' energy: -80.611
flat angles C4'-P-C4' energy: -72.393
flat angles P-C4'-P energy: -37.601
tors. eta vs tors. theta energy: -32.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -627.372382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.372382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.372382 (E_RNA)
where:
Base-Base interactions energy: -373.790
where: short stacking energy: -173.368
Base-Backbone interact. energy: 3.707
local terms energy: -257.288921
where:
bonds (distance) C4'-P energy: -71.028
bonds (distance) P-C4' energy: -67.347
flat angles C4'-P-C4' energy: -64.850
flat angles P-C4'-P energy: -45.736
tors. eta vs tors. theta energy: -8.329
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: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1535.795302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.795302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.795302 (E_RNA)
where:
Base-Base interactions energy: -1051.041
where: short stacking energy: -428.408
Base-Backbone interact. energy: -1.974
local terms energy: -482.781072
where:
bonds (distance) C4'-P energy: -100.136
bonds (distance) P-C4' energy: -91.707
flat angles C4'-P-C4' energy: -102.318
flat angles P-C4'-P energy: -69.965
tors. eta vs tors. theta energy: -118.656
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: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1507.301934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.301934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.301934 (E_RNA)
where:
Base-Base interactions energy: -1048.005
where: short stacking energy: -434.921
Base-Backbone interact. energy: -1.488
local terms energy: -457.809347
where:
bonds (distance) C4'-P energy: -96.434
bonds (distance) P-C4' energy: -99.436
flat angles C4'-P-C4' energy: -100.625
flat angles P-C4'-P energy: -45.677
tors. eta vs tors. theta energy: -115.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1449.237514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.237514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.237514 (E_RNA)
where:
Base-Base interactions energy: -1007.761
where: short stacking energy: -436.491
Base-Backbone interact. energy: -0.669
local terms energy: -440.808079
where:
bonds (distance) C4'-P energy: -89.224
bonds (distance) P-C4' energy: -85.974
flat angles C4'-P-C4' energy: -94.433
flat angles P-C4'-P energy: -59.259
tors. eta vs tors. theta energy: -111.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1330.059128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.059128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.059128 (E_RNA)
where:
Base-Base interactions energy: -904.706
where: short stacking energy: -392.431
Base-Backbone interact. energy: -3.285
local terms energy: -422.068732
where:
bonds (distance) C4'-P energy: -74.932
bonds (distance) P-C4' energy: -92.355
flat angles C4'-P-C4' energy: -90.403
flat angles P-C4'-P energy: -64.009
tors. eta vs tors. theta energy: -100.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1318.316710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.316710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.316710 (E_RNA)
where:
Base-Base interactions energy: -906.766
where: short stacking energy: -384.541
Base-Backbone interact. energy: 0.092
local terms energy: -411.642532
where:
bonds (distance) C4'-P energy: -68.591
bonds (distance) P-C4' energy: -74.363
flat angles C4'-P-C4' energy: -106.540
flat angles P-C4'-P energy: -62.926
tors. eta vs tors. theta energy: -99.222
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: 241
Temperature: 1.150000
Total energy: -1287.865245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.865245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.865245 (E_RNA)
where:
Base-Base interactions energy: -899.686
where: short stacking energy: -396.912
Base-Backbone interact. energy: -1.348
local terms energy: -386.831720
where:
bonds (distance) C4'-P energy: -75.158
bonds (distance) P-C4' energy: -74.879
flat angles C4'-P-C4' energy: -80.150
flat angles P-C4'-P energy: -45.459
tors. eta vs tors. theta energy: -111.185
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: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1059.362300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.362300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.362300 (E_RNA)
where:
Base-Base interactions energy: -693.497
where: short stacking energy: -311.542
Base-Backbone interact. energy: -1.463
local terms energy: -364.402367
where:
bonds (distance) C4'-P energy: -81.071
bonds (distance) P-C4' energy: -80.766
flat angles C4'-P-C4' energy: -79.987
flat angles P-C4'-P energy: -48.753
tors. eta vs tors. theta energy: -73.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -822.718106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.718106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.718106 (E_RNA)
where:
Base-Base interactions energy: -524.022
where: short stacking energy: -273.238
Base-Backbone interact. energy: 4.667
local terms energy: -303.362302
where:
bonds (distance) C4'-P energy: -70.270
bonds (distance) P-C4' energy: -72.313
flat angles C4'-P-C4' energy: -74.190
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: -45.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -725.119379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.119379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.119379 (E_RNA)
where:
Base-Base interactions energy: -430.660
where: short stacking energy: -222.259
Base-Backbone interact. energy: 5.428
local terms energy: -299.888055
where:
bonds (distance) C4'-P energy: -76.627
bonds (distance) P-C4' energy: -74.100
flat angles C4'-P-C4' energy: -71.068
flat angles P-C4'-P energy: -54.015
tors. eta vs tors. theta energy: -24.078
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: 241
Temperature: 1.350000
Total energy: -714.842246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.842246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.842246 (E_RNA)
where:
Base-Base interactions energy: -423.869
where: short stacking energy: -197.137
Base-Backbone interact. energy: -1.396
local terms energy: -289.576831
where:
bonds (distance) C4'-P energy: -73.547
bonds (distance) P-C4' energy: -71.842
flat angles C4'-P-C4' energy: -65.123
flat angles P-C4'-P energy: -50.205
tors. eta vs tors. theta energy: -28.859
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: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1586.972877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.972877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.972877 (E_RNA)
where:
Base-Base interactions energy: -1103.942
where: short stacking energy: -478.054
Base-Backbone interact. energy: -2.373
local terms energy: -480.658591
where:
bonds (distance) C4'-P energy: -94.552
bonds (distance) P-C4' energy: -92.280
flat angles C4'-P-C4' energy: -102.305
flat angles P-C4'-P energy: -67.242
tors. eta vs tors. theta energy: -124.279
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: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1523.861183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.861183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.861183 (E_RNA)
where:
Base-Base interactions energy: -1073.264
where: short stacking energy: -450.943
Base-Backbone interact. energy: 0.791
local terms energy: -451.388493
where:
bonds (distance) C4'-P energy: -87.586
bonds (distance) P-C4' energy: -82.561
flat angles C4'-P-C4' energy: -95.961
flat angles P-C4'-P energy: -62.705
tors. eta vs tors. theta energy: -122.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1438.274445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.274445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.274445 (E_RNA)
where:
Base-Base interactions energy: -983.478
where: short stacking energy: -430.610
Base-Backbone interact. energy: -2.691
local terms energy: -452.105428
where:
bonds (distance) C4'-P energy: -75.831
bonds (distance) P-C4' energy: -96.993
flat angles C4'-P-C4' energy: -99.817
flat angles P-C4'-P energy: -59.711
tors. eta vs tors. theta energy: -119.753
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: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1330.718607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.718607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.718607 (E_RNA)
where:
Base-Base interactions energy: -894.512
where: short stacking energy: -377.447
Base-Backbone interact. energy: -3.483
local terms energy: -432.724320
where:
bonds (distance) C4'-P energy: -81.965
bonds (distance) P-C4' energy: -92.662
flat angles C4'-P-C4' energy: -90.245
flat angles P-C4'-P energy: -65.671
tors. eta vs tors. theta energy: -102.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1321.492724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.492724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.492724 (E_RNA)
where:
Base-Base interactions energy: -905.984
where: short stacking energy: -411.703
Base-Backbone interact. energy: -2.866
local terms energy: -412.642595
where:
bonds (distance) C4'-P energy: -89.466
bonds (distance) P-C4' energy: -88.219
flat angles C4'-P-C4' energy: -90.297
flat angles P-C4'-P energy: -43.331
tors. eta vs tors. theta energy: -101.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1242.120282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.120282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.120282 (E_RNA)
where:
Base-Base interactions energy: -851.343
where: short stacking energy: -355.391
Base-Backbone interact. energy: -0.801
local terms energy: -389.976552
where:
bonds (distance) C4'-P energy: -96.704
bonds (distance) P-C4' energy: -76.579
flat angles C4'-P-C4' energy: -66.895
flat angles P-C4'-P energy: -64.259
tors. eta vs tors. theta energy: -85.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1078.906456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.906456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.906456 (E_RNA)
where:
Base-Base interactions energy: -701.586
where: short stacking energy: -306.698
Base-Backbone interact. energy: -2.131
local terms energy: -375.188933
where:
bonds (distance) C4'-P energy: -89.029
bonds (distance) P-C4' energy: -86.501
flat angles C4'-P-C4' energy: -77.943
flat angles P-C4'-P energy: -51.314
tors. eta vs tors. theta energy: -70.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -898.113881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.113881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.113881 (E_RNA)
where:
Base-Base interactions energy: -580.438
where: short stacking energy: -268.586
Base-Backbone interact. energy: -0.914
local terms energy: -316.761505
where:
bonds (distance) C4'-P energy: -68.073
bonds (distance) P-C4' energy: -70.839
flat angles C4'-P-C4' energy: -76.707
flat angles P-C4'-P energy: -48.085
tors. eta vs tors. theta energy: -53.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -781.143530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.143530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.143530 (E_RNA)
where:
Base-Base interactions energy: -475.147
where: short stacking energy: -240.744
Base-Backbone interact. energy: -1.165
local terms energy: -304.831164
where:
bonds (distance) C4'-P energy: -61.716
bonds (distance) P-C4' energy: -84.225
flat angles C4'-P-C4' energy: -85.120
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -36.875
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: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -678.562222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.562222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.562222 (E_RNA)
where:
Base-Base interactions energy: -399.190
where: short stacking energy: -195.755
Base-Backbone interact. energy: -1.550
local terms energy: -277.822189
where:
bonds (distance) C4'-P energy: -69.914
bonds (distance) P-C4' energy: -74.384
flat angles C4'-P-C4' energy: -78.319
flat angles P-C4'-P energy: -32.688
tors. eta vs tors. theta energy: -22.518
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: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1561.226285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.226285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.226285 (E_RNA)
where:
Base-Base interactions energy: -1088.633
where: short stacking energy: -463.285
Base-Backbone interact. energy: 0.819
local terms energy: -473.412340
where:
bonds (distance) C4'-P energy: -92.095
bonds (distance) P-C4' energy: -92.222
flat angles C4'-P-C4' energy: -95.361
flat angles P-C4'-P energy: -65.204
tors. eta vs tors. theta energy: -128.530
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: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1488.095865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.095865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.095865 (E_RNA)
where:
Base-Base interactions energy: -1059.875
where: short stacking energy: -413.529
Base-Backbone interact. energy: -1.579
local terms energy: -426.641146
where:
bonds (distance) C4'-P energy: -87.544
bonds (distance) P-C4' energy: -81.624
flat angles C4'-P-C4' energy: -94.780
flat angles P-C4'-P energy: -60.088
tors. eta vs tors. theta energy: -102.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1446.116485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.116485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.116485 (E_RNA)
where:
Base-Base interactions energy: -990.216
where: short stacking energy: -426.295
Base-Backbone interact. energy: 1.269
local terms energy: -457.169243
where:
bonds (distance) C4'-P energy: -75.208
bonds (distance) P-C4' energy: -81.529
flat angles C4'-P-C4' energy: -101.989
flat angles P-C4'-P energy: -72.149
tors. eta vs tors. theta energy: -126.294
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: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1354.183436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.183436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.183436 (E_RNA)
where:
Base-Base interactions energy: -938.179
where: short stacking energy: -415.407
Base-Backbone interact. energy: -4.143
local terms energy: -411.861374
where:
bonds (distance) C4'-P energy: -70.783
bonds (distance) P-C4' energy: -81.469
flat angles C4'-P-C4' energy: -97.006
flat angles P-C4'-P energy: -61.273
tors. eta vs tors. theta energy: -101.330
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: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1339.469634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.469634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.469634 (E_RNA)
where:
Base-Base interactions energy: -911.421
where: short stacking energy: -393.727
Base-Backbone interact. energy: 1.284
local terms energy: -429.333330
where:
bonds (distance) C4'-P energy: -80.998
bonds (distance) P-C4' energy: -86.421
flat angles C4'-P-C4' energy: -89.035
flat angles P-C4'-P energy: -63.559
tors. eta vs tors. theta energy: -109.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1255.669521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.669521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.669521 (E_RNA)
where:
Base-Base interactions energy: -876.115
where: short stacking energy: -371.841
Base-Backbone interact. energy: -1.551
local terms energy: -378.002896
where:
bonds (distance) C4'-P energy: -75.657
bonds (distance) P-C4' energy: -71.141
flat angles C4'-P-C4' energy: -96.168
flat angles P-C4'-P energy: -41.752
tors. eta vs tors. theta energy: -93.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1048.252652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.252652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.252652 (E_RNA)
where:
Base-Base interactions energy: -701.669
where: short stacking energy: -293.567
Base-Backbone interact. energy: 2.326
local terms energy: -348.910177
where:
bonds (distance) C4'-P energy: -72.952
bonds (distance) P-C4' energy: -83.508
flat angles C4'-P-C4' energy: -82.107
flat angles P-C4'-P energy: -47.811
tors. eta vs tors. theta energy: -62.532
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: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -826.292123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.292123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.292123 (E_RNA)
where:
Base-Base interactions energy: -520.665
where: short stacking energy: -237.550
Base-Backbone interact. energy: -2.358
local terms energy: -303.269235
where:
bonds (distance) C4'-P energy: -69.434
bonds (distance) P-C4' energy: -80.394
flat angles C4'-P-C4' energy: -69.878
flat angles P-C4'-P energy: -40.396
tors. eta vs tors. theta energy: -43.169
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: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -834.964921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.964921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.964921 (E_RNA)
where:
Base-Base interactions energy: -512.349
where: short stacking energy: -257.831
Base-Backbone interact. energy: -1.946
local terms energy: -320.669461
where:
bonds (distance) C4'-P energy: -82.651
bonds (distance) P-C4' energy: -79.472
flat angles C4'-P-C4' energy: -79.636
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: -41.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -677.695518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.695518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.695518 (E_RNA)
where:
Base-Base interactions energy: -404.558
where: short stacking energy: -181.231
Base-Backbone interact. energy: 2.557
local terms energy: -275.694460
where:
bonds (distance) C4'-P energy: -73.354
bonds (distance) P-C4' energy: -84.579
flat angles C4'-P-C4' energy: -61.836
flat angles P-C4'-P energy: -42.227
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1566.363304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.363304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.363304 (E_RNA)
where:
Base-Base interactions energy: -1076.927
where: short stacking energy: -455.712
Base-Backbone interact. energy: -1.242
local terms energy: -488.194219
where:
bonds (distance) C4'-P energy: -91.848
bonds (distance) P-C4' energy: -97.508
flat angles C4'-P-C4' energy: -108.938
flat angles P-C4'-P energy: -65.387
tors. eta vs tors. theta energy: -124.512
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: 244
Temperature: 0.950000
Total energy: -1515.684856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.684856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.684856 (E_RNA)
where:
Base-Base interactions energy: -1068.194
where: short stacking energy: -451.576
Base-Backbone interact. energy: -1.363
local terms energy: -446.128074
where:
bonds (distance) C4'-P energy: -88.055
bonds (distance) P-C4' energy: -90.803
flat angles C4'-P-C4' energy: -96.406
flat angles P-C4'-P energy: -57.882
tors. eta vs tors. theta energy: -112.982
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: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1492.592798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.592798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.592798 (E_RNA)
where:
Base-Base interactions energy: -1021.400
where: short stacking energy: -460.825
Base-Backbone interact. energy: -2.697
local terms energy: -468.495726
where:
bonds (distance) C4'-P energy: -82.865
bonds (distance) P-C4' energy: -87.832
flat angles C4'-P-C4' energy: -99.377
flat angles P-C4'-P energy: -71.063
tors. eta vs tors. theta energy: -127.359
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: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1308.311766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.311766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.311766 (E_RNA)
where:
Base-Base interactions energy: -893.284
where: short stacking energy: -381.629
Base-Backbone interact. energy: -3.579
local terms energy: -411.449602
where:
bonds (distance) C4'-P energy: -75.099
bonds (distance) P-C4' energy: -82.334
flat angles C4'-P-C4' energy: -93.568
flat angles P-C4'-P energy: -57.365
tors. eta vs tors. theta energy: -103.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1306.095317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.095317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.095317 (E_RNA)
where:
Base-Base interactions energy: -877.256
where: short stacking energy: -399.296
Base-Backbone interact. energy: -3.455
local terms energy: -425.384376
where:
bonds (distance) C4'-P energy: -88.591
bonds (distance) P-C4' energy: -88.757
flat angles C4'-P-C4' energy: -77.944
flat angles P-C4'-P energy: -54.086
tors. eta vs tors. theta energy: -116.007
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: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1247.153182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.153182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.153182 (E_RNA)
where:
Base-Base interactions energy: -850.926
where: short stacking energy: -382.960
Base-Backbone interact. energy: -1.205
local terms energy: -395.021454
where:
bonds (distance) C4'-P energy: -80.507
bonds (distance) P-C4' energy: -83.995
flat angles C4'-P-C4' energy: -78.719
flat angles P-C4'-P energy: -61.469
tors. eta vs tors. theta energy: -90.331
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: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1072.919466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.919466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.919466 (E_RNA)
where:
Base-Base interactions energy: -732.000
where: short stacking energy: -300.493
Base-Backbone interact. energy: -3.983
local terms energy: -336.936807
where:
bonds (distance) C4'-P energy: -77.253
bonds (distance) P-C4' energy: -70.422
flat angles C4'-P-C4' energy: -77.982
flat angles P-C4'-P energy: -55.121
tors. eta vs tors. theta energy: -56.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -781.385191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.385191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.385191 (E_RNA)
where:
Base-Base interactions energy: -452.151
where: short stacking energy: -233.345
Base-Backbone interact. energy: 0.584
local terms energy: -329.817686
where:
bonds (distance) C4'-P energy: -81.919
bonds (distance) P-C4' energy: -84.772
flat angles C4'-P-C4' energy: -78.064
flat angles P-C4'-P energy: -42.768
tors. eta vs tors. theta energy: -42.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -799.511087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.511087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.511087 (E_RNA)
where:
Base-Base interactions energy: -477.113
where: short stacking energy: -221.015
Base-Backbone interact. energy: 3.827
local terms energy: -326.224931
where:
bonds (distance) C4'-P energy: -77.244
bonds (distance) P-C4' energy: -80.416
flat angles C4'-P-C4' energy: -81.626
flat angles P-C4'-P energy: -53.910
tors. eta vs tors. theta energy: -33.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -626.299723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.299723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.299723 (E_RNA)
where:
Base-Base interactions energy: -369.656
where: short stacking energy: -165.422
Base-Backbone interact. energy: -1.066
local terms energy: -255.577663
where:
bonds (distance) C4'-P energy: -68.028
bonds (distance) P-C4' energy: -66.414
flat angles C4'-P-C4' energy: -70.549
flat angles P-C4'-P energy: -38.874
tors. eta vs tors. theta energy: -11.714
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: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1590.468084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.468084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.468084 (E_RNA)
where:
Base-Base interactions energy: -1119.045
where: short stacking energy: -464.771
Base-Backbone interact. energy: -1.618
local terms energy: -469.804769
where:
bonds (distance) C4'-P energy: -85.719
bonds (distance) P-C4' energy: -87.690
flat angles C4'-P-C4' energy: -101.791
flat angles P-C4'-P energy: -66.680
tors. eta vs tors. theta energy: -127.925
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: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1518.627598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.627598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.627598 (E_RNA)
where:
Base-Base interactions energy: -1067.965
where: short stacking energy: -441.449
Base-Backbone interact. energy: -2.129
local terms energy: -448.533353
where:
bonds (distance) C4'-P energy: -77.212
bonds (distance) P-C4' energy: -81.198
flat angles C4'-P-C4' energy: -93.913
flat angles P-C4'-P energy: -72.970
tors. eta vs tors. theta energy: -123.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1454.604459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.604459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.604459 (E_RNA)
where:
Base-Base interactions energy: -979.399
where: short stacking energy: -417.176
Base-Backbone interact. energy: -1.419
local terms energy: -473.786620
where:
bonds (distance) C4'-P energy: -90.530
bonds (distance) P-C4' energy: -91.858
flat angles C4'-P-C4' energy: -100.707
flat angles P-C4'-P energy: -71.611
tors. eta vs tors. theta energy: -119.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1344.863680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.863680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.863680 (E_RNA)
where:
Base-Base interactions energy: -922.611
where: short stacking energy: -410.221
Base-Backbone interact. energy: -1.048
local terms energy: -421.204239
where:
bonds (distance) C4'-P energy: -74.480
bonds (distance) P-C4' energy: -88.079
flat angles C4'-P-C4' energy: -89.428
flat angles P-C4'-P energy: -53.532
tors. eta vs tors. theta energy: -115.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1294.396555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.396555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.396555 (E_RNA)
where:
Base-Base interactions energy: -871.194
where: short stacking energy: -359.993
Base-Backbone interact. energy: -2.669
local terms energy: -420.533705
where:
bonds (distance) C4'-P energy: -77.527
bonds (distance) P-C4' energy: -90.499
flat angles C4'-P-C4' energy: -96.853
flat angles P-C4'-P energy: -65.511
tors. eta vs tors. theta energy: -90.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1253.529198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.529198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.529198 (E_RNA)
where:
Base-Base interactions energy: -836.881
where: short stacking energy: -366.287
Base-Backbone interact. energy: -1.556
local terms energy: -415.092624
where:
bonds (distance) C4'-P energy: -85.512
bonds (distance) P-C4' energy: -69.832
flat angles C4'-P-C4' energy: -100.187
flat angles P-C4'-P energy: -58.950
tors. eta vs tors. theta energy: -100.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1080.538986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.538986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.538986 (E_RNA)
where:
Base-Base interactions energy: -735.363
where: short stacking energy: -309.512
Base-Backbone interact. energy: -0.242
local terms energy: -344.934239
where:
bonds (distance) C4'-P energy: -73.291
bonds (distance) P-C4' energy: -82.732
flat angles C4'-P-C4' energy: -82.095
flat angles P-C4'-P energy: -49.343
tors. eta vs tors. theta energy: -57.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -832.554648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.554648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.554648 (E_RNA)
where:
Base-Base interactions energy: -490.824
where: short stacking energy: -242.988
Base-Backbone interact. energy: -1.210
local terms energy: -340.520281
where:
bonds (distance) C4'-P energy: -67.146
bonds (distance) P-C4' energy: -81.826
flat angles C4'-P-C4' energy: -84.048
flat angles P-C4'-P energy: -62.386
tors. eta vs tors. theta energy: -45.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -776.130630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.130630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.130630 (E_RNA)
where:
Base-Base interactions energy: -465.019
where: short stacking energy: -208.977
Base-Backbone interact. energy: 2.150
local terms energy: -313.261289
where:
bonds (distance) C4'-P energy: -81.716
bonds (distance) P-C4' energy: -85.970
flat angles C4'-P-C4' energy: -76.629
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: -30.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -677.379746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.379746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.379746 (E_RNA)
where:
Base-Base interactions energy: -420.653
where: short stacking energy: -192.519
Base-Backbone interact. energy: -1.332
local terms energy: -255.394785
where:
bonds (distance) C4'-P energy: -72.934
bonds (distance) P-C4' energy: -74.667
flat angles C4'-P-C4' energy: -59.270
flat angles P-C4'-P energy: -31.445
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1597.830856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.830856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.830856 (E_RNA)
where:
Base-Base interactions energy: -1119.977
where: short stacking energy: -482.050
Base-Backbone interact. energy: -3.439
local terms energy: -474.413932
where:
bonds (distance) C4'-P energy: -82.276
bonds (distance) P-C4' energy: -98.417
flat angles C4'-P-C4' energy: -100.789
flat angles P-C4'-P energy: -70.681
tors. eta vs tors. theta energy: -122.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1528.813490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.813490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.813490 (E_RNA)
where:
Base-Base interactions energy: -1061.663
where: short stacking energy: -452.844
Base-Backbone interact. energy: -0.306
local terms energy: -466.844770
where:
bonds (distance) C4'-P energy: -85.111
bonds (distance) P-C4' energy: -98.293
flat angles C4'-P-C4' energy: -98.777
flat angles P-C4'-P energy: -70.847
tors. eta vs tors. theta energy: -113.815
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: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1454.170299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.170299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.170299 (E_RNA)
where:
Base-Base interactions energy: -1016.176
where: short stacking energy: -447.807
Base-Backbone interact. energy: -1.572
local terms energy: -436.421605
where:
bonds (distance) C4'-P energy: -71.551
bonds (distance) P-C4' energy: -88.301
flat angles C4'-P-C4' energy: -102.482
flat angles P-C4'-P energy: -62.775
tors. eta vs tors. theta energy: -111.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1341.601503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.601503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.601503 (E_RNA)
where:
Base-Base interactions energy: -897.053
where: short stacking energy: -400.741
Base-Backbone interact. energy: -1.382
local terms energy: -443.166673
where:
bonds (distance) C4'-P energy: -78.479
bonds (distance) P-C4' energy: -85.285
flat angles C4'-P-C4' energy: -95.383
flat angles P-C4'-P energy: -68.706
tors. eta vs tors. theta energy: -115.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1344.129482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.129482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.129482 (E_RNA)
where:
Base-Base interactions energy: -899.459
where: short stacking energy: -394.878
Base-Backbone interact. energy: -3.253
local terms energy: -441.417537
where:
bonds (distance) C4'-P energy: -79.538
bonds (distance) P-C4' energy: -95.646
flat angles C4'-P-C4' energy: -93.883
flat angles P-C4'-P energy: -61.532
tors. eta vs tors. theta energy: -110.818
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: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1255.180508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.180508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.180508 (E_RNA)
where:
Base-Base interactions energy: -852.723
where: short stacking energy: -369.445
Base-Backbone interact. energy: -2.357
local terms energy: -400.100534
where:
bonds (distance) C4'-P energy: -82.383
bonds (distance) P-C4' energy: -77.158
flat angles C4'-P-C4' energy: -86.795
flat angles P-C4'-P energy: -53.302
tors. eta vs tors. theta energy: -100.462
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: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1138.663559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.663559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.663559 (E_RNA)
where:
Base-Base interactions energy: -776.566
where: short stacking energy: -360.123
Base-Backbone interact. energy: -2.185
local terms energy: -359.912405
where:
bonds (distance) C4'-P energy: -78.093
bonds (distance) P-C4' energy: -56.686
flat angles C4'-P-C4' energy: -84.710
flat angles P-C4'-P energy: -48.814
tors. eta vs tors. theta energy: -91.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -807.622949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.622949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.622949 (E_RNA)
where:
Base-Base interactions energy: -482.610
where: short stacking energy: -221.151
Base-Backbone interact. energy: -0.627
local terms energy: -324.386233
where:
bonds (distance) C4'-P energy: -81.342
bonds (distance) P-C4' energy: -67.486
flat angles C4'-P-C4' energy: -86.519
flat angles P-C4'-P energy: -51.219
tors. eta vs tors. theta energy: -37.819
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: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -764.704411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.704411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.704411 (E_RNA)
where:
Base-Base interactions energy: -483.093
where: short stacking energy: -222.469
Base-Backbone interact. energy: 2.615
local terms energy: -284.226183
where:
bonds (distance) C4'-P energy: -74.000
bonds (distance) P-C4' energy: -84.510
flat angles C4'-P-C4' energy: -66.511
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -32.200
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: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -751.880634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.880634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.880634 (E_RNA)
where:
Base-Base interactions energy: -482.011
where: short stacking energy: -220.362
Base-Backbone interact. energy: -2.846
local terms energy: -267.024097
where:
bonds (distance) C4'-P energy: -70.795
bonds (distance) P-C4' energy: -53.134
flat angles C4'-P-C4' energy: -68.942
flat angles P-C4'-P energy: -37.129
tors. eta vs tors. theta energy: -37.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1573.661065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.661065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.661065 (E_RNA)
where:
Base-Base interactions energy: -1101.638
where: short stacking energy: -467.754
Base-Backbone interact. energy: -1.447
local terms energy: -470.576406
where:
bonds (distance) C4'-P energy: -90.308
bonds (distance) P-C4' energy: -97.514
flat angles C4'-P-C4' energy: -104.389
flat angles P-C4'-P energy: -55.376
tors. eta vs tors. theta energy: -122.989
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: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1516.441411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.441411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.441411 (E_RNA)
where:
Base-Base interactions energy: -1072.928
where: short stacking energy: -451.087
Base-Backbone interact. energy: -2.016
local terms energy: -441.497329
where:
bonds (distance) C4'-P energy: -73.520
bonds (distance) P-C4' energy: -88.434
flat angles C4'-P-C4' energy: -93.144
flat angles P-C4'-P energy: -66.134
tors. eta vs tors. theta energy: -120.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1480.665390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.665390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.665390 (E_RNA)
where:
Base-Base interactions energy: -1014.199
where: short stacking energy: -461.636
Base-Backbone interact. energy: -1.769
local terms energy: -464.697488
where:
bonds (distance) C4'-P energy: -82.664
bonds (distance) P-C4' energy: -87.062
flat angles C4'-P-C4' energy: -94.809
flat angles P-C4'-P energy: -62.486
tors. eta vs tors. theta energy: -137.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1393.208261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.208261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.208261 (E_RNA)
where:
Base-Base interactions energy: -973.915
where: short stacking energy: -429.488
Base-Backbone interact. energy: -1.789
local terms energy: -417.504023
where:
bonds (distance) C4'-P energy: -78.341
bonds (distance) P-C4' energy: -75.142
flat angles C4'-P-C4' energy: -99.962
flat angles P-C4'-P energy: -55.816
tors. eta vs tors. theta energy: -108.243
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: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1310.025106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.025106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.025106 (E_RNA)
where:
Base-Base interactions energy: -887.906
where: short stacking energy: -376.431
Base-Backbone interact. energy: -0.736
local terms energy: -421.383327
where:
bonds (distance) C4'-P energy: -68.471
bonds (distance) P-C4' energy: -97.319
flat angles C4'-P-C4' energy: -89.179
flat angles P-C4'-P energy: -60.772
tors. eta vs tors. theta energy: -105.643
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: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1264.198948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.198948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.198948 (E_RNA)
where:
Base-Base interactions energy: -876.543
where: short stacking energy: -357.222
Base-Backbone interact. energy: -1.846
local terms energy: -385.809797
where:
bonds (distance) C4'-P energy: -84.981
bonds (distance) P-C4' energy: -82.032
flat angles C4'-P-C4' energy: -70.054
flat angles P-C4'-P energy: -53.389
tors. eta vs tors. theta energy: -95.354
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: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1131.020288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.020288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.020288 (E_RNA)
where:
Base-Base interactions energy: -770.195
where: short stacking energy: -327.953
Base-Backbone interact. energy: -1.140
local terms energy: -359.685103
where:
bonds (distance) C4'-P energy: -66.294
bonds (distance) P-C4' energy: -69.112
flat angles C4'-P-C4' energy: -79.478
flat angles P-C4'-P energy: -62.419
tors. eta vs tors. theta energy: -82.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -819.300007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.300007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.300007 (E_RNA)
where:
Base-Base interactions energy: -497.223
where: short stacking energy: -235.743
Base-Backbone interact. energy: -1.435
local terms energy: -320.642252
where:
bonds (distance) C4'-P energy: -83.398
bonds (distance) P-C4' energy: -71.937
flat angles C4'-P-C4' energy: -85.986
flat angles P-C4'-P energy: -43.661
tors. eta vs tors. theta energy: -35.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -779.431240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.431240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.431240 (E_RNA)
where:
Base-Base interactions energy: -473.050
where: short stacking energy: -231.645
Base-Backbone interact. energy: -2.083
local terms energy: -304.298811
where:
bonds (distance) C4'-P energy: -82.699
bonds (distance) P-C4' energy: -70.338
flat angles C4'-P-C4' energy: -73.902
flat angles P-C4'-P energy: -49.821
tors. eta vs tors. theta energy: -27.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -669.849839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.849839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.849839 (E_RNA)
where:
Base-Base interactions energy: -418.963
where: short stacking energy: -200.497
Base-Backbone interact. energy: -2.010
local terms energy: -248.876761
where:
bonds (distance) C4'-P energy: -70.141
bonds (distance) P-C4' energy: -68.118
flat angles C4'-P-C4' energy: -54.286
flat angles P-C4'-P energy: -29.825
tors. eta vs tors. theta energy: -26.506
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: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1576.304453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.304453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.304453 (E_RNA)
where:
Base-Base interactions energy: -1094.059
where: short stacking energy: -464.313
Base-Backbone interact. energy: -3.173
local terms energy: -479.071483
where:
bonds (distance) C4'-P energy: -91.343
bonds (distance) P-C4' energy: -95.642
flat angles C4'-P-C4' energy: -97.104
flat angles P-C4'-P energy: -67.036
tors. eta vs tors. theta energy: -127.947
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: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1564.366948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.366948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.366948 (E_RNA)
where:
Base-Base interactions energy: -1084.062
where: short stacking energy: -459.431
Base-Backbone interact. energy: -2.841
local terms energy: -477.463506
where:
bonds (distance) C4'-P energy: -85.871
bonds (distance) P-C4' energy: -89.576
flat angles C4'-P-C4' energy: -100.589
flat angles P-C4'-P energy: -73.527
tors. eta vs tors. theta energy: -127.900
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: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1402.912000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.912000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.912000 (E_RNA)
where:
Base-Base interactions energy: -938.673
where: short stacking energy: -396.202
Base-Backbone interact. energy: -1.400
local terms energy: -462.839160
where:
bonds (distance) C4'-P energy: -95.297
bonds (distance) P-C4' energy: -94.026
flat angles C4'-P-C4' energy: -102.838
flat angles P-C4'-P energy: -63.362
tors. eta vs tors. theta energy: -107.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1407.414011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.414011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.414011 (E_RNA)
where:
Base-Base interactions energy: -948.485
where: short stacking energy: -414.132
Base-Backbone interact. energy: -1.091
local terms energy: -457.837722
where:
bonds (distance) C4'-P energy: -85.785
bonds (distance) P-C4' energy: -91.543
flat angles C4'-P-C4' energy: -96.134
flat angles P-C4'-P energy: -59.531
tors. eta vs tors. theta energy: -124.845
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: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1288.164298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.164298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.164298 (E_RNA)
where:
Base-Base interactions energy: -883.268
where: short stacking energy: -394.161
Base-Backbone interact. energy: 2.012
local terms energy: -406.908170
where:
bonds (distance) C4'-P energy: -79.718
bonds (distance) P-C4' energy: -87.426
flat angles C4'-P-C4' energy: -83.566
flat angles P-C4'-P energy: -51.628
tors. eta vs tors. theta energy: -104.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1272.956678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.956678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.956678 (E_RNA)
where:
Base-Base interactions energy: -860.014
where: short stacking energy: -358.379
Base-Backbone interact. energy: -3.008
local terms energy: -409.934743
where:
bonds (distance) C4'-P energy: -82.303
bonds (distance) P-C4' energy: -85.740
flat angles C4'-P-C4' energy: -91.837
flat angles P-C4'-P energy: -52.926
tors. eta vs tors. theta energy: -97.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1110.892368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.892368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.892368 (E_RNA)
where:
Base-Base interactions energy: -748.489
where: short stacking energy: -342.779
Base-Backbone interact. energy: 3.306
local terms energy: -365.708795
where:
bonds (distance) C4'-P energy: -58.913
bonds (distance) P-C4' energy: -85.881
flat angles C4'-P-C4' energy: -79.206
flat angles P-C4'-P energy: -61.753
tors. eta vs tors. theta energy: -79.956
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: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -844.017900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.017900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.017900 (E_RNA)
where:
Base-Base interactions energy: -519.507
where: short stacking energy: -252.424
Base-Backbone interact. energy: -0.781
local terms energy: -323.729827
where:
bonds (distance) C4'-P energy: -73.730
bonds (distance) P-C4' energy: -83.546
flat angles C4'-P-C4' energy: -81.822
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: -52.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -804.247627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.247627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.247627 (E_RNA)
where:
Base-Base interactions energy: -501.332
where: short stacking energy: -242.124
Base-Backbone interact. energy: 2.039
local terms energy: -304.954190
where:
bonds (distance) C4'-P energy: -69.681
bonds (distance) P-C4' energy: -76.386
flat angles C4'-P-C4' energy: -66.199
flat angles P-C4'-P energy: -58.476
tors. eta vs tors. theta energy: -34.212
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: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -712.810461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.810461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.810461 (E_RNA)
where:
Base-Base interactions energy: -436.801
where: short stacking energy: -222.512
Base-Backbone interact. energy: -1.985
local terms energy: -274.024541
where:
bonds (distance) C4'-P energy: -73.807
bonds (distance) P-C4' energy: -67.738
flat angles C4'-P-C4' energy: -66.453
flat angles P-C4'-P energy: -54.544
tors. eta vs tors. theta energy: -11.483
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: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1547.442553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.442553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.442553 (E_RNA)
where:
Base-Base interactions energy: -1068.273
where: short stacking energy: -452.701
Base-Backbone interact. energy: -0.940
local terms energy: -478.228759
where:
bonds (distance) C4'-P energy: -95.449
bonds (distance) P-C4' energy: -89.698
flat angles C4'-P-C4' energy: -98.342
flat angles P-C4'-P energy: -65.060
tors. eta vs tors. theta energy: -129.680
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: 2, replica: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1547.118236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.118236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.118236 (E_RNA)
where:
Base-Base interactions energy: -1082.470
where: short stacking energy: -439.299
Base-Backbone interact. energy: -1.241
local terms energy: -463.407036
where:
bonds (distance) C4'-P energy: -85.008
bonds (distance) P-C4' energy: -88.354
flat angles C4'-P-C4' energy: -104.806
flat angles P-C4'-P energy: -65.528
tors. eta vs tors. theta energy: -119.711
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: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1413.503100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.503100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.503100 (E_RNA)
where:
Base-Base interactions energy: -967.647
where: short stacking energy: -425.869
Base-Backbone interact. energy: -1.402
local terms energy: -444.455050
where:
bonds (distance) C4'-P energy: -80.439
bonds (distance) P-C4' energy: -89.081
flat angles C4'-P-C4' energy: -96.940
flat angles P-C4'-P energy: -55.896
tors. eta vs tors. theta energy: -122.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1371.252969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.252969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.252969 (E_RNA)
where:
Base-Base interactions energy: -931.263
where: short stacking energy: -393.609
Base-Backbone interact. energy: -2.152
local terms energy: -437.838152
where:
bonds (distance) C4'-P energy: -84.822
bonds (distance) P-C4' energy: -82.305
flat angles C4'-P-C4' energy: -106.136
flat angles P-C4'-P energy: -57.645
tors. eta vs tors. theta energy: -106.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1333.682532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.682532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.682532 (E_RNA)
where:
Base-Base interactions energy: -893.621
where: short stacking energy: -415.806
Base-Backbone interact. energy: -1.417
local terms energy: -438.644147
where:
bonds (distance) C4'-P energy: -85.356
bonds (distance) P-C4' energy: -89.299
flat angles C4'-P-C4' energy: -81.044
flat angles P-C4'-P energy: -62.958
tors. eta vs tors. theta energy: -119.987
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: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1277.279599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.279599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.279599 (E_RNA)
where:
Base-Base interactions energy: -866.914
where: short stacking energy: -373.008
Base-Backbone interact. energy: -2.479
local terms energy: -407.887114
where:
bonds (distance) C4'-P energy: -86.886
bonds (distance) P-C4' energy: -73.352
flat angles C4'-P-C4' energy: -94.572
flat angles P-C4'-P energy: -50.643
tors. eta vs tors. theta energy: -102.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1129.264743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.264743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.264743 (E_RNA)
where:
Base-Base interactions energy: -775.688
where: short stacking energy: -331.813
Base-Backbone interact. energy: -2.475
local terms energy: -351.101607
where:
bonds (distance) C4'-P energy: -73.604
bonds (distance) P-C4' energy: -72.649
flat angles C4'-P-C4' energy: -81.575
flat angles P-C4'-P energy: -51.749
tors. eta vs tors. theta energy: -71.525
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: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -809.068889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.068889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.068889 (E_RNA)
where:
Base-Base interactions energy: -499.386
where: short stacking energy: -251.645
Base-Backbone interact. energy: -0.233
local terms energy: -309.450158
where:
bonds (distance) C4'-P energy: -72.867
bonds (distance) P-C4' energy: -84.275
flat angles C4'-P-C4' energy: -75.896
flat angles P-C4'-P energy: -38.362
tors. eta vs tors. theta energy: -38.049
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: 249
Temperature: 1.300000
Total energy: -761.263051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.263051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.263051 (E_RNA)
where:
Base-Base interactions energy: -484.854
where: short stacking energy: -224.348
Base-Backbone interact. energy: -2.612
local terms energy: -273.797318
where:
bonds (distance) C4'-P energy: -82.071
bonds (distance) P-C4' energy: -71.553
flat angles C4'-P-C4' energy: -60.516
flat angles P-C4'-P energy: -37.644
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -793.697236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.697236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.697236 (E_RNA)
where:
Base-Base interactions energy: -492.120
where: short stacking energy: -231.087
Base-Backbone interact. energy: -2.086
local terms energy: -299.491017
where:
bonds (distance) C4'-P energy: -71.495
bonds (distance) P-C4' energy: -81.322
flat angles C4'-P-C4' energy: -59.105
flat angles P-C4'-P energy: -34.349
tors. eta vs tors. theta energy: -53.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1558.728692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.728692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.728692 (E_RNA)
where:
Base-Base interactions energy: -1085.376
where: short stacking energy: -466.169
Base-Backbone interact. energy: -1.382
local terms energy: -471.970916
where:
bonds (distance) C4'-P energy: -90.556
bonds (distance) P-C4' energy: -93.307
flat angles C4'-P-C4' energy: -96.652
flat angles P-C4'-P energy: -64.980
tors. eta vs tors. theta energy: -126.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1541.585896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.585896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.585896 (E_RNA)
where:
Base-Base interactions energy: -1070.407
where: short stacking energy: -438.344
Base-Backbone interact. energy: -1.981
local terms energy: -469.198435
where:
bonds (distance) C4'-P energy: -91.251
bonds (distance) P-C4' energy: -92.158
flat angles C4'-P-C4' energy: -106.465
flat angles P-C4'-P energy: -67.090
tors. eta vs tors. theta energy: -112.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1411.863138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.863138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.863138 (E_RNA)
where:
Base-Base interactions energy: -949.992
where: short stacking energy: -412.483
Base-Backbone interact. energy: -0.144
local terms energy: -461.727156
where:
bonds (distance) C4'-P energy: -99.303
bonds (distance) P-C4' energy: -82.691
flat angles C4'-P-C4' energy: -95.776
flat angles P-C4'-P energy: -67.219
tors. eta vs tors. theta energy: -116.738
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: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1415.315483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.315483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.315483 (E_RNA)
where:
Base-Base interactions energy: -967.163
where: short stacking energy: -417.399
Base-Backbone interact. energy: -0.961
local terms energy: -447.191795
where:
bonds (distance) C4'-P energy: -87.048
bonds (distance) P-C4' energy: -83.192
flat angles C4'-P-C4' energy: -97.606
flat angles P-C4'-P energy: -60.864
tors. eta vs tors. theta energy: -118.483
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: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1311.538144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.538144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.538144 (E_RNA)
where:
Base-Base interactions energy: -888.993
where: short stacking energy: -393.133
Base-Backbone interact. energy: -0.938
local terms energy: -421.607569
where:
bonds (distance) C4'-P energy: -82.406
bonds (distance) P-C4' energy: -70.993
flat angles C4'-P-C4' energy: -92.129
flat angles P-C4'-P energy: -60.669
tors. eta vs tors. theta energy: -115.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1237.097589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.097589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.097589 (E_RNA)
where:
Base-Base interactions energy: -834.492
where: short stacking energy: -366.103
Base-Backbone interact. energy: -0.043
local terms energy: -402.562658
where:
bonds (distance) C4'-P energy: -87.266
bonds (distance) P-C4' energy: -61.487
flat angles C4'-P-C4' energy: -94.749
flat angles P-C4'-P energy: -58.477
tors. eta vs tors. theta energy: -100.583
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: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1116.543716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.543716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.543716 (E_RNA)
where:
Base-Base interactions energy: -751.727
where: short stacking energy: -348.426
Base-Backbone interact. energy: 1.938
local terms energy: -366.754554
where:
bonds (distance) C4'-P energy: -76.737
bonds (distance) P-C4' energy: -76.666
flat angles C4'-P-C4' energy: -86.498
flat angles P-C4'-P energy: -50.315
tors. eta vs tors. theta energy: -76.538
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: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -838.790466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.790466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.790466 (E_RNA)
where:
Base-Base interactions energy: -519.257
where: short stacking energy: -226.983
Base-Backbone interact. energy: -2.563
local terms energy: -316.970341
where:
bonds (distance) C4'-P energy: -73.624
bonds (distance) P-C4' energy: -80.001
flat angles C4'-P-C4' energy: -79.756
flat angles P-C4'-P energy: -49.241
tors. eta vs tors. theta energy: -34.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -768.384704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.384704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.384704 (E_RNA)
where:
Base-Base interactions energy: -456.017
where: short stacking energy: -229.568
Base-Backbone interact. energy: 3.221
local terms energy: -315.588642
where:
bonds (distance) C4'-P energy: -79.296
bonds (distance) P-C4' energy: -89.623
flat angles C4'-P-C4' energy: -75.138
flat angles P-C4'-P energy: -42.782
tors. eta vs tors. theta energy: -28.750
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: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -699.922602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.922602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.922602 (E_RNA)
where:
Base-Base interactions energy: -427.194
where: short stacking energy: -185.099
Base-Backbone interact. energy: 2.056
local terms energy: -274.784952
where:
bonds (distance) C4'-P energy: -64.024
bonds (distance) P-C4' energy: -80.163
flat angles C4'-P-C4' energy: -68.773
flat angles P-C4'-P energy: -46.059
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1565.700964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.700964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.700964 (E_RNA)
where:
Base-Base interactions energy: -1087.155
where: short stacking energy: -464.049
Base-Backbone interact. energy: -3.436
local terms energy: -475.110651
where:
bonds (distance) C4'-P energy: -87.954
bonds (distance) P-C4' energy: -88.172
flat angles C4'-P-C4' energy: -99.392
flat angles P-C4'-P energy: -73.416
tors. eta vs tors. theta energy: -126.177
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: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1494.970317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.970317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.970317 (E_RNA)
where:
Base-Base interactions energy: -1034.986
where: short stacking energy: -417.779
Base-Backbone interact. energy: 0.376
local terms energy: -460.360332
where:
bonds (distance) C4'-P energy: -90.472
bonds (distance) P-C4' energy: -96.579
flat angles C4'-P-C4' energy: -91.514
flat angles P-C4'-P energy: -69.354
tors. eta vs tors. theta energy: -112.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1407.250949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.250949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.250949 (E_RNA)
where:
Base-Base interactions energy: -976.921
where: short stacking energy: -441.753
Base-Backbone interact. energy: -2.092
local terms energy: -428.238482
where:
bonds (distance) C4'-P energy: -66.034
bonds (distance) P-C4' energy: -83.195
flat angles C4'-P-C4' energy: -95.921
flat angles P-C4'-P energy: -63.754
tors. eta vs tors. theta energy: -119.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1434.253079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.253079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.253079 (E_RNA)
where:
Base-Base interactions energy: -972.581
where: short stacking energy: -398.971
Base-Backbone interact. energy: -2.489
local terms energy: -459.182846
where:
bonds (distance) C4'-P energy: -99.865
bonds (distance) P-C4' energy: -82.609
flat angles C4'-P-C4' energy: -102.050
flat angles P-C4'-P energy: -60.674
tors. eta vs tors. theta energy: -113.985
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: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1334.272766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.272766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.272766 (E_RNA)
where:
Base-Base interactions energy: -916.132
where: short stacking energy: -402.414
Base-Backbone interact. energy: -1.453
local terms energy: -416.688281
where:
bonds (distance) C4'-P energy: -68.977
bonds (distance) P-C4' energy: -77.435
flat angles C4'-P-C4' energy: -93.232
flat angles P-C4'-P energy: -62.331
tors. eta vs tors. theta energy: -114.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1219.934219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.934219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.934219 (E_RNA)
where:
Base-Base interactions energy: -820.968
where: short stacking energy: -367.646
Base-Backbone interact. energy: 1.856
local terms energy: -400.821461
where:
bonds (distance) C4'-P energy: -69.981
bonds (distance) P-C4' energy: -86.397
flat angles C4'-P-C4' energy: -95.721
flat angles P-C4'-P energy: -50.160
tors. eta vs tors. theta energy: -98.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1036.933040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.933040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.933040 (E_RNA)
where:
Base-Base interactions energy: -682.480
where: short stacking energy: -304.153
Base-Backbone interact. energy: 0.959
local terms energy: -355.412038
where:
bonds (distance) C4'-P energy: -77.901
bonds (distance) P-C4' energy: -80.862
flat angles C4'-P-C4' energy: -71.414
flat angles P-C4'-P energy: -61.959
tors. eta vs tors. theta energy: -63.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -787.670816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.670816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.670816 (E_RNA)
where:
Base-Base interactions energy: -459.345
where: short stacking energy: -238.689
Base-Backbone interact. energy: 4.499
local terms energy: -332.824738
where:
bonds (distance) C4'-P energy: -74.136
bonds (distance) P-C4' energy: -78.290
flat angles C4'-P-C4' energy: -81.179
flat angles P-C4'-P energy: -45.423
tors. eta vs tors. theta energy: -53.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -759.066752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.066752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.066752 (E_RNA)
where:
Base-Base interactions energy: -439.153
where: short stacking energy: -197.680
Base-Backbone interact. energy: 0.873
local terms energy: -320.786943
where:
bonds (distance) C4'-P energy: -71.707
bonds (distance) P-C4' energy: -72.075
flat angles C4'-P-C4' energy: -87.253
flat angles P-C4'-P energy: -50.047
tors. eta vs tors. theta energy: -39.705
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: 10, replica: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -687.727077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.727077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.727077 (E_RNA)
where:
Base-Base interactions energy: -402.392
where: short stacking energy: -182.250
Base-Backbone interact. energy: 0.214
local terms energy: -285.548825
where:
bonds (distance) C4'-P energy: -65.786
bonds (distance) P-C4' energy: -70.080
flat angles C4'-P-C4' energy: -82.246
flat angles P-C4'-P energy: -36.911
tors. eta vs tors. theta energy: -30.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1572.105613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.105613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.105613 (E_RNA)
where:
Base-Base interactions energy: -1098.072
where: short stacking energy: -465.298
Base-Backbone interact. energy: -2.436
local terms energy: -471.597706
where:
bonds (distance) C4'-P energy: -91.146
bonds (distance) P-C4' energy: -85.389
flat angles C4'-P-C4' energy: -100.752
flat angles P-C4'-P energy: -63.811
tors. eta vs tors. theta energy: -130.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1503.689170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.689170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.689170 (E_RNA)
where:
Base-Base interactions energy: -1033.924
where: short stacking energy: -435.078
Base-Backbone interact. energy: -2.352
local terms energy: -467.413796
where:
bonds (distance) C4'-P energy: -89.606
bonds (distance) P-C4' energy: -89.865
flat angles C4'-P-C4' energy: -102.526
flat angles P-C4'-P energy: -62.438
tors. eta vs tors. theta energy: -122.979
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: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1463.646610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.646610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.646610 (E_RNA)
where:
Base-Base interactions energy: -995.198
where: short stacking energy: -436.623
Base-Backbone interact. energy: -4.081
local terms energy: -464.368412
where:
bonds (distance) C4'-P energy: -86.585
bonds (distance) P-C4' energy: -90.569
flat angles C4'-P-C4' energy: -106.896
flat angles P-C4'-P energy: -59.612
tors. eta vs tors. theta energy: -120.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1344.824101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.824101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.824101 (E_RNA)
where:
Base-Base interactions energy: -909.918
where: short stacking energy: -385.939
Base-Backbone interact. energy: -0.873
local terms energy: -434.033386
where:
bonds (distance) C4'-P energy: -84.298
bonds (distance) P-C4' energy: -90.545
flat angles C4'-P-C4' energy: -86.804
flat angles P-C4'-P energy: -64.835
tors. eta vs tors. theta energy: -107.552
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: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1330.156093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.156093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.156093 (E_RNA)
where:
Base-Base interactions energy: -904.316
where: short stacking energy: -413.469
Base-Backbone interact. energy: -0.356
local terms energy: -425.484352
where:
bonds (distance) C4'-P energy: -70.206
bonds (distance) P-C4' energy: -87.733
flat angles C4'-P-C4' energy: -93.995
flat angles P-C4'-P energy: -63.008
tors. eta vs tors. theta energy: -110.542
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: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1269.320516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.320516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.320516 (E_RNA)
where:
Base-Base interactions energy: -852.122
where: short stacking energy: -358.791
Base-Backbone interact. energy: -1.264
local terms energy: -415.934431
where:
bonds (distance) C4'-P energy: -92.185
bonds (distance) P-C4' energy: -95.771
flat angles C4'-P-C4' energy: -89.223
flat angles P-C4'-P energy: -49.686
tors. eta vs tors. theta energy: -89.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1054.796383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.796383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.796383 (E_RNA)
where:
Base-Base interactions energy: -699.021
where: short stacking energy: -311.780
Base-Backbone interact. energy: -1.230
local terms energy: -354.545568
where:
bonds (distance) C4'-P energy: -62.978
bonds (distance) P-C4' energy: -81.827
flat angles C4'-P-C4' energy: -90.642
flat angles P-C4'-P energy: -51.474
tors. eta vs tors. theta energy: -67.623
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: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -732.822455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.822455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.822455 (E_RNA)
where:
Base-Base interactions energy: -439.242
where: short stacking energy: -214.492
Base-Backbone interact. energy: 1.271
local terms energy: -294.851163
where:
bonds (distance) C4'-P energy: -76.279
bonds (distance) P-C4' energy: -87.274
flat angles C4'-P-C4' energy: -74.779
flat angles P-C4'-P energy: -37.018
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -720.272320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.272320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.272320 (E_RNA)
where:
Base-Base interactions energy: -446.242
where: short stacking energy: -196.147
Base-Backbone interact. energy: 0.394
local terms energy: -274.423877
where:
bonds (distance) C4'-P energy: -55.185
bonds (distance) P-C4' energy: -67.056
flat angles C4'-P-C4' energy: -95.043
flat angles P-C4'-P energy: -40.338
tors. eta vs tors. theta energy: -16.802
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: 252
Temperature: 1.350000
Total energy: -689.716596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.716596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.716596 (E_RNA)
where:
Base-Base interactions energy: -400.629
where: short stacking energy: -211.202
Base-Backbone interact. energy: -1.590
local terms energy: -287.497861
where:
bonds (distance) C4'-P energy: -85.191
bonds (distance) P-C4' energy: -66.807
flat angles C4'-P-C4' energy: -75.034
flat angles P-C4'-P energy: -40.893
tors. eta vs tors. theta energy: -19.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1552.726562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.726562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.726562 (E_RNA)
where:
Base-Base interactions energy: -1092.543
where: short stacking energy: -450.068
Base-Backbone interact. energy: -0.797
local terms energy: -459.386704
where:
bonds (distance) C4'-P energy: -90.695
bonds (distance) P-C4' energy: -87.083
flat angles C4'-P-C4' energy: -93.123
flat angles P-C4'-P energy: -67.555
tors. eta vs tors. theta energy: -120.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1490.797799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.797799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.797799 (E_RNA)
where:
Base-Base interactions energy: -1028.894
where: short stacking energy: -445.066
Base-Backbone interact. energy: -3.731
local terms energy: -458.173043
where:
bonds (distance) C4'-P energy: -80.608
bonds (distance) P-C4' energy: -83.296
flat angles C4'-P-C4' energy: -104.180
flat angles P-C4'-P energy: -61.678
tors. eta vs tors. theta energy: -128.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1472.605211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.605211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.605211 (E_RNA)
where:
Base-Base interactions energy: -1025.490
where: short stacking energy: -433.488
Base-Backbone interact. energy: -3.472
local terms energy: -443.643544
where:
bonds (distance) C4'-P energy: -92.814
bonds (distance) P-C4' energy: -79.495
flat angles C4'-P-C4' energy: -108.492
flat angles P-C4'-P energy: -51.480
tors. eta vs tors. theta energy: -111.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1351.608340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.608340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.608340 (E_RNA)
where:
Base-Base interactions energy: -917.253
where: short stacking energy: -386.935
Base-Backbone interact. energy: -3.094
local terms energy: -431.261109
where:
bonds (distance) C4'-P energy: -79.054
bonds (distance) P-C4' energy: -91.315
flat angles C4'-P-C4' energy: -85.200
flat angles P-C4'-P energy: -63.658
tors. eta vs tors. theta energy: -112.034
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: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1337.947849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.947849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.947849 (E_RNA)
where:
Base-Base interactions energy: -900.243
where: short stacking energy: -408.454
Base-Backbone interact. energy: 1.623
local terms energy: -439.327309
where:
bonds (distance) C4'-P energy: -93.656
bonds (distance) P-C4' energy: -80.142
flat angles C4'-P-C4' energy: -89.417
flat angles P-C4'-P energy: -63.511
tors. eta vs tors. theta energy: -112.602
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: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1296.855615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.855615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.855615 (E_RNA)
where:
Base-Base interactions energy: -888.606
where: short stacking energy: -361.157
Base-Backbone interact. energy: -3.885
local terms energy: -404.364078
where:
bonds (distance) C4'-P energy: -87.451
bonds (distance) P-C4' energy: -77.121
flat angles C4'-P-C4' energy: -90.179
flat angles P-C4'-P energy: -50.323
tors. eta vs tors. theta energy: -99.289
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: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1082.164982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.164982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.164982 (E_RNA)
where:
Base-Base interactions energy: -730.354
where: short stacking energy: -315.175
Base-Backbone interact. energy: 0.984
local terms energy: -352.794986
where:
bonds (distance) C4'-P energy: -77.105
bonds (distance) P-C4' energy: -70.528
flat angles C4'-P-C4' energy: -80.838
flat angles P-C4'-P energy: -57.266
tors. eta vs tors. theta energy: -67.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -795.659488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.659488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.659488 (E_RNA)
where:
Base-Base interactions energy: -494.518
where: short stacking energy: -236.214
Base-Backbone interact. energy: -0.572
local terms energy: -300.569218
where:
bonds (distance) C4'-P energy: -75.911
bonds (distance) P-C4' energy: -73.189
flat angles C4'-P-C4' energy: -63.698
flat angles P-C4'-P energy: -53.816
tors. eta vs tors. theta energy: -33.955
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: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -730.851080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.851080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.851080 (E_RNA)
where:
Base-Base interactions energy: -407.252
where: short stacking energy: -209.765
Base-Backbone interact. energy: -3.902
local terms energy: -319.697031
where:
bonds (distance) C4'-P energy: -89.303
bonds (distance) P-C4' energy: -76.968
flat angles C4'-P-C4' energy: -79.648
flat angles P-C4'-P energy: -44.323
tors. eta vs tors. theta energy: -29.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -723.139375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.139375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.139375 (E_RNA)
where:
Base-Base interactions energy: -426.932
where: short stacking energy: -213.648
Base-Backbone interact. energy: -0.206
local terms energy: -296.001420
where:
bonds (distance) C4'-P energy: -76.186
bonds (distance) P-C4' energy: -68.778
flat angles C4'-P-C4' energy: -79.273
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1558.451984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.451984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.451984 (E_RNA)
where:
Base-Base interactions energy: -1086.968
where: short stacking energy: -460.077
Base-Backbone interact. energy: -0.208
local terms energy: -471.275238
where:
bonds (distance) C4'-P energy: -87.892
bonds (distance) P-C4' energy: -97.948
flat angles C4'-P-C4' energy: -94.988
flat angles P-C4'-P energy: -64.113
tors. eta vs tors. theta energy: -126.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1490.653189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.653189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.653189 (E_RNA)
where:
Base-Base interactions energy: -1042.542
where: short stacking energy: -421.518
Base-Backbone interact. energy: 0.360
local terms energy: -448.471107
where:
bonds (distance) C4'-P energy: -74.443
bonds (distance) P-C4' energy: -90.671
flat angles C4'-P-C4' energy: -100.618
flat angles P-C4'-P energy: -64.357
tors. eta vs tors. theta energy: -118.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1480.897973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.897973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.897973 (E_RNA)
where:
Base-Base interactions energy: -1028.157
where: short stacking energy: -420.705
Base-Backbone interact. energy: -2.799
local terms energy: -449.941829
where:
bonds (distance) C4'-P energy: -83.753
bonds (distance) P-C4' energy: -93.532
flat angles C4'-P-C4' energy: -95.953
flat angles P-C4'-P energy: -66.561
tors. eta vs tors. theta energy: -110.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1345.781831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.781831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.781831 (E_RNA)
where:
Base-Base interactions energy: -925.158
where: short stacking energy: -375.037
Base-Backbone interact. energy: -1.656
local terms energy: -418.968652
where:
bonds (distance) C4'-P energy: -84.567
bonds (distance) P-C4' energy: -77.572
flat angles C4'-P-C4' energy: -85.069
flat angles P-C4'-P energy: -63.982
tors. eta vs tors. theta energy: -107.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1265.681460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.681460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.681460 (E_RNA)
where:
Base-Base interactions energy: -854.903
where: short stacking energy: -352.237
Base-Backbone interact. energy: 1.937
local terms energy: -412.715243
where:
bonds (distance) C4'-P energy: -98.113
bonds (distance) P-C4' energy: -89.678
flat angles C4'-P-C4' energy: -83.550
flat angles P-C4'-P energy: -57.080
tors. eta vs tors. theta energy: -84.295
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: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1312.267838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.267838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.267838 (E_RNA)
where:
Base-Base interactions energy: -902.400
where: short stacking energy: -403.598
Base-Backbone interact. energy: -0.368
local terms energy: -409.499228
where:
bonds (distance) C4'-P energy: -82.753
bonds (distance) P-C4' energy: -70.790
flat angles C4'-P-C4' energy: -94.574
flat angles P-C4'-P energy: -56.300
tors. eta vs tors. theta energy: -105.082
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: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1136.739049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.739049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.739049 (E_RNA)
where:
Base-Base interactions energy: -755.588
where: short stacking energy: -321.180
Base-Backbone interact. energy: -0.825
local terms energy: -380.326579
where:
bonds (distance) C4'-P energy: -71.977
bonds (distance) P-C4' energy: -73.419
flat angles C4'-P-C4' energy: -91.877
flat angles P-C4'-P energy: -58.326
tors. eta vs tors. theta energy: -84.727
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: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -812.308544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.308544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.308544 (E_RNA)
where:
Base-Base interactions energy: -504.199
where: short stacking energy: -231.368
Base-Backbone interact. energy: 1.451
local terms energy: -309.559761
where:
bonds (distance) C4'-P energy: -60.965
bonds (distance) P-C4' energy: -86.968
flat angles C4'-P-C4' energy: -79.521
flat angles P-C4'-P energy: -33.889
tors. eta vs tors. theta energy: -48.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -716.744470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.744470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.744470 (E_RNA)
where:
Base-Base interactions energy: -408.736
where: short stacking energy: -207.476
Base-Backbone interact. energy: 0.130
local terms energy: -308.138678
where:
bonds (distance) C4'-P energy: -79.648
bonds (distance) P-C4' energy: -88.726
flat angles C4'-P-C4' energy: -78.271
flat angles P-C4'-P energy: -34.961
tors. eta vs tors. theta energy: -26.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -656.117895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.117895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.117895 (E_RNA)
where:
Base-Base interactions energy: -387.364
where: short stacking energy: -178.695
Base-Backbone interact. energy: -2.856
local terms energy: -265.898050
where:
bonds (distance) C4'-P energy: -69.717
bonds (distance) P-C4' energy: -73.665
flat angles C4'-P-C4' energy: -66.251
flat angles P-C4'-P energy: -48.403
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: 1, replica: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1554.797402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.797402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.797402 (E_RNA)
where:
Base-Base interactions energy: -1053.761
where: short stacking energy: -447.906
Base-Backbone interact. energy: -2.591
local terms energy: -498.445862
where:
bonds (distance) C4'-P energy: -94.632
bonds (distance) P-C4' energy: -95.562
flat angles C4'-P-C4' energy: -104.652
flat angles P-C4'-P energy: -72.735
tors. eta vs tors. theta energy: -130.865
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: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1504.405496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.405496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.405496 (E_RNA)
where:
Base-Base interactions energy: -1052.853
where: short stacking energy: -437.831
Base-Backbone interact. energy: -1.228
local terms energy: -450.324307
where:
bonds (distance) C4'-P energy: -87.157
bonds (distance) P-C4' energy: -80.775
flat angles C4'-P-C4' energy: -97.757
flat angles P-C4'-P energy: -70.137
tors. eta vs tors. theta energy: -114.497
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: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1480.937072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.937072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.937072 (E_RNA)
where:
Base-Base interactions energy: -1023.922
where: short stacking energy: -441.216
Base-Backbone interact. energy: -2.828
local terms energy: -454.187078
where:
bonds (distance) C4'-P energy: -80.056
bonds (distance) P-C4' energy: -86.666
flat angles C4'-P-C4' energy: -96.437
flat angles P-C4'-P energy: -63.108
tors. eta vs tors. theta energy: -127.920
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: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1376.595591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.595591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.595591 (E_RNA)
where:
Base-Base interactions energy: -926.331
where: short stacking energy: -398.925
Base-Backbone interact. energy: -0.421
local terms energy: -449.844333
where:
bonds (distance) C4'-P energy: -89.471
bonds (distance) P-C4' energy: -86.562
flat angles C4'-P-C4' energy: -92.051
flat angles P-C4'-P energy: -65.495
tors. eta vs tors. theta energy: -116.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1269.878069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.878069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.878069 (E_RNA)
where:
Base-Base interactions energy: -853.283
where: short stacking energy: -373.871
Base-Backbone interact. energy: -3.032
local terms energy: -413.562510
where:
bonds (distance) C4'-P energy: -73.694
bonds (distance) P-C4' energy: -86.006
flat angles C4'-P-C4' energy: -90.494
flat angles P-C4'-P energy: -59.020
tors. eta vs tors. theta energy: -104.348
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: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1270.702955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.702955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.702955 (E_RNA)
where:
Base-Base interactions energy: -871.989
where: short stacking energy: -363.574
Base-Backbone interact. energy: -2.075
local terms energy: -396.638813
where:
bonds (distance) C4'-P energy: -82.145
bonds (distance) P-C4' energy: -61.716
flat angles C4'-P-C4' energy: -92.992
flat angles P-C4'-P energy: -50.526
tors. eta vs tors. theta energy: -109.260
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: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1160.358172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.358172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.358172 (E_RNA)
where:
Base-Base interactions energy: -770.311
where: short stacking energy: -336.129
Base-Backbone interact. energy: -1.664
local terms energy: -388.383877
where:
bonds (distance) C4'-P energy: -86.794
bonds (distance) P-C4' energy: -82.429
flat angles C4'-P-C4' energy: -88.916
flat angles P-C4'-P energy: -48.272
tors. eta vs tors. theta energy: -81.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -813.683391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.683391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.683391 (E_RNA)
where:
Base-Base interactions energy: -508.440
where: short stacking energy: -247.631
Base-Backbone interact. energy: -0.171
local terms energy: -305.072688
where:
bonds (distance) C4'-P energy: -89.244
bonds (distance) P-C4' energy: -73.388
flat angles C4'-P-C4' energy: -76.519
flat angles P-C4'-P energy: -37.943
tors. eta vs tors. theta energy: -27.979
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: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -711.766139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.766139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.766139 (E_RNA)
where:
Base-Base interactions energy: -431.201
where: short stacking energy: -217.945
Base-Backbone interact. energy: 0.500
local terms energy: -281.064406
where:
bonds (distance) C4'-P energy: -71.296
bonds (distance) P-C4' energy: -77.683
flat angles C4'-P-C4' energy: -72.931
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -20.306
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: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -712.416473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.416473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.416473 (E_RNA)
where:
Base-Base interactions energy: -443.300
where: short stacking energy: -212.080
Base-Backbone interact. energy: 0.382
local terms energy: -269.498506
where:
bonds (distance) C4'-P energy: -74.056
bonds (distance) P-C4' energy: -64.140
flat angles C4'-P-C4' energy: -70.154
flat angles P-C4'-P energy: -49.280
tors. eta vs tors. theta energy: -11.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1581.924829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.924829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.924829 (E_RNA)
where:
Base-Base interactions energy: -1109.004
where: short stacking energy: -473.986
Base-Backbone interact. energy: -0.305
local terms energy: -472.616184
where:
bonds (distance) C4'-P energy: -87.107
bonds (distance) P-C4' energy: -97.193
flat angles C4'-P-C4' energy: -95.698
flat angles P-C4'-P energy: -65.982
tors. eta vs tors. theta energy: -126.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1519.403307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.403307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.403307 (E_RNA)
where:
Base-Base interactions energy: -1047.117
where: short stacking energy: -446.392
Base-Backbone interact. energy: 0.786
local terms energy: -473.071859
where:
bonds (distance) C4'-P energy: -95.781
bonds (distance) P-C4' energy: -79.629
flat angles C4'-P-C4' energy: -101.011
flat angles P-C4'-P energy: -74.645
tors. eta vs tors. theta energy: -122.006
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: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1464.932604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.932604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.932604 (E_RNA)
where:
Base-Base interactions energy: -1005.008
where: short stacking energy: -448.258
Base-Backbone interact. energy: -1.244
local terms energy: -458.681427
where:
bonds (distance) C4'-P energy: -89.378
bonds (distance) P-C4' energy: -80.636
flat angles C4'-P-C4' energy: -97.548
flat angles P-C4'-P energy: -62.387
tors. eta vs tors. theta energy: -128.732
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: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1368.674919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.674919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.674919 (E_RNA)
where:
Base-Base interactions energy: -935.534
where: short stacking energy: -404.747
Base-Backbone interact. energy: -2.073
local terms energy: -431.068637
where:
bonds (distance) C4'-P energy: -75.191
bonds (distance) P-C4' energy: -84.668
flat angles C4'-P-C4' energy: -93.437
flat angles P-C4'-P energy: -66.718
tors. eta vs tors. theta energy: -111.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1324.386338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.386338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.386338 (E_RNA)
where:
Base-Base interactions energy: -891.044
where: short stacking energy: -424.172
Base-Backbone interact. energy: -0.852
local terms energy: -432.490050
where:
bonds (distance) C4'-P energy: -77.504
bonds (distance) P-C4' energy: -91.841
flat angles C4'-P-C4' energy: -91.616
flat angles P-C4'-P energy: -62.736
tors. eta vs tors. theta energy: -108.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1258.651793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.651793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.651793 (E_RNA)
where:
Base-Base interactions energy: -846.904
where: short stacking energy: -363.038
Base-Backbone interact. energy: -0.222
local terms energy: -411.525787
where:
bonds (distance) C4'-P energy: -92.792
bonds (distance) P-C4' energy: -86.227
flat angles C4'-P-C4' energy: -98.692
flat angles P-C4'-P energy: -48.885
tors. eta vs tors. theta energy: -84.929
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: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1099.933765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.933765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.933765 (E_RNA)
where:
Base-Base interactions energy: -711.853
where: short stacking energy: -295.413
Base-Backbone interact. energy: 1.306
local terms energy: -389.387046
where:
bonds (distance) C4'-P energy: -78.125
bonds (distance) P-C4' energy: -89.765
flat angles C4'-P-C4' energy: -92.592
flat angles P-C4'-P energy: -60.731
tors. eta vs tors. theta energy: -68.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -868.226276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.226276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.226276 (E_RNA)
where:
Base-Base interactions energy: -515.636
where: short stacking energy: -250.066
Base-Backbone interact. energy: 1.634
local terms energy: -354.224203
where:
bonds (distance) C4'-P energy: -68.764
bonds (distance) P-C4' energy: -84.012
flat angles C4'-P-C4' energy: -84.935
flat angles P-C4'-P energy: -64.794
tors. eta vs tors. theta energy: -51.719
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: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -726.660179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.660179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.660179 (E_RNA)
where:
Base-Base interactions energy: -422.997
where: short stacking energy: -215.485
Base-Backbone interact. energy: 0.796
local terms energy: -304.459830
where:
bonds (distance) C4'-P energy: -74.293
bonds (distance) P-C4' energy: -80.988
flat angles C4'-P-C4' energy: -69.808
flat angles P-C4'-P energy: -46.785
tors. eta vs tors. theta energy: -32.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -680.836142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.836142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.836142 (E_RNA)
where:
Base-Base interactions energy: -408.026
where: short stacking energy: -207.366
Base-Backbone interact. energy: 4.967
local terms energy: -277.777275
where:
bonds (distance) C4'-P energy: -64.688
bonds (distance) P-C4' energy: -76.084
flat angles C4'-P-C4' energy: -67.383
flat angles P-C4'-P energy: -50.404
tors. eta vs tors. theta energy: -19.218
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: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1560.486077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.486077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.486077 (E_RNA)
where:
Base-Base interactions energy: -1112.430
where: short stacking energy: -450.819
Base-Backbone interact. energy: 1.387
local terms energy: -449.443274
where:
bonds (distance) C4'-P energy: -84.421
bonds (distance) P-C4' energy: -89.919
flat angles C4'-P-C4' energy: -99.329
flat angles P-C4'-P energy: -53.306
tors. eta vs tors. theta energy: -122.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1500.798132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.798132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.798132 (E_RNA)
where:
Base-Base interactions energy: -1036.466
where: short stacking energy: -427.940
Base-Backbone interact. energy: -1.622
local terms energy: -462.710719
where:
bonds (distance) C4'-P energy: -98.705
bonds (distance) P-C4' energy: -82.116
flat angles C4'-P-C4' energy: -94.321
flat angles P-C4'-P energy: -70.612
tors. eta vs tors. theta energy: -116.958
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: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1455.948130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.948130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.948130 (E_RNA)
where:
Base-Base interactions energy: -991.221
where: short stacking energy: -440.683
Base-Backbone interact. energy: 1.140
local terms energy: -465.867444
where:
bonds (distance) C4'-P energy: -89.309
bonds (distance) P-C4' energy: -96.444
flat angles C4'-P-C4' energy: -96.138
flat angles P-C4'-P energy: -57.046
tors. eta vs tors. theta energy: -126.931
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: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1366.121797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.121797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.121797 (E_RNA)
where:
Base-Base interactions energy: -924.954
where: short stacking energy: -421.211
Base-Backbone interact. energy: -3.522
local terms energy: -437.646431
where:
bonds (distance) C4'-P energy: -70.404
bonds (distance) P-C4' energy: -92.191
flat angles C4'-P-C4' energy: -98.028
flat angles P-C4'-P energy: -67.075
tors. eta vs tors. theta energy: -109.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1338.146994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.146994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.146994 (E_RNA)
where:
Base-Base interactions energy: -897.666
where: short stacking energy: -404.966
Base-Backbone interact. energy: -4.047
local terms energy: -436.434143
where:
bonds (distance) C4'-P energy: -97.678
bonds (distance) P-C4' energy: -73.361
flat angles C4'-P-C4' energy: -96.308
flat angles P-C4'-P energy: -55.940
tors. eta vs tors. theta energy: -113.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1262.446914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.446914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.446914 (E_RNA)
where:
Base-Base interactions energy: -850.917
where: short stacking energy: -378.919
Base-Backbone interact. energy: -4.624
local terms energy: -406.906212
where:
bonds (distance) C4'-P energy: -72.220
bonds (distance) P-C4' energy: -83.449
flat angles C4'-P-C4' energy: -98.650
flat angles P-C4'-P energy: -58.659
tors. eta vs tors. theta energy: -93.928
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: 257
Temperature: 1.200000
Total energy: -1079.620560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.620560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.620560 (E_RNA)
where:
Base-Base interactions energy: -726.884
where: short stacking energy: -301.148
Base-Backbone interact. energy: 1.803
local terms energy: -354.539434
where:
bonds (distance) C4'-P energy: -81.803
bonds (distance) P-C4' energy: -83.863
flat angles C4'-P-C4' energy: -80.513
flat angles P-C4'-P energy: -45.518
tors. eta vs tors. theta energy: -62.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -821.276436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.276436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.276436 (E_RNA)
where:
Base-Base interactions energy: -515.972
where: short stacking energy: -225.071
Base-Backbone interact. energy: -2.077
local terms energy: -303.227689
where:
bonds (distance) C4'-P energy: -61.850
bonds (distance) P-C4' energy: -89.964
flat angles C4'-P-C4' energy: -64.040
flat angles P-C4'-P energy: -57.524
tors. eta vs tors. theta energy: -29.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -712.394592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.394592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.394592 (E_RNA)
where:
Base-Base interactions energy: -426.524
where: short stacking energy: -226.874
Base-Backbone interact. energy: -3.908
local terms energy: -281.961981
where:
bonds (distance) C4'-P energy: -82.889
bonds (distance) P-C4' energy: -63.142
flat angles C4'-P-C4' energy: -77.474
flat angles P-C4'-P energy: -34.923
tors. eta vs tors. theta energy: -23.534
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: 257
Temperature: 1.350000
Total energy: -704.085302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.085302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.085302 (E_RNA)
where:
Base-Base interactions energy: -433.194
where: short stacking energy: -204.477
Base-Backbone interact. energy: -1.175
local terms energy: -269.716587
where:
bonds (distance) C4'-P energy: -81.118
bonds (distance) P-C4' energy: -78.039
flat angles C4'-P-C4' energy: -45.189
flat angles P-C4'-P energy: -44.688
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1562.341057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.341057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.341057 (E_RNA)
where:
Base-Base interactions energy: -1083.207
where: short stacking energy: -456.886
Base-Backbone interact. energy: 0.080
local terms energy: -479.214177
where:
bonds (distance) C4'-P energy: -94.934
bonds (distance) P-C4' energy: -103.851
flat angles C4'-P-C4' energy: -95.157
flat angles P-C4'-P energy: -59.316
tors. eta vs tors. theta energy: -125.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1560.071342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.071342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.071342 (E_RNA)
where:
Base-Base interactions energy: -1090.008
where: short stacking energy: -462.656
Base-Backbone interact. energy: -1.523
local terms energy: -468.539748
where:
bonds (distance) C4'-P energy: -86.191
bonds (distance) P-C4' energy: -89.795
flat angles C4'-P-C4' energy: -99.542
flat angles P-C4'-P energy: -68.600
tors. eta vs tors. theta energy: -124.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1470.654307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.654307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.654307 (E_RNA)
where:
Base-Base interactions energy: -998.204
where: short stacking energy: -416.067
Base-Backbone interact. energy: 1.683
local terms energy: -474.133348
where:
bonds (distance) C4'-P energy: -94.414
bonds (distance) P-C4' energy: -94.374
flat angles C4'-P-C4' energy: -96.284
flat angles P-C4'-P energy: -73.016
tors. eta vs tors. theta energy: -116.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1356.420975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.420975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.420975 (E_RNA)
where:
Base-Base interactions energy: -904.751
where: short stacking energy: -385.981
Base-Backbone interact. energy: -1.034
local terms energy: -450.635955
where:
bonds (distance) C4'-P energy: -78.770
bonds (distance) P-C4' energy: -88.296
flat angles C4'-P-C4' energy: -101.387
flat angles P-C4'-P energy: -66.747
tors. eta vs tors. theta energy: -115.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1335.025384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.025384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.025384 (E_RNA)
where:
Base-Base interactions energy: -909.238
where: short stacking energy: -400.089
Base-Backbone interact. energy: 3.881
local terms energy: -429.667924
where:
bonds (distance) C4'-P energy: -86.849
bonds (distance) P-C4' energy: -84.813
flat angles C4'-P-C4' energy: -96.918
flat angles P-C4'-P energy: -57.469
tors. eta vs tors. theta energy: -103.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1247.528422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.528422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.528422 (E_RNA)
where:
Base-Base interactions energy: -857.222
where: short stacking energy: -353.074
Base-Backbone interact. energy: -1.781
local terms energy: -388.525259
where:
bonds (distance) C4'-P energy: -73.031
bonds (distance) P-C4' energy: -85.323
flat angles C4'-P-C4' energy: -81.516
flat angles P-C4'-P energy: -68.821
tors. eta vs tors. theta energy: -79.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1123.633195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.633195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.633195 (E_RNA)
where:
Base-Base interactions energy: -765.461
where: short stacking energy: -337.707
Base-Backbone interact. energy: -1.818
local terms energy: -356.354753
where:
bonds (distance) C4'-P energy: -80.833
bonds (distance) P-C4' energy: -67.734
flat angles C4'-P-C4' energy: -77.182
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -79.828
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: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -815.159621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.159621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.159621 (E_RNA)
where:
Base-Base interactions energy: -494.430
where: short stacking energy: -226.368
Base-Backbone interact. energy: 0.935
local terms energy: -321.664623
where:
bonds (distance) C4'-P energy: -79.466
bonds (distance) P-C4' energy: -87.014
flat angles C4'-P-C4' energy: -75.857
flat angles P-C4'-P energy: -43.523
tors. eta vs tors. theta energy: -35.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -764.017850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.017850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.017850 (E_RNA)
where:
Base-Base interactions energy: -469.592
where: short stacking energy: -240.379
Base-Backbone interact. energy: -0.185
local terms energy: -294.241178
where:
bonds (distance) C4'-P energy: -53.496
bonds (distance) P-C4' energy: -66.226
flat angles C4'-P-C4' energy: -90.311
flat angles P-C4'-P energy: -49.771
tors. eta vs tors. theta energy: -34.437
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: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -706.981839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.981839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.981839 (E_RNA)
where:
Base-Base interactions energy: -409.282
where: short stacking energy: -196.799
Base-Backbone interact. energy: 0.174
local terms energy: -297.873915
where:
bonds (distance) C4'-P energy: -75.132
bonds (distance) P-C4' energy: -68.775
flat angles C4'-P-C4' energy: -74.990
flat angles P-C4'-P energy: -57.516
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1575.164841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.164841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.164841 (E_RNA)
where:
Base-Base interactions energy: -1086.212
where: short stacking energy: -452.214
Base-Backbone interact. energy: -2.527
local terms energy: -486.425789
where:
bonds (distance) C4'-P energy: -88.219
bonds (distance) P-C4' energy: -96.424
flat angles C4'-P-C4' energy: -100.256
flat angles P-C4'-P energy: -72.402
tors. eta vs tors. theta energy: -129.125
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: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1517.558708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.558708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.558708 (E_RNA)
where:
Base-Base interactions energy: -1047.336
where: short stacking energy: -427.191
Base-Backbone interact. energy: -3.235
local terms energy: -466.987177
where:
bonds (distance) C4'-P energy: -82.163
bonds (distance) P-C4' energy: -86.893
flat angles C4'-P-C4' energy: -99.940
flat angles P-C4'-P energy: -75.518
tors. eta vs tors. theta energy: -122.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1435.303887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.303887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.303887 (E_RNA)
where:
Base-Base interactions energy: -960.413
where: short stacking energy: -414.876
Base-Backbone interact. energy: -3.503
local terms energy: -471.388336
where:
bonds (distance) C4'-P energy: -87.410
bonds (distance) P-C4' energy: -94.659
flat angles C4'-P-C4' energy: -102.317
flat angles P-C4'-P energy: -71.558
tors. eta vs tors. theta energy: -115.445
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: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1357.273341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.273341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.273341 (E_RNA)
where:
Base-Base interactions energy: -928.077
where: short stacking energy: -414.937
Base-Backbone interact. energy: 0.533
local terms energy: -429.729766
where:
bonds (distance) C4'-P energy: -87.952
bonds (distance) P-C4' energy: -84.901
flat angles C4'-P-C4' energy: -88.277
flat angles P-C4'-P energy: -58.349
tors. eta vs tors. theta energy: -110.252
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: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1313.794413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.794413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.794413 (E_RNA)
where:
Base-Base interactions energy: -895.368
where: short stacking energy: -377.110
Base-Backbone interact. energy: 0.639
local terms energy: -419.065059
where:
bonds (distance) C4'-P energy: -87.289
bonds (distance) P-C4' energy: -81.112
flat angles C4'-P-C4' energy: -91.194
flat angles P-C4'-P energy: -56.443
tors. eta vs tors. theta energy: -103.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1252.786967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.786967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.786967 (E_RNA)
where:
Base-Base interactions energy: -855.785
where: short stacking energy: -353.021
Base-Backbone interact. energy: -0.443
local terms energy: -396.559174
where:
bonds (distance) C4'-P energy: -69.226
bonds (distance) P-C4' energy: -74.730
flat angles C4'-P-C4' energy: -91.033
flat angles P-C4'-P energy: -68.285
tors. eta vs tors. theta energy: -93.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1053.926343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.926343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.926343 (E_RNA)
where:
Base-Base interactions energy: -685.621
where: short stacking energy: -316.511
Base-Backbone interact. energy: -1.338
local terms energy: -366.967479
where:
bonds (distance) C4'-P energy: -76.511
bonds (distance) P-C4' energy: -68.256
flat angles C4'-P-C4' energy: -100.947
flat angles P-C4'-P energy: -55.619
tors. eta vs tors. theta energy: -65.635
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: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -866.581582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.581582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.581582 (E_RNA)
where:
Base-Base interactions energy: -538.934
where: short stacking energy: -249.826
Base-Backbone interact. energy: -1.693
local terms energy: -325.954995
where:
bonds (distance) C4'-P energy: -75.252
bonds (distance) P-C4' energy: -81.270
flat angles C4'-P-C4' energy: -79.067
flat angles P-C4'-P energy: -47.925
tors. eta vs tors. theta energy: -42.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -737.860765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.860765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.860765 (E_RNA)
where:
Base-Base interactions energy: -458.038
where: short stacking energy: -199.083
Base-Backbone interact. energy: -1.614
local terms energy: -278.208473
where:
bonds (distance) C4'-P energy: -68.259
bonds (distance) P-C4' energy: -71.558
flat angles C4'-P-C4' energy: -78.594
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: -23.081
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: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -748.321051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.321051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.321051 (E_RNA)
where:
Base-Base interactions energy: -494.835
where: short stacking energy: -230.180
Base-Backbone interact. energy: -3.010
local terms energy: -250.476182
where:
bonds (distance) C4'-P energy: -60.995
bonds (distance) P-C4' energy: -54.380
flat angles C4'-P-C4' energy: -61.298
flat angles P-C4'-P energy: -37.065
tors. eta vs tors. theta energy: -36.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1570.462371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.462371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.462371 (E_RNA)
where:
Base-Base interactions energy: -1096.236
where: short stacking energy: -468.362
Base-Backbone interact. energy: -0.178
local terms energy: -474.048751
where:
bonds (distance) C4'-P energy: -87.073
bonds (distance) P-C4' energy: -95.086
flat angles C4'-P-C4' energy: -98.639
flat angles P-C4'-P energy: -71.516
tors. eta vs tors. theta energy: -121.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1517.791917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.791917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.791917 (E_RNA)
where:
Base-Base interactions energy: -1073.813
where: short stacking energy: -444.591
Base-Backbone interact. energy: -2.168
local terms energy: -441.810770
where:
bonds (distance) C4'-P energy: -78.353
bonds (distance) P-C4' energy: -84.674
flat angles C4'-P-C4' energy: -97.889
flat angles P-C4'-P energy: -65.147
tors. eta vs tors. theta energy: -115.749
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: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1450.512067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.512067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.512067 (E_RNA)
where:
Base-Base interactions energy: -982.363
where: short stacking energy: -418.140
Base-Backbone interact. energy: -3.334
local terms energy: -464.815269
where:
bonds (distance) C4'-P energy: -81.823
bonds (distance) P-C4' energy: -100.708
flat angles C4'-P-C4' energy: -104.241
flat angles P-C4'-P energy: -70.228
tors. eta vs tors. theta energy: -107.816
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: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1355.044309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.044309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.044309 (E_RNA)
where:
Base-Base interactions energy: -916.806
where: short stacking energy: -407.535
Base-Backbone interact. energy: -0.579
local terms energy: -437.658786
where:
bonds (distance) C4'-P energy: -77.925
bonds (distance) P-C4' energy: -86.253
flat angles C4'-P-C4' energy: -102.537
flat angles P-C4'-P energy: -53.947
tors. eta vs tors. theta energy: -116.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1311.341639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.341639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.341639 (E_RNA)
where:
Base-Base interactions energy: -914.840
where: short stacking energy: -404.594
Base-Backbone interact. energy: -1.245
local terms energy: -395.256435
where:
bonds (distance) C4'-P energy: -76.819
bonds (distance) P-C4' energy: -70.742
flat angles C4'-P-C4' energy: -101.141
flat angles P-C4'-P energy: -46.545
tors. eta vs tors. theta energy: -100.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1224.144328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.144328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.144328 (E_RNA)
where:
Base-Base interactions energy: -826.742
where: short stacking energy: -356.725
Base-Backbone interact. energy: 0.907
local terms energy: -398.309027
where:
bonds (distance) C4'-P energy: -92.676
bonds (distance) P-C4' energy: -85.284
flat angles C4'-P-C4' energy: -79.015
flat angles P-C4'-P energy: -54.418
tors. eta vs tors. theta energy: -86.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1120.137834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.137834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.137834 (E_RNA)
where:
Base-Base interactions energy: -746.203
where: short stacking energy: -327.941
Base-Backbone interact. energy: -3.135
local terms energy: -370.800089
where:
bonds (distance) C4'-P energy: -82.465
bonds (distance) P-C4' energy: -77.392
flat angles C4'-P-C4' energy: -80.086
flat angles P-C4'-P energy: -50.598
tors. eta vs tors. theta energy: -80.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -798.886911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.886911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.886911 (E_RNA)
where:
Base-Base interactions energy: -496.201
where: short stacking energy: -218.275
Base-Backbone interact. energy: -2.745
local terms energy: -299.940737
where:
bonds (distance) C4'-P energy: -74.047
bonds (distance) P-C4' energy: -67.475
flat angles C4'-P-C4' energy: -84.135
flat angles P-C4'-P energy: -40.620
tors. eta vs tors. theta energy: -33.663
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: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -774.336726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.336726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.336726 (E_RNA)
where:
Base-Base interactions energy: -467.363
where: short stacking energy: -238.178
Base-Backbone interact. energy: 1.286
local terms energy: -308.260352
where:
bonds (distance) C4'-P energy: -70.506
bonds (distance) P-C4' energy: -84.107
flat angles C4'-P-C4' energy: -72.306
flat angles P-C4'-P energy: -38.646
tors. eta vs tors. theta energy: -42.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -746.283487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.283487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.283487 (E_RNA)
where:
Base-Base interactions energy: -466.687
where: short stacking energy: -230.187
Base-Backbone interact. energy: 1.025
local terms energy: -280.621064
where:
bonds (distance) C4'-P energy: -59.385
bonds (distance) P-C4' energy: -56.135
flat angles C4'-P-C4' energy: -83.734
flat angles P-C4'-P energy: -40.523
tors. eta vs tors. theta energy: -40.844
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: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1536.504237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.504237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.504237 (E_RNA)
where:
Base-Base interactions energy: -1078.144
where: short stacking energy: -462.080
Base-Backbone interact. energy: -0.271
local terms energy: -458.088849
where:
bonds (distance) C4'-P energy: -82.215
bonds (distance) P-C4' energy: -91.387
flat angles C4'-P-C4' energy: -100.201
flat angles P-C4'-P energy: -63.214
tors. eta vs tors. theta energy: -121.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1517.456413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.456413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.456413 (E_RNA)
where:
Base-Base interactions energy: -1072.883
where: short stacking energy: -458.266
Base-Backbone interact. energy: -1.545
local terms energy: -443.027738
where:
bonds (distance) C4'-P energy: -80.196
bonds (distance) P-C4' energy: -95.540
flat angles C4'-P-C4' energy: -93.475
flat angles P-C4'-P energy: -62.178
tors. eta vs tors. theta energy: -111.639
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: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1475.714278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.714278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.714278 (E_RNA)
where:
Base-Base interactions energy: -1004.335
where: short stacking energy: -457.586
Base-Backbone interact. energy: -3.862
local terms energy: -467.517381
where:
bonds (distance) C4'-P energy: -89.573
bonds (distance) P-C4' energy: -88.904
flat angles C4'-P-C4' energy: -92.930
flat angles P-C4'-P energy: -66.700
tors. eta vs tors. theta energy: -129.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1367.310280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.310280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.310280 (E_RNA)
where:
Base-Base interactions energy: -936.956
where: short stacking energy: -403.926
Base-Backbone interact. energy: 0.371
local terms energy: -430.725082
where:
bonds (distance) C4'-P energy: -75.919
bonds (distance) P-C4' energy: -89.027
flat angles C4'-P-C4' energy: -88.657
flat angles P-C4'-P energy: -67.641
tors. eta vs tors. theta energy: -109.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1328.090843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.090843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.090843 (E_RNA)
where:
Base-Base interactions energy: -931.795
where: short stacking energy: -413.293
Base-Backbone interact. energy: -0.500
local terms energy: -395.795935
where:
bonds (distance) C4'-P energy: -59.958
bonds (distance) P-C4' energy: -81.473
flat angles C4'-P-C4' energy: -85.184
flat angles P-C4'-P energy: -57.386
tors. eta vs tors. theta energy: -111.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1255.689700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.689700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.689700 (E_RNA)
where:
Base-Base interactions energy: -834.249
where: short stacking energy: -353.233
Base-Backbone interact. energy: -1.936
local terms energy: -419.504709
where:
bonds (distance) C4'-P energy: -86.525
bonds (distance) P-C4' energy: -88.771
flat angles C4'-P-C4' energy: -93.351
flat angles P-C4'-P energy: -59.825
tors. eta vs tors. theta energy: -91.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1140.471579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.471579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.471579 (E_RNA)
where:
Base-Base interactions energy: -786.046
where: short stacking energy: -327.338
Base-Backbone interact. energy: 3.100
local terms energy: -357.525316
where:
bonds (distance) C4'-P energy: -68.552
bonds (distance) P-C4' energy: -69.287
flat angles C4'-P-C4' energy: -93.172
flat angles P-C4'-P energy: -50.047
tors. eta vs tors. theta energy: -76.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -831.499513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.499513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.499513 (E_RNA)
where:
Base-Base interactions energy: -502.894
where: short stacking energy: -207.314
Base-Backbone interact. energy: -1.793
local terms energy: -326.812552
where:
bonds (distance) C4'-P energy: -85.578
bonds (distance) P-C4' energy: -83.793
flat angles C4'-P-C4' energy: -74.863
flat angles P-C4'-P energy: -48.590
tors. eta vs tors. theta energy: -33.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -746.359019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.359019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.359019 (E_RNA)
where:
Base-Base interactions energy: -464.413
where: short stacking energy: -224.974
Base-Backbone interact. energy: -2.526
local terms energy: -279.420009
where:
bonds (distance) C4'-P energy: -77.886
bonds (distance) P-C4' energy: -80.122
flat angles C4'-P-C4' energy: -59.682
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -773.493726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.493726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.493726 (E_RNA)
where:
Base-Base interactions energy: -464.999
where: short stacking energy: -227.250
Base-Backbone interact. energy: -1.512
local terms energy: -306.983133
where:
bonds (distance) C4'-P energy: -63.689
bonds (distance) P-C4' energy: -87.839
flat angles C4'-P-C4' energy: -74.723
flat angles P-C4'-P energy: -35.313
tors. eta vs tors. theta energy: -45.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1555.062364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.062364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.062364 (E_RNA)
where:
Base-Base interactions energy: -1099.028
where: short stacking energy: -471.259
Base-Backbone interact. energy: -1.485
local terms energy: -454.549382
where:
bonds (distance) C4'-P energy: -77.981
bonds (distance) P-C4' energy: -88.673
flat angles C4'-P-C4' energy: -104.106
flat angles P-C4'-P energy: -63.338
tors. eta vs tors. theta energy: -120.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1529.439507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.439507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.439507 (E_RNA)
where:
Base-Base interactions energy: -1066.478
where: short stacking energy: -449.170
Base-Backbone interact. energy: 3.755
local terms energy: -466.716600
where:
bonds (distance) C4'-P energy: -86.769
bonds (distance) P-C4' energy: -91.552
flat angles C4'-P-C4' energy: -103.137
flat angles P-C4'-P energy: -73.456
tors. eta vs tors. theta energy: -111.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1413.432057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.432057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.432057 (E_RNA)
where:
Base-Base interactions energy: -964.896
where: short stacking energy: -412.024
Base-Backbone interact. energy: -2.085
local terms energy: -446.451344
where:
bonds (distance) C4'-P energy: -77.021
bonds (distance) P-C4' energy: -88.280
flat angles C4'-P-C4' energy: -101.730
flat angles P-C4'-P energy: -64.413
tors. eta vs tors. theta energy: -115.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1426.988727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.988727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.988727 (E_RNA)
where:
Base-Base interactions energy: -972.207
where: short stacking energy: -430.725
Base-Backbone interact. energy: -1.230
local terms energy: -453.552454
where:
bonds (distance) C4'-P energy: -89.849
bonds (distance) P-C4' energy: -79.343
flat angles C4'-P-C4' energy: -93.787
flat angles P-C4'-P energy: -69.738
tors. eta vs tors. theta energy: -120.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1294.639144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.639144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.639144 (E_RNA)
where:
Base-Base interactions energy: -887.146
where: short stacking energy: -365.153
Base-Backbone interact. energy: -0.507
local terms energy: -406.985509
where:
bonds (distance) C4'-P energy: -82.282
bonds (distance) P-C4' energy: -86.625
flat angles C4'-P-C4' energy: -96.094
flat angles P-C4'-P energy: -53.933
tors. eta vs tors. theta energy: -88.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1292.607174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.607174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.607174 (E_RNA)
where:
Base-Base interactions energy: -866.200
where: short stacking energy: -373.493
Base-Backbone interact. energy: 0.741
local terms energy: -427.148496
where:
bonds (distance) C4'-P energy: -70.666
bonds (distance) P-C4' energy: -86.577
flat angles C4'-P-C4' energy: -97.530
flat angles P-C4'-P energy: -66.565
tors. eta vs tors. theta energy: -105.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1150.993117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.993117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.993117 (E_RNA)
where:
Base-Base interactions energy: -763.472
where: short stacking energy: -331.170
Base-Backbone interact. energy: 3.207
local terms energy: -390.728092
where:
bonds (distance) C4'-P energy: -80.161
bonds (distance) P-C4' energy: -83.925
flat angles C4'-P-C4' energy: -98.355
flat angles P-C4'-P energy: -45.297
tors. eta vs tors. theta energy: -82.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -849.966861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.966861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.966861 (E_RNA)
where:
Base-Base interactions energy: -538.905
where: short stacking energy: -242.245
Base-Backbone interact. energy: -1.628
local terms energy: -309.433830
where:
bonds (distance) C4'-P energy: -75.337
bonds (distance) P-C4' energy: -72.210
flat angles C4'-P-C4' energy: -67.893
flat angles P-C4'-P energy: -56.308
tors. eta vs tors. theta energy: -37.686
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: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -726.932723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.932723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.932723 (E_RNA)
where:
Base-Base interactions energy: -442.396
where: short stacking energy: -205.858
Base-Backbone interact. energy: 1.037
local terms energy: -285.573961
where:
bonds (distance) C4'-P energy: -65.040
bonds (distance) P-C4' energy: -74.399
flat angles C4'-P-C4' energy: -71.389
flat angles P-C4'-P energy: -49.031
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -725.028175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.028175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.028175 (E_RNA)
where:
Base-Base interactions energy: -433.312
where: short stacking energy: -194.973
Base-Backbone interact. energy: 0.457
local terms energy: -292.172997
where:
bonds (distance) C4'-P energy: -69.040
bonds (distance) P-C4' energy: -84.350
flat angles C4'-P-C4' energy: -72.966
flat angles P-C4'-P energy: -43.057
tors. eta vs tors. theta energy: -22.761
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: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1540.126886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.126886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.126886 (E_RNA)
where:
Base-Base interactions energy: -1081.542
where: short stacking energy: -462.571
Base-Backbone interact. energy: -0.009
local terms energy: -458.575762
where:
bonds (distance) C4'-P energy: -96.728
bonds (distance) P-C4' energy: -81.390
flat angles C4'-P-C4' energy: -96.071
flat angles P-C4'-P energy: -65.188
tors. eta vs tors. theta energy: -119.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1519.837516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.837516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.837516 (E_RNA)
where:
Base-Base interactions energy: -1055.721
where: short stacking energy: -433.565
Base-Backbone interact. energy: -1.158
local terms energy: -462.958592
where:
bonds (distance) C4'-P energy: -87.075
bonds (distance) P-C4' energy: -95.686
flat angles C4'-P-C4' energy: -111.335
flat angles P-C4'-P energy: -54.161
tors. eta vs tors. theta energy: -114.700
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: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1486.468053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.468053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.468053 (E_RNA)
where:
Base-Base interactions energy: -999.820
where: short stacking energy: -450.865
Base-Backbone interact. energy: -0.196
local terms energy: -486.451802
where:
bonds (distance) C4'-P energy: -82.355
bonds (distance) P-C4' energy: -94.912
flat angles C4'-P-C4' energy: -103.968
flat angles P-C4'-P energy: -69.301
tors. eta vs tors. theta energy: -135.916
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: 1
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1404.438177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.438177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.438177 (E_RNA)
where:
Base-Base interactions energy: -965.628
where: short stacking energy: -424.308
Base-Backbone interact. energy: -2.675
local terms energy: -436.135625
where:
bonds (distance) C4'-P energy: -81.205
bonds (distance) P-C4' energy: -82.582
flat angles C4'-P-C4' energy: -97.880
flat angles P-C4'-P energy: -61.411
tors. eta vs tors. theta energy: -113.058
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: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1299.906110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.906110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.906110 (E_RNA)
where:
Base-Base interactions energy: -886.799
where: short stacking energy: -378.850
Base-Backbone interact. energy: -0.319
local terms energy: -412.787858
where:
bonds (distance) C4'-P energy: -76.895
bonds (distance) P-C4' energy: -90.092
flat angles C4'-P-C4' energy: -94.654
flat angles P-C4'-P energy: -60.221
tors. eta vs tors. theta energy: -90.926
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: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1251.602079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.602079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.602079 (E_RNA)
where:
Base-Base interactions energy: -858.389
where: short stacking energy: -361.293
Base-Backbone interact. energy: 2.074
local terms energy: -395.286530
where:
bonds (distance) C4'-P energy: -81.122
bonds (distance) P-C4' energy: -83.947
flat angles C4'-P-C4' energy: -90.235
flat angles P-C4'-P energy: -52.365
tors. eta vs tors. theta energy: -87.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1105.348133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.348133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.348133 (E_RNA)
where:
Base-Base interactions energy: -720.471
where: short stacking energy: -330.366
Base-Backbone interact. energy: -1.927
local terms energy: -382.949506
where:
bonds (distance) C4'-P energy: -83.512
bonds (distance) P-C4' energy: -84.248
flat angles C4'-P-C4' energy: -80.858
flat angles P-C4'-P energy: -55.813
tors. eta vs tors. theta energy: -78.519
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: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -807.816956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.816956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.816956 (E_RNA)
where:
Base-Base interactions energy: -496.214
where: short stacking energy: -243.356
Base-Backbone interact. energy: -2.063
local terms energy: -309.539714
where:
bonds (distance) C4'-P energy: -67.344
bonds (distance) P-C4' energy: -79.672
flat angles C4'-P-C4' energy: -77.888
flat angles P-C4'-P energy: -51.339
tors. eta vs tors. theta energy: -33.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -723.886175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.886175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.886175 (E_RNA)
where:
Base-Base interactions energy: -439.583
where: short stacking energy: -214.420
Base-Backbone interact. energy: 0.921
local terms energy: -285.224044
where:
bonds (distance) C4'-P energy: -85.352
bonds (distance) P-C4' energy: -65.213
flat angles C4'-P-C4' energy: -67.549
flat angles P-C4'-P energy: -38.263
tors. eta vs tors. theta energy: -28.847
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: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -688.777794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.777794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.777794 (E_RNA)
where:
Base-Base interactions energy: -442.436
where: short stacking energy: -203.088
Base-Backbone interact. energy: -1.431
local terms energy: -244.910851
where:
bonds (distance) C4'-P energy: -66.813
bonds (distance) P-C4' energy: -59.631
flat angles C4'-P-C4' energy: -73.563
flat angles P-C4'-P energy: -25.443
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1548.834249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.834249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.834249 (E_RNA)
where:
Base-Base interactions energy: -1074.375
where: short stacking energy: -463.949
Base-Backbone interact. energy: -2.682
local terms energy: -471.777741
where:
bonds (distance) C4'-P energy: -90.155
bonds (distance) P-C4' energy: -98.215
flat angles C4'-P-C4' energy: -95.628
flat angles P-C4'-P energy: -70.931
tors. eta vs tors. theta energy: -116.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1542.239366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.239366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.239366 (E_RNA)
where:
Base-Base interactions energy: -1078.209
where: short stacking energy: -444.198
Base-Backbone interact. energy: -2.565
local terms energy: -461.465626
where:
bonds (distance) C4'-P energy: -88.262
bonds (distance) P-C4' energy: -88.829
flat angles C4'-P-C4' energy: -94.642
flat angles P-C4'-P energy: -72.582
tors. eta vs tors. theta energy: -117.151
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: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1484.061410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.061410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.061410 (E_RNA)
where:
Base-Base interactions energy: -997.608
where: short stacking energy: -440.414
Base-Backbone interact. energy: -1.594
local terms energy: -484.859054
where:
bonds (distance) C4'-P energy: -89.079
bonds (distance) P-C4' energy: -103.584
flat angles C4'-P-C4' energy: -99.186
flat angles P-C4'-P energy: -67.501
tors. eta vs tors. theta energy: -125.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1417.538857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.538857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.538857 (E_RNA)
where:
Base-Base interactions energy: -985.019
where: short stacking energy: -419.285
Base-Backbone interact. energy: -2.139
local terms energy: -430.380970
where:
bonds (distance) C4'-P energy: -77.192
bonds (distance) P-C4' energy: -72.272
flat angles C4'-P-C4' energy: -92.971
flat angles P-C4'-P energy: -65.684
tors. eta vs tors. theta energy: -122.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1309.561241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.561241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.561241 (E_RNA)
where:
Base-Base interactions energy: -891.444
where: short stacking energy: -392.040
Base-Backbone interact. energy: -2.787
local terms energy: -415.330568
where:
bonds (distance) C4'-P energy: -73.400
bonds (distance) P-C4' energy: -80.585
flat angles C4'-P-C4' energy: -84.625
flat angles P-C4'-P energy: -63.928
tors. eta vs tors. theta energy: -112.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1234.670098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.670098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.670098 (E_RNA)
where:
Base-Base interactions energy: -850.995
where: short stacking energy: -359.331
Base-Backbone interact. energy: -2.219
local terms energy: -381.456004
where:
bonds (distance) C4'-P energy: -68.920
bonds (distance) P-C4' energy: -73.862
flat angles C4'-P-C4' energy: -94.069
flat angles P-C4'-P energy: -54.753
tors. eta vs tors. theta energy: -89.852
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: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1091.955950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.955950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.955950 (E_RNA)
where:
Base-Base interactions energy: -745.985
where: short stacking energy: -325.471
Base-Backbone interact. energy: -1.792
local terms energy: -344.179039
where:
bonds (distance) C4'-P energy: -66.860
bonds (distance) P-C4' energy: -68.163
flat angles C4'-P-C4' energy: -73.246
flat angles P-C4'-P energy: -55.827
tors. eta vs tors. theta energy: -80.083
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: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -825.002969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.002969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.002969 (E_RNA)
where:
Base-Base interactions energy: -505.731
where: short stacking energy: -252.615
Base-Backbone interact. energy: -0.832
local terms energy: -318.439889
where:
bonds (distance) C4'-P energy: -68.108
bonds (distance) P-C4' energy: -83.623
flat angles C4'-P-C4' energy: -78.165
flat angles P-C4'-P energy: -44.603
tors. eta vs tors. theta energy: -43.940
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: 264
Temperature: 1.300000
Total energy: -763.703190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.703190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.703190 (E_RNA)
where:
Base-Base interactions energy: -461.949
where: short stacking energy: -224.243
Base-Backbone interact. energy: 1.218
local terms energy: -302.972511
where:
bonds (distance) C4'-P energy: -55.653
bonds (distance) P-C4' energy: -74.823
flat angles C4'-P-C4' energy: -83.783
flat angles P-C4'-P energy: -55.293
tors. eta vs tors. theta energy: -33.422
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: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -727.157466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.157466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.157466 (E_RNA)
where:
Base-Base interactions energy: -440.707
where: short stacking energy: -210.659
Base-Backbone interact. energy: 4.135
local terms energy: -290.584585
where:
bonds (distance) C4'-P energy: -67.877
bonds (distance) P-C4' energy: -75.550
flat angles C4'-P-C4' energy: -75.257
flat angles P-C4'-P energy: -40.975
tors. eta vs tors. theta energy: -30.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1553.843463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.843463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.843463 (E_RNA)
where:
Base-Base interactions energy: -1055.418
where: short stacking energy: -451.159
Base-Backbone interact. energy: -0.883
local terms energy: -497.542827
where:
bonds (distance) C4'-P energy: -98.358
bonds (distance) P-C4' energy: -92.750
flat angles C4'-P-C4' energy: -103.460
flat angles P-C4'-P energy: -74.196
tors. eta vs tors. theta energy: -128.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1546.301019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.301019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.301019 (E_RNA)
where:
Base-Base interactions energy: -1099.012
where: short stacking energy: -448.124
Base-Backbone interact. energy: -3.288
local terms energy: -444.000847
where:
bonds (distance) C4'-P energy: -84.976
bonds (distance) P-C4' energy: -89.419
flat angles C4'-P-C4' energy: -92.978
flat angles P-C4'-P energy: -67.876
tors. eta vs tors. theta energy: -108.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1467.585494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.585494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.585494 (E_RNA)
where:
Base-Base interactions energy: -997.603
where: short stacking energy: -441.149
Base-Backbone interact. energy: 3.226
local terms energy: -473.207837
where:
bonds (distance) C4'-P energy: -90.260
bonds (distance) P-C4' energy: -87.489
flat angles C4'-P-C4' energy: -104.561
flat angles P-C4'-P energy: -60.480
tors. eta vs tors. theta energy: -130.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1428.626380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.626380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.626380 (E_RNA)
where:
Base-Base interactions energy: -999.097
where: short stacking energy: -403.472
Base-Backbone interact. energy: -1.918
local terms energy: -427.610938
where:
bonds (distance) C4'-P energy: -74.489
bonds (distance) P-C4' energy: -78.361
flat angles C4'-P-C4' energy: -101.812
flat angles P-C4'-P energy: -57.804
tors. eta vs tors. theta energy: -115.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1315.934210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.934210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.934210 (E_RNA)
where:
Base-Base interactions energy: -876.951
where: short stacking energy: -398.061
Base-Backbone interact. energy: 1.454
local terms energy: -440.436890
where:
bonds (distance) C4'-P energy: -83.692
bonds (distance) P-C4' energy: -92.296
flat angles C4'-P-C4' energy: -101.094
flat angles P-C4'-P energy: -56.933
tors. eta vs tors. theta energy: -106.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1262.482300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.482300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.482300 (E_RNA)
where:
Base-Base interactions energy: -849.187
where: short stacking energy: -354.727
Base-Backbone interact. energy: -1.700
local terms energy: -411.595109
where:
bonds (distance) C4'-P energy: -84.590
bonds (distance) P-C4' energy: -80.430
flat angles C4'-P-C4' energy: -93.384
flat angles P-C4'-P energy: -62.331
tors. eta vs tors. theta energy: -90.859
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: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1121.909734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.909734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.909734 (E_RNA)
where:
Base-Base interactions energy: -770.035
where: short stacking energy: -332.380
Base-Backbone interact. energy: -1.131
local terms energy: -350.744303
where:
bonds (distance) C4'-P energy: -62.927
bonds (distance) P-C4' energy: -76.518
flat angles C4'-P-C4' energy: -91.111
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -89.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -770.978773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.978773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.978773 (E_RNA)
where:
Base-Base interactions energy: -459.802
where: short stacking energy: -232.806
Base-Backbone interact. energy: -0.947
local terms energy: -310.230272
where:
bonds (distance) C4'-P energy: -71.595
bonds (distance) P-C4' energy: -79.706
flat angles C4'-P-C4' energy: -72.043
flat angles P-C4'-P energy: -37.510
tors. eta vs tors. theta energy: -49.376
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: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -806.601499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.601499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.601499 (E_RNA)
where:
Base-Base interactions energy: -502.670
where: short stacking energy: -231.266
Base-Backbone interact. energy: 4.855
local terms energy: -308.786841
where:
bonds (distance) C4'-P energy: -68.738
bonds (distance) P-C4' energy: -79.622
flat angles C4'-P-C4' energy: -69.295
flat angles P-C4'-P energy: -50.910
tors. eta vs tors. theta energy: -40.222
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: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -697.942921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.942921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.942921 (E_RNA)
where:
Base-Base interactions energy: -432.580
where: short stacking energy: -203.607
Base-Backbone interact. energy: 1.373
local terms energy: -266.736585
where:
bonds (distance) C4'-P energy: -61.616
bonds (distance) P-C4' energy: -72.430
flat angles C4'-P-C4' energy: -67.792
flat angles P-C4'-P energy: -49.247
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1575.892142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.892142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.892142 (E_RNA)
where:
Base-Base interactions energy: -1097.900
where: short stacking energy: -471.157
Base-Backbone interact. energy: -1.421
local terms energy: -476.570818
where:
bonds (distance) C4'-P energy: -88.076
bonds (distance) P-C4' energy: -81.970
flat angles C4'-P-C4' energy: -100.140
flat angles P-C4'-P energy: -75.943
tors. eta vs tors. theta energy: -130.442
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: 2, replica: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1506.052913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.052913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.052913 (E_RNA)
where:
Base-Base interactions energy: -1051.616
where: short stacking energy: -453.575
Base-Backbone interact. energy: -3.385
local terms energy: -451.051303
where:
bonds (distance) C4'-P energy: -83.997
bonds (distance) P-C4' energy: -91.810
flat angles C4'-P-C4' energy: -98.148
flat angles P-C4'-P energy: -62.901
tors. eta vs tors. theta energy: -114.195
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: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1479.439577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.439577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.439577 (E_RNA)
where:
Base-Base interactions energy: -1028.098
where: short stacking energy: -430.841
Base-Backbone interact. energy: -2.112
local terms energy: -449.229830
where:
bonds (distance) C4'-P energy: -73.103
bonds (distance) P-C4' energy: -89.657
flat angles C4'-P-C4' energy: -101.036
flat angles P-C4'-P energy: -63.958
tors. eta vs tors. theta energy: -121.477
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: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1386.932322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.932322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.932322 (E_RNA)
where:
Base-Base interactions energy: -947.948
where: short stacking energy: -421.691
Base-Backbone interact. energy: -1.366
local terms energy: -437.617773
where:
bonds (distance) C4'-P energy: -76.900
bonds (distance) P-C4' energy: -84.315
flat angles C4'-P-C4' energy: -97.739
flat angles P-C4'-P energy: -54.589
tors. eta vs tors. theta energy: -124.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1287.171784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.171784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.171784 (E_RNA)
where:
Base-Base interactions energy: -869.553
where: short stacking energy: -371.803
Base-Backbone interact. energy: -4.249
local terms energy: -413.370175
where:
bonds (distance) C4'-P energy: -97.408
bonds (distance) P-C4' energy: -83.798
flat angles C4'-P-C4' energy: -86.551
flat angles P-C4'-P energy: -48.872
tors. eta vs tors. theta energy: -96.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1241.793201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.793201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.793201 (E_RNA)
where:
Base-Base interactions energy: -820.432
where: short stacking energy: -359.565
Base-Backbone interact. energy: -2.401
local terms energy: -418.961093
where:
bonds (distance) C4'-P energy: -78.442
bonds (distance) P-C4' energy: -95.263
flat angles C4'-P-C4' energy: -97.000
flat angles P-C4'-P energy: -59.544
tors. eta vs tors. theta energy: -88.712
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: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1087.989462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.989462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.989462 (E_RNA)
where:
Base-Base interactions energy: -723.360
where: short stacking energy: -318.089
Base-Backbone interact. energy: 0.799
local terms energy: -365.428323
where:
bonds (distance) C4'-P energy: -78.042
bonds (distance) P-C4' energy: -92.058
flat angles C4'-P-C4' energy: -81.030
flat angles P-C4'-P energy: -41.260
tors. eta vs tors. theta energy: -73.038
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: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -805.956725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.956725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.956725 (E_RNA)
where:
Base-Base interactions energy: -500.976
where: short stacking energy: -255.917
Base-Backbone interact. energy: -1.844
local terms energy: -303.137102
where:
bonds (distance) C4'-P energy: -68.070
bonds (distance) P-C4' energy: -71.673
flat angles C4'-P-C4' energy: -74.222
flat angles P-C4'-P energy: -45.261
tors. eta vs tors. theta energy: -43.910
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: 266
Temperature: 1.300000
Total energy: -787.653499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.653499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.653499 (E_RNA)
where:
Base-Base interactions energy: -483.454
where: short stacking energy: -241.490
Base-Backbone interact. energy: 3.840
local terms energy: -308.039471
where:
bonds (distance) C4'-P energy: -64.704
bonds (distance) P-C4' energy: -69.692
flat angles C4'-P-C4' energy: -73.860
flat angles P-C4'-P energy: -55.118
tors. eta vs tors. theta energy: -44.665
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: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -695.023333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.023333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.023333 (E_RNA)
where:
Base-Base interactions energy: -424.058
where: short stacking energy: -196.116
Base-Backbone interact. energy: -0.612
local terms energy: -270.353449
where:
bonds (distance) C4'-P energy: -63.169
bonds (distance) P-C4' energy: -67.866
flat angles C4'-P-C4' energy: -64.956
flat angles P-C4'-P energy: -49.549
tors. eta vs tors. theta energy: -24.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1555.507536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.507536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.507536 (E_RNA)
where:
Base-Base interactions energy: -1064.989
where: short stacking energy: -469.670
Base-Backbone interact. energy: 0.585
local terms energy: -491.102923
where:
bonds (distance) C4'-P energy: -94.338
bonds (distance) P-C4' energy: -103.284
flat angles C4'-P-C4' energy: -93.721
flat angles P-C4'-P energy: -68.868
tors. eta vs tors. theta energy: -130.892
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: 267
Temperature: 0.950000
Total energy: -1510.868868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.868868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.868868 (E_RNA)
where:
Base-Base interactions energy: -1043.832
where: short stacking energy: -449.531
Base-Backbone interact. energy: -2.741
local terms energy: -464.295761
where:
bonds (distance) C4'-P energy: -82.524
bonds (distance) P-C4' energy: -85.517
flat angles C4'-P-C4' energy: -101.659
flat angles P-C4'-P energy: -72.660
tors. eta vs tors. theta energy: -121.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1456.905174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.905174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.905174 (E_RNA)
where:
Base-Base interactions energy: -1005.396
where: short stacking energy: -414.884
Base-Backbone interact. energy: -1.801
local terms energy: -449.708511
where:
bonds (distance) C4'-P energy: -88.030
bonds (distance) P-C4' energy: -90.284
flat angles C4'-P-C4' energy: -100.153
flat angles P-C4'-P energy: -60.870
tors. eta vs tors. theta energy: -110.372
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: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1375.390882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.390882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.390882 (E_RNA)
where:
Base-Base interactions energy: -926.438
where: short stacking energy: -404.154
Base-Backbone interact. energy: -1.532
local terms energy: -447.421585
where:
bonds (distance) C4'-P energy: -81.922
bonds (distance) P-C4' energy: -92.864
flat angles C4'-P-C4' energy: -97.405
flat angles P-C4'-P energy: -69.458
tors. eta vs tors. theta energy: -105.773
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: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1292.615482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.615482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.615482 (E_RNA)
where:
Base-Base interactions energy: -898.059
where: short stacking energy: -377.954
Base-Backbone interact. energy: -1.083
local terms energy: -393.472816
where:
bonds (distance) C4'-P energy: -76.093
bonds (distance) P-C4' energy: -72.306
flat angles C4'-P-C4' energy: -95.042
flat angles P-C4'-P energy: -53.844
tors. eta vs tors. theta energy: -96.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1253.627182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.627182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.627182 (E_RNA)
where:
Base-Base interactions energy: -857.617
where: short stacking energy: -372.930
Base-Backbone interact. energy: -0.726
local terms energy: -395.283621
where:
bonds (distance) C4'-P energy: -67.842
bonds (distance) P-C4' energy: -82.208
flat angles C4'-P-C4' energy: -85.269
flat angles P-C4'-P energy: -51.295
tors. eta vs tors. theta energy: -108.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1068.903828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.903828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.903828 (E_RNA)
where:
Base-Base interactions energy: -703.686
where: short stacking energy: -312.544
Base-Backbone interact. energy: -3.433
local terms energy: -361.784721
where:
bonds (distance) C4'-P energy: -76.783
bonds (distance) P-C4' energy: -85.568
flat angles C4'-P-C4' energy: -70.730
flat angles P-C4'-P energy: -56.093
tors. eta vs tors. theta energy: -72.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -804.586976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.586976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.586976 (E_RNA)
where:
Base-Base interactions energy: -487.068
where: short stacking energy: -240.635
Base-Backbone interact. energy: 4.208
local terms energy: -321.727233
where:
bonds (distance) C4'-P energy: -76.119
bonds (distance) P-C4' energy: -85.905
flat angles C4'-P-C4' energy: -72.917
flat angles P-C4'-P energy: -46.852
tors. eta vs tors. theta energy: -39.933
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: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -776.645794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.645794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.645794 (E_RNA)
where:
Base-Base interactions energy: -474.646
where: short stacking energy: -221.658
Base-Backbone interact. energy: -0.333
local terms energy: -301.666655
where:
bonds (distance) C4'-P energy: -67.624
bonds (distance) P-C4' energy: -88.793
flat angles C4'-P-C4' energy: -69.124
flat angles P-C4'-P energy: -48.748
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -719.296643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.296643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.296643 (E_RNA)
where:
Base-Base interactions energy: -437.938
where: short stacking energy: -223.444
Base-Backbone interact. energy: -0.695
local terms energy: -280.663581
where:
bonds (distance) C4'-P energy: -58.760
bonds (distance) P-C4' energy: -83.529
flat angles C4'-P-C4' energy: -81.660
flat angles P-C4'-P energy: -26.887
tors. eta vs tors. theta energy: -29.827
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: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1566.267468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.267468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.267468 (E_RNA)
where:
Base-Base interactions energy: -1087.305
where: short stacking energy: -477.721
Base-Backbone interact. energy: -1.966
local terms energy: -476.996941
where:
bonds (distance) C4'-P energy: -91.419
bonds (distance) P-C4' energy: -87.086
flat angles C4'-P-C4' energy: -94.788
flat angles P-C4'-P energy: -72.610
tors. eta vs tors. theta energy: -131.094
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: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1514.001177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.001177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.001177 (E_RNA)
where:
Base-Base interactions energy: -1041.509
where: short stacking energy: -444.534
Base-Backbone interact. energy: -3.545
local terms energy: -468.946781
where:
bonds (distance) C4'-P energy: -84.845
bonds (distance) P-C4' energy: -97.814
flat angles C4'-P-C4' energy: -99.146
flat angles P-C4'-P energy: -70.885
tors. eta vs tors. theta energy: -116.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1437.063072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.063072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.063072 (E_RNA)
where:
Base-Base interactions energy: -990.626
where: short stacking energy: -418.790
Base-Backbone interact. energy: -0.240
local terms energy: -446.197046
where:
bonds (distance) C4'-P energy: -85.326
bonds (distance) P-C4' energy: -83.282
flat angles C4'-P-C4' energy: -100.162
flat angles P-C4'-P energy: -68.521
tors. eta vs tors. theta energy: -108.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1360.889083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.889083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.889083 (E_RNA)
where:
Base-Base interactions energy: -922.486
where: short stacking energy: -401.772
Base-Backbone interact. energy: -0.163
local terms energy: -438.240454
where:
bonds (distance) C4'-P energy: -87.042
bonds (distance) P-C4' energy: -87.701
flat angles C4'-P-C4' energy: -91.274
flat angles P-C4'-P energy: -64.197
tors. eta vs tors. theta energy: -108.027
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: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1302.997433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.997433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.997433 (E_RNA)
where:
Base-Base interactions energy: -886.572
where: short stacking energy: -380.475
Base-Backbone interact. energy: -3.142
local terms energy: -413.283086
where:
bonds (distance) C4'-P energy: -74.344
bonds (distance) P-C4' energy: -79.784
flat angles C4'-P-C4' energy: -92.138
flat angles P-C4'-P energy: -60.644
tors. eta vs tors. theta energy: -106.373
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: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1252.497836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.497836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.497836 (E_RNA)
where:
Base-Base interactions energy: -850.740
where: short stacking energy: -368.860
Base-Backbone interact. energy: -0.774
local terms energy: -400.983336
where:
bonds (distance) C4'-P energy: -76.797
bonds (distance) P-C4' energy: -79.155
flat angles C4'-P-C4' energy: -87.458
flat angles P-C4'-P energy: -52.929
tors. eta vs tors. theta energy: -104.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1087.626504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.626504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.626504 (E_RNA)
where:
Base-Base interactions energy: -732.032
where: short stacking energy: -313.056
Base-Backbone interact. energy: -3.256
local terms energy: -352.337978
where:
bonds (distance) C4'-P energy: -69.101
bonds (distance) P-C4' energy: -89.670
flat angles C4'-P-C4' energy: -68.920
flat angles P-C4'-P energy: -51.152
tors. eta vs tors. theta energy: -73.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -853.925165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.925165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.925165 (E_RNA)
where:
Base-Base interactions energy: -530.962
where: short stacking energy: -264.740
Base-Backbone interact. energy: 0.681
local terms energy: -323.643306
where:
bonds (distance) C4'-P energy: -75.735
bonds (distance) P-C4' energy: -67.977
flat angles C4'-P-C4' energy: -75.144
flat angles P-C4'-P energy: -52.382
tors. eta vs tors. theta energy: -52.406
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: 268
Temperature: 1.300000
Total energy: -772.061689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.061689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.061689 (E_RNA)
where:
Base-Base interactions energy: -477.035
where: short stacking energy: -217.317
Base-Backbone interact. energy: -2.541
local terms energy: -292.485007
where:
bonds (distance) C4'-P energy: -69.934
bonds (distance) P-C4' energy: -79.655
flat angles C4'-P-C4' energy: -79.339
flat angles P-C4'-P energy: -47.089
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -726.264195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.264195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.264195 (E_RNA)
where:
Base-Base interactions energy: -441.566
where: short stacking energy: -214.859
Base-Backbone interact. energy: -0.112
local terms energy: -284.586877
where:
bonds (distance) C4'-P energy: -79.594
bonds (distance) P-C4' energy: -64.915
flat angles C4'-P-C4' energy: -61.991
flat angles P-C4'-P energy: -46.851
tors. eta vs tors. theta energy: -31.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1558.706408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.706408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.706408 (E_RNA)
where:
Base-Base interactions energy: -1079.871
where: short stacking energy: -485.509
Base-Backbone interact. energy: -1.696
local terms energy: -477.139208
where:
bonds (distance) C4'-P energy: -90.218
bonds (distance) P-C4' energy: -86.120
flat angles C4'-P-C4' energy: -98.172
flat angles P-C4'-P energy: -69.866
tors. eta vs tors. theta energy: -132.763
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: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1519.652158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.652158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.652158 (E_RNA)
where:
Base-Base interactions energy: -1045.694
where: short stacking energy: -455.318
Base-Backbone interact. energy: -2.530
local terms energy: -471.428139
where:
bonds (distance) C4'-P energy: -85.191
bonds (distance) P-C4' energy: -87.628
flat angles C4'-P-C4' energy: -96.872
flat angles P-C4'-P energy: -72.596
tors. eta vs tors. theta energy: -129.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1421.363117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.363117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.363117 (E_RNA)
where:
Base-Base interactions energy: -998.165
where: short stacking energy: -403.296
Base-Backbone interact. energy: -1.373
local terms energy: -421.825459
where:
bonds (distance) C4'-P energy: -89.755
bonds (distance) P-C4' energy: -77.548
flat angles C4'-P-C4' energy: -93.197
flat angles P-C4'-P energy: -61.272
tors. eta vs tors. theta energy: -100.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1381.665123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.665123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.665123 (E_RNA)
where:
Base-Base interactions energy: -933.358
where: short stacking energy: -421.791
Base-Backbone interact. energy: 3.042
local terms energy: -451.349549
where:
bonds (distance) C4'-P energy: -78.011
bonds (distance) P-C4' energy: -88.340
flat angles C4'-P-C4' energy: -91.713
flat angles P-C4'-P energy: -66.109
tors. eta vs tors. theta energy: -127.176
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: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1271.560626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.560626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.560626 (E_RNA)
where:
Base-Base interactions energy: -842.317
where: short stacking energy: -375.290
Base-Backbone interact. energy: -3.492
local terms energy: -425.751985
where:
bonds (distance) C4'-P energy: -85.157
bonds (distance) P-C4' energy: -87.738
flat angles C4'-P-C4' energy: -86.182
flat angles P-C4'-P energy: -67.758
tors. eta vs tors. theta energy: -98.918
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: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1237.847569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.847569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.847569 (E_RNA)
where:
Base-Base interactions energy: -823.568
where: short stacking energy: -351.731
Base-Backbone interact. energy: 2.546
local terms energy: -416.825627
where:
bonds (distance) C4'-P energy: -85.689
bonds (distance) P-C4' energy: -86.963
flat angles C4'-P-C4' energy: -88.923
flat angles P-C4'-P energy: -60.500
tors. eta vs tors. theta energy: -94.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1087.276775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.276775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.276775 (E_RNA)
where:
Base-Base interactions energy: -716.329
where: short stacking energy: -306.791
Base-Backbone interact. energy: -1.256
local terms energy: -369.692607
where:
bonds (distance) C4'-P energy: -81.889
bonds (distance) P-C4' energy: -84.706
flat angles C4'-P-C4' energy: -85.251
flat angles P-C4'-P energy: -52.978
tors. eta vs tors. theta energy: -64.870
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: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -816.005924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.005924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.005924 (E_RNA)
where:
Base-Base interactions energy: -521.165
where: short stacking energy: -258.187
Base-Backbone interact. energy: -0.454
local terms energy: -294.386822
where:
bonds (distance) C4'-P energy: -69.000
bonds (distance) P-C4' energy: -70.472
flat angles C4'-P-C4' energy: -67.192
flat angles P-C4'-P energy: -51.177
tors. eta vs tors. theta energy: -36.545
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: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -811.867901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.867901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.867901 (E_RNA)
where:
Base-Base interactions energy: -508.974
where: short stacking energy: -231.764
Base-Backbone interact. energy: -2.727
local terms energy: -300.166721
where:
bonds (distance) C4'-P energy: -65.808
bonds (distance) P-C4' energy: -63.463
flat angles C4'-P-C4' energy: -71.094
flat angles P-C4'-P energy: -58.445
tors. eta vs tors. theta energy: -41.356
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: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -705.396161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.396161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.396161 (E_RNA)
where:
Base-Base interactions energy: -435.318
where: short stacking energy: -211.164
Base-Backbone interact. energy: -2.218
local terms energy: -267.860539
where:
bonds (distance) C4'-P energy: -73.060
bonds (distance) P-C4' energy: -76.461
flat angles C4'-P-C4' energy: -72.203
flat angles P-C4'-P energy: -23.093
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1561.205589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.205589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.205589 (E_RNA)
where:
Base-Base interactions energy: -1078.728
where: short stacking energy: -456.182
Base-Backbone interact. energy: -1.625
local terms energy: -480.852771
where:
bonds (distance) C4'-P energy: -93.399
bonds (distance) P-C4' energy: -98.074
flat angles C4'-P-C4' energy: -102.146
flat angles P-C4'-P energy: -62.173
tors. eta vs tors. theta energy: -125.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1499.849437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.849437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.849437 (E_RNA)
where:
Base-Base interactions energy: -1034.350
where: short stacking energy: -432.915
Base-Backbone interact. energy: -2.375
local terms energy: -463.124319
where:
bonds (distance) C4'-P energy: -95.122
bonds (distance) P-C4' energy: -97.753
flat angles C4'-P-C4' energy: -104.288
flat angles P-C4'-P energy: -58.136
tors. eta vs tors. theta energy: -107.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1426.514613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.514613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.514613 (E_RNA)
where:
Base-Base interactions energy: -1011.769
where: short stacking energy: -409.041
Base-Backbone interact. energy: 0.418
local terms energy: -415.164051
where:
bonds (distance) C4'-P energy: -80.603
bonds (distance) P-C4' energy: -82.455
flat angles C4'-P-C4' energy: -95.038
flat angles P-C4'-P energy: -59.749
tors. eta vs tors. theta energy: -97.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1383.566231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.566231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.566231 (E_RNA)
where:
Base-Base interactions energy: -939.075
where: short stacking energy: -428.086
Base-Backbone interact. energy: -2.329
local terms energy: -442.162137
where:
bonds (distance) C4'-P energy: -75.298
bonds (distance) P-C4' energy: -82.906
flat angles C4'-P-C4' energy: -105.706
flat angles P-C4'-P energy: -63.456
tors. eta vs tors. theta energy: -114.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1287.684880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.684880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.684880 (E_RNA)
where:
Base-Base interactions energy: -857.669
where: short stacking energy: -357.415
Base-Backbone interact. energy: -3.610
local terms energy: -426.406258
where:
bonds (distance) C4'-P energy: -90.186
bonds (distance) P-C4' energy: -88.846
flat angles C4'-P-C4' energy: -93.665
flat angles P-C4'-P energy: -54.269
tors. eta vs tors. theta energy: -99.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1255.840433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.840433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.840433 (E_RNA)
where:
Base-Base interactions energy: -855.450
where: short stacking energy: -367.663
Base-Backbone interact. energy: -0.704
local terms energy: -399.686240
where:
bonds (distance) C4'-P energy: -79.484
bonds (distance) P-C4' energy: -79.585
flat angles C4'-P-C4' energy: -95.362
flat angles P-C4'-P energy: -49.093
tors. eta vs tors. theta energy: -96.161
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: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1066.291444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.291444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.291444 (E_RNA)
where:
Base-Base interactions energy: -714.066
where: short stacking energy: -321.536
Base-Backbone interact. energy: 0.409
local terms energy: -352.634480
where:
bonds (distance) C4'-P energy: -70.231
bonds (distance) P-C4' energy: -71.951
flat angles C4'-P-C4' energy: -85.479
flat angles P-C4'-P energy: -56.023
tors. eta vs tors. theta energy: -68.951
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: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -842.319044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.319044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.319044 (E_RNA)
where:
Base-Base interactions energy: -515.811
where: short stacking energy: -232.548
Base-Backbone interact. energy: 0.317
local terms energy: -326.825217
where:
bonds (distance) C4'-P energy: -75.215
bonds (distance) P-C4' energy: -83.007
flat angles C4'-P-C4' energy: -79.620
flat angles P-C4'-P energy: -47.458
tors. eta vs tors. theta energy: -41.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -726.447251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.447251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.447251 (E_RNA)
where:
Base-Base interactions energy: -449.431
where: short stacking energy: -225.232
Base-Backbone interact. energy: -4.466
local terms energy: -272.550244
where:
bonds (distance) C4'-P energy: -79.351
bonds (distance) P-C4' energy: -61.209
flat angles C4'-P-C4' energy: -72.224
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: -27.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -723.342328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.342328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.342328 (E_RNA)
where:
Base-Base interactions energy: -423.008
where: short stacking energy: -208.381
Base-Backbone interact. energy: -2.274
local terms energy: -298.060947
where:
bonds (distance) C4'-P energy: -64.225
bonds (distance) P-C4' energy: -76.581
flat angles C4'-P-C4' energy: -80.478
flat angles P-C4'-P energy: -49.704
tors. eta vs tors. theta energy: -27.073
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: 271
Temperature: 0.900000
Total energy: -1558.251006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.251006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.251006 (E_RNA)
where:
Base-Base interactions energy: -1081.624
where: short stacking energy: -465.153
Base-Backbone interact. energy: -2.056
local terms energy: -474.571373
where:
bonds (distance) C4'-P energy: -82.200
bonds (distance) P-C4' energy: -93.184
flat angles C4'-P-C4' energy: -103.967
flat angles P-C4'-P energy: -67.820
tors. eta vs tors. theta energy: -127.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1482.165022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.165022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.165022 (E_RNA)
where:
Base-Base interactions energy: -1017.071
where: short stacking energy: -426.562
Base-Backbone interact. energy: -3.465
local terms energy: -461.629074
where:
bonds (distance) C4'-P energy: -91.339
bonds (distance) P-C4' energy: -90.012
flat angles C4'-P-C4' energy: -98.001
flat angles P-C4'-P energy: -67.317
tors. eta vs tors. theta energy: -114.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1437.764763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.764763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.764763 (E_RNA)
where:
Base-Base interactions energy: -1005.150
where: short stacking energy: -415.124
Base-Backbone interact. energy: -1.853
local terms energy: -430.761708
where:
bonds (distance) C4'-P energy: -77.998
bonds (distance) P-C4' energy: -86.980
flat angles C4'-P-C4' energy: -102.488
flat angles P-C4'-P energy: -63.202
tors. eta vs tors. theta energy: -100.094
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: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1351.119859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.119859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.119859 (E_RNA)
where:
Base-Base interactions energy: -910.649
where: short stacking energy: -426.659
Base-Backbone interact. energy: -1.773
local terms energy: -438.697997
where:
bonds (distance) C4'-P energy: -77.661
bonds (distance) P-C4' energy: -87.088
flat angles C4'-P-C4' energy: -100.588
flat angles P-C4'-P energy: -56.162
tors. eta vs tors. theta energy: -117.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1299.726760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.726760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.726760 (E_RNA)
where:
Base-Base interactions energy: -865.064
where: short stacking energy: -351.261
Base-Backbone interact. energy: -1.809
local terms energy: -432.854192
where:
bonds (distance) C4'-P energy: -74.599
bonds (distance) P-C4' energy: -94.596
flat angles C4'-P-C4' energy: -105.398
flat angles P-C4'-P energy: -61.584
tors. eta vs tors. theta energy: -96.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1226.559923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.559923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.559923 (E_RNA)
where:
Base-Base interactions energy: -797.565
where: short stacking energy: -353.016
Base-Backbone interact. energy: 1.169
local terms energy: -430.163249
where:
bonds (distance) C4'-P energy: -87.016
bonds (distance) P-C4' energy: -93.510
flat angles C4'-P-C4' energy: -93.195
flat angles P-C4'-P energy: -56.289
tors. eta vs tors. theta energy: -100.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1041.378398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.378398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.378398 (E_RNA)
where:
Base-Base interactions energy: -663.312
where: short stacking energy: -275.993
Base-Backbone interact. energy: 0.868
local terms energy: -378.934417
where:
bonds (distance) C4'-P energy: -94.272
bonds (distance) P-C4' energy: -88.188
flat angles C4'-P-C4' energy: -80.453
flat angles P-C4'-P energy: -55.416
tors. eta vs tors. theta energy: -60.605
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: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -834.987524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.987524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.987524 (E_RNA)
where:
Base-Base interactions energy: -491.138
where: short stacking energy: -252.684
Base-Backbone interact. energy: 3.140
local terms energy: -346.990385
where:
bonds (distance) C4'-P energy: -78.504
bonds (distance) P-C4' energy: -91.026
flat angles C4'-P-C4' energy: -81.408
flat angles P-C4'-P energy: -51.871
tors. eta vs tors. theta energy: -44.181
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: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -702.842158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.842158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.842158 (E_RNA)
where:
Base-Base interactions energy: -413.027
where: short stacking energy: -193.142
Base-Backbone interact. energy: 2.819
local terms energy: -292.634243
where:
bonds (distance) C4'-P energy: -73.084
bonds (distance) P-C4' energy: -84.810
flat angles C4'-P-C4' energy: -73.570
flat angles P-C4'-P energy: -35.560
tors. eta vs tors. theta energy: -25.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -727.183980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.183980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.183980 (E_RNA)
where:
Base-Base interactions energy: -439.546
where: short stacking energy: -198.458
Base-Backbone interact. energy: -1.540
local terms energy: -286.098279
where:
bonds (distance) C4'-P energy: -74.568
bonds (distance) P-C4' energy: -82.633
flat angles C4'-P-C4' energy: -55.108
flat angles P-C4'-P energy: -49.125
tors. eta vs tors. theta energy: -24.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1575.782125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.782125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.782125 (E_RNA)
where:
Base-Base interactions energy: -1099.500
where: short stacking energy: -466.952
Base-Backbone interact. energy: -0.610
local terms energy: -475.671894
where:
bonds (distance) C4'-P energy: -85.068
bonds (distance) P-C4' energy: -91.481
flat angles C4'-P-C4' energy: -103.180
flat angles P-C4'-P energy: -67.356
tors. eta vs tors. theta energy: -128.587
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: 272
Temperature: 0.950000
Total energy: -1480.610935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.610935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.610935 (E_RNA)
where:
Base-Base interactions energy: -1008.944
where: short stacking energy: -423.355
Base-Backbone interact. energy: -1.457
local terms energy: -470.209627
where:
bonds (distance) C4'-P energy: -104.864
bonds (distance) P-C4' energy: -88.804
flat angles C4'-P-C4' energy: -93.656
flat angles P-C4'-P energy: -65.517
tors. eta vs tors. theta energy: -117.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1430.564422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.564422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.564422 (E_RNA)
where:
Base-Base interactions energy: -1011.162
where: short stacking energy: -397.282
Base-Backbone interact. energy: 3.965
local terms energy: -423.367028
where:
bonds (distance) C4'-P energy: -77.811
bonds (distance) P-C4' energy: -89.833
flat angles C4'-P-C4' energy: -98.277
flat angles P-C4'-P energy: -63.256
tors. eta vs tors. theta energy: -94.190
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: 272
Temperature: 1.050000
Total energy: -1360.839466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.839466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.839466 (E_RNA)
where:
Base-Base interactions energy: -930.152
where: short stacking energy: -428.389
Base-Backbone interact. energy: 0.672
local terms energy: -431.358792
where:
bonds (distance) C4'-P energy: -80.917
bonds (distance) P-C4' energy: -89.933
flat angles C4'-P-C4' energy: -93.042
flat angles P-C4'-P energy: -56.996
tors. eta vs tors. theta energy: -110.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1291.947307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.947307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.947307 (E_RNA)
where:
Base-Base interactions energy: -883.203
where: short stacking energy: -375.179
Base-Backbone interact. energy: 0.149
local terms energy: -408.892947
where:
bonds (distance) C4'-P energy: -75.409
bonds (distance) P-C4' energy: -85.589
flat angles C4'-P-C4' energy: -91.523
flat angles P-C4'-P energy: -55.600
tors. eta vs tors. theta energy: -100.773
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: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1207.165384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.165384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.165384 (E_RNA)
where:
Base-Base interactions energy: -837.139
where: short stacking energy: -358.059
Base-Backbone interact. energy: 1.215
local terms energy: -371.241801
where:
bonds (distance) C4'-P energy: -73.498
bonds (distance) P-C4' energy: -76.423
flat angles C4'-P-C4' energy: -83.781
flat angles P-C4'-P energy: -50.655
tors. eta vs tors. theta energy: -86.885
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: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1035.830239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.830239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.830239 (E_RNA)
where:
Base-Base interactions energy: -689.027
where: short stacking energy: -298.286
Base-Backbone interact. energy: 0.255
local terms energy: -347.058712
where:
bonds (distance) C4'-P energy: -67.312
bonds (distance) P-C4' energy: -83.830
flat angles C4'-P-C4' energy: -85.806
flat angles P-C4'-P energy: -56.743
tors. eta vs tors. theta energy: -53.368
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: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -822.190315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.190315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.190315 (E_RNA)
where:
Base-Base interactions energy: -512.958
where: short stacking energy: -253.859
Base-Backbone interact. energy: -0.802
local terms energy: -308.430780
where:
bonds (distance) C4'-P energy: -68.700
bonds (distance) P-C4' energy: -76.635
flat angles C4'-P-C4' energy: -85.325
flat angles P-C4'-P energy: -37.786
tors. eta vs tors. theta energy: -39.985
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: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -757.493081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.493081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.493081 (E_RNA)
where:
Base-Base interactions energy: -464.021
where: short stacking energy: -215.510
Base-Backbone interact. energy: 0.491
local terms energy: -293.963187
where:
bonds (distance) C4'-P energy: -77.553
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -74.287
flat angles P-C4'-P energy: -58.765
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: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -710.232690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.232690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.232690 (E_RNA)
where:
Base-Base interactions energy: -464.105
where: short stacking energy: -212.047
Base-Backbone interact. energy: -0.423
local terms energy: -245.704704
where:
bonds (distance) C4'-P energy: -47.332
bonds (distance) P-C4' energy: -82.144
flat angles C4'-P-C4' energy: -71.385
flat angles P-C4'-P energy: -29.695
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1568.725131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.725131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.725131 (E_RNA)
where:
Base-Base interactions energy: -1083.143
where: short stacking energy: -457.675
Base-Backbone interact. energy: 0.489
local terms energy: -486.071138
where:
bonds (distance) C4'-P energy: -93.442
bonds (distance) P-C4' energy: -90.184
flat angles C4'-P-C4' energy: -106.425
flat angles P-C4'-P energy: -67.909
tors. eta vs tors. theta energy: -128.111
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: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1485.715295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.715295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.715295 (E_RNA)
where:
Base-Base interactions energy: -1021.503
where: short stacking energy: -436.851
Base-Backbone interact. energy: -4.294
local terms energy: -459.918197
where:
bonds (distance) C4'-P energy: -85.356
bonds (distance) P-C4' energy: -83.624
flat angles C4'-P-C4' energy: -106.869
flat angles P-C4'-P energy: -67.623
tors. eta vs tors. theta energy: -116.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1449.860068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.860068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.860068 (E_RNA)
where:
Base-Base interactions energy: -994.735
where: short stacking energy: -409.046
Base-Backbone interact. energy: -3.053
local terms energy: -452.072305
where:
bonds (distance) C4'-P energy: -90.172
bonds (distance) P-C4' energy: -96.730
flat angles C4'-P-C4' energy: -95.250
flat angles P-C4'-P energy: -65.688
tors. eta vs tors. theta energy: -104.232
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: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1358.960187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.960187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.960187 (E_RNA)
where:
Base-Base interactions energy: -911.451
where: short stacking energy: -425.669
Base-Backbone interact. energy: -0.331
local terms energy: -447.177979
where:
bonds (distance) C4'-P energy: -76.361
bonds (distance) P-C4' energy: -94.597
flat angles C4'-P-C4' energy: -97.479
flat angles P-C4'-P energy: -59.108
tors. eta vs tors. theta energy: -119.632
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: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1313.762881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.762881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.762881 (E_RNA)
where:
Base-Base interactions energy: -906.326
where: short stacking energy: -396.323
Base-Backbone interact. energy: -1.614
local terms energy: -405.823592
where:
bonds (distance) C4'-P energy: -82.650
bonds (distance) P-C4' energy: -78.876
flat angles C4'-P-C4' energy: -83.317
flat angles P-C4'-P energy: -47.976
tors. eta vs tors. theta energy: -113.004
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: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1197.304498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.304498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.304498 (E_RNA)
where:
Base-Base interactions energy: -806.293
where: short stacking energy: -363.324
Base-Backbone interact. energy: -2.298
local terms energy: -388.713699
where:
bonds (distance) C4'-P energy: -76.182
bonds (distance) P-C4' energy: -79.705
flat angles C4'-P-C4' energy: -99.926
flat angles P-C4'-P energy: -55.495
tors. eta vs tors. theta energy: -77.405
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: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1037.861846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.861846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.861846 (E_RNA)
where:
Base-Base interactions energy: -687.403
where: short stacking energy: -305.846
Base-Backbone interact. energy: 0.871
local terms energy: -351.329452
where:
bonds (distance) C4'-P energy: -79.573
bonds (distance) P-C4' energy: -76.748
flat angles C4'-P-C4' energy: -79.578
flat angles P-C4'-P energy: -35.794
tors. eta vs tors. theta energy: -79.638
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: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -836.884462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.884462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.884462 (E_RNA)
where:
Base-Base interactions energy: -505.568
where: short stacking energy: -255.175
Base-Backbone interact. energy: 2.781
local terms energy: -334.098137
where:
bonds (distance) C4'-P energy: -80.282
bonds (distance) P-C4' energy: -88.059
flat angles C4'-P-C4' energy: -77.351
flat angles P-C4'-P energy: -43.514
tors. eta vs tors. theta energy: -44.892
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: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -761.732565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.732565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.732565 (E_RNA)
where:
Base-Base interactions energy: -475.353
where: short stacking energy: -198.744
Base-Backbone interact. energy: -0.196
local terms energy: -286.183892
where:
bonds (distance) C4'-P energy: -73.593
bonds (distance) P-C4' energy: -76.066
flat angles C4'-P-C4' energy: -54.270
flat angles P-C4'-P energy: -57.993
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -701.362137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.362137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.362137 (E_RNA)
where:
Base-Base interactions energy: -414.319
where: short stacking energy: -207.420
Base-Backbone interact. energy: -0.923
local terms energy: -286.119608
where:
bonds (distance) C4'-P energy: -73.639
bonds (distance) P-C4' energy: -78.735
flat angles C4'-P-C4' energy: -75.904
flat angles P-C4'-P energy: -28.461
tors. eta vs tors. theta energy: -29.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1567.257726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.257726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.257726 (E_RNA)
where:
Base-Base interactions energy: -1103.027
where: short stacking energy: -472.097
Base-Backbone interact. energy: -2.130
local terms energy: -462.099818
where:
bonds (distance) C4'-P energy: -86.087
bonds (distance) P-C4' energy: -90.491
flat angles C4'-P-C4' energy: -106.799
flat angles P-C4'-P energy: -53.764
tors. eta vs tors. theta energy: -124.959
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: 274
Temperature: 0.950000
Total energy: -1471.147291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.147291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.147291 (E_RNA)
where:
Base-Base interactions energy: -1008.413
where: short stacking energy: -436.566
Base-Backbone interact. energy: 1.068
local terms energy: -463.803052
where:
bonds (distance) C4'-P energy: -88.058
bonds (distance) P-C4' energy: -102.753
flat angles C4'-P-C4' energy: -102.464
flat angles P-C4'-P energy: -61.771
tors. eta vs tors. theta energy: -108.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1463.677950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.677950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.677950 (E_RNA)
where:
Base-Base interactions energy: -1022.102
where: short stacking energy: -428.794
Base-Backbone interact. energy: 1.964
local terms energy: -443.539996
where:
bonds (distance) C4'-P energy: -79.706
bonds (distance) P-C4' energy: -87.220
flat angles C4'-P-C4' energy: -91.211
flat angles P-C4'-P energy: -64.973
tors. eta vs tors. theta energy: -120.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1350.445855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.445855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.445855 (E_RNA)
where:
Base-Base interactions energy: -881.813
where: short stacking energy: -389.239
Base-Backbone interact. energy: -0.846
local terms energy: -467.786650
where:
bonds (distance) C4'-P energy: -86.902
bonds (distance) P-C4' energy: -97.820
flat angles C4'-P-C4' energy: -98.586
flat angles P-C4'-P energy: -77.201
tors. eta vs tors. theta energy: -107.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1340.011751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.011751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.011751 (E_RNA)
where:
Base-Base interactions energy: -904.825
where: short stacking energy: -393.708
Base-Backbone interact. energy: -2.966
local terms energy: -432.220114
where:
bonds (distance) C4'-P energy: -78.498
bonds (distance) P-C4' energy: -91.413
flat angles C4'-P-C4' energy: -90.198
flat angles P-C4'-P energy: -61.105
tors. eta vs tors. theta energy: -111.007
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: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1215.585032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.585032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.585032 (E_RNA)
where:
Base-Base interactions energy: -813.077
where: short stacking energy: -367.164
Base-Backbone interact. energy: -1.854
local terms energy: -400.653742
where:
bonds (distance) C4'-P energy: -81.975
bonds (distance) P-C4' energy: -82.925
flat angles C4'-P-C4' energy: -81.476
flat angles P-C4'-P energy: -55.683
tors. eta vs tors. theta energy: -98.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1082.734062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.734062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.734062 (E_RNA)
where:
Base-Base interactions energy: -737.320
where: short stacking energy: -324.429
Base-Backbone interact. energy: -3.076
local terms energy: -342.337394
where:
bonds (distance) C4'-P energy: -56.078
bonds (distance) P-C4' energy: -67.575
flat angles C4'-P-C4' energy: -77.658
flat angles P-C4'-P energy: -62.341
tors. eta vs tors. theta energy: -78.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -809.106171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.106171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.106171 (E_RNA)
where:
Base-Base interactions energy: -486.688
where: short stacking energy: -223.981
Base-Backbone interact. energy: 4.167
local terms energy: -326.584981
where:
bonds (distance) C4'-P energy: -77.377
bonds (distance) P-C4' energy: -88.275
flat angles C4'-P-C4' energy: -64.362
flat angles P-C4'-P energy: -60.110
tors. eta vs tors. theta energy: -36.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -861.202177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.202177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.202177 (E_RNA)
where:
Base-Base interactions energy: -535.121
where: short stacking energy: -232.300
Base-Backbone interact. energy: -1.366
local terms energy: -324.715360
where:
bonds (distance) C4'-P energy: -71.432
bonds (distance) P-C4' energy: -71.887
flat angles C4'-P-C4' energy: -82.544
flat angles P-C4'-P energy: -50.985
tors. eta vs tors. theta energy: -47.868
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: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -673.371751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.371751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.371751 (E_RNA)
where:
Base-Base interactions energy: -396.172
where: short stacking energy: -195.482
Base-Backbone interact. energy: -0.098
local terms energy: -277.102095
where:
bonds (distance) C4'-P energy: -69.986
bonds (distance) P-C4' energy: -80.606
flat angles C4'-P-C4' energy: -51.519
flat angles P-C4'-P energy: -59.479
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1575.179237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.179237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.179237 (E_RNA)
where:
Base-Base interactions energy: -1112.263
where: short stacking energy: -454.600
Base-Backbone interact. energy: -1.833
local terms energy: -461.083997
where:
bonds (distance) C4'-P energy: -92.596
bonds (distance) P-C4' energy: -84.108
flat angles C4'-P-C4' energy: -94.293
flat angles P-C4'-P energy: -66.426
tors. eta vs tors. theta energy: -123.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1499.708895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.708895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.708895 (E_RNA)
where:
Base-Base interactions energy: -1054.807
where: short stacking energy: -445.694
Base-Backbone interact. energy: -2.146
local terms energy: -442.756177
where:
bonds (distance) C4'-P energy: -86.334
bonds (distance) P-C4' energy: -93.525
flat angles C4'-P-C4' energy: -95.284
flat angles P-C4'-P energy: -53.522
tors. eta vs tors. theta energy: -114.091
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: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1435.990992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.990992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.990992 (E_RNA)
where:
Base-Base interactions energy: -982.515
where: short stacking energy: -425.027
Base-Backbone interact. energy: -3.399
local terms energy: -450.077037
where:
bonds (distance) C4'-P energy: -94.068
bonds (distance) P-C4' energy: -87.249
flat angles C4'-P-C4' energy: -92.249
flat angles P-C4'-P energy: -61.551
tors. eta vs tors. theta energy: -114.960
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: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1378.595360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.595360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.595360 (E_RNA)
where:
Base-Base interactions energy: -931.020
where: short stacking energy: -423.778
Base-Backbone interact. energy: -2.575
local terms energy: -445.000397
where:
bonds (distance) C4'-P energy: -86.274
bonds (distance) P-C4' energy: -84.483
flat angles C4'-P-C4' energy: -98.457
flat angles P-C4'-P energy: -62.936
tors. eta vs tors. theta energy: -112.851
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: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1266.093978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.093978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.093978 (E_RNA)
where:
Base-Base interactions energy: -841.827
where: short stacking energy: -373.680
Base-Backbone interact. energy: 0.119
local terms energy: -424.386478
where:
bonds (distance) C4'-P energy: -85.131
bonds (distance) P-C4' energy: -87.942
flat angles C4'-P-C4' energy: -92.942
flat angles P-C4'-P energy: -62.291
tors. eta vs tors. theta energy: -96.081
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: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1190.876103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.876103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.876103 (E_RNA)
where:
Base-Base interactions energy: -793.979
where: short stacking energy: -347.614
Base-Backbone interact. energy: -2.448
local terms energy: -394.448489
where:
bonds (distance) C4'-P energy: -72.357
bonds (distance) P-C4' energy: -89.913
flat angles C4'-P-C4' energy: -86.417
flat angles P-C4'-P energy: -62.614
tors. eta vs tors. theta energy: -83.147
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: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1105.982311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.982311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.982311 (E_RNA)
where:
Base-Base interactions energy: -757.868
where: short stacking energy: -346.675
Base-Backbone interact. energy: -2.469
local terms energy: -345.645082
where:
bonds (distance) C4'-P energy: -63.119
bonds (distance) P-C4' energy: -70.407
flat angles C4'-P-C4' energy: -91.974
flat angles P-C4'-P energy: -49.941
tors. eta vs tors. theta energy: -70.205
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: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -883.737280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.737280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.737280 (E_RNA)
where:
Base-Base interactions energy: -571.139
where: short stacking energy: -260.156
Base-Backbone interact. energy: -1.062
local terms energy: -311.535823
where:
bonds (distance) C4'-P energy: -85.668
bonds (distance) P-C4' energy: -82.881
flat angles C4'-P-C4' energy: -65.923
flat angles P-C4'-P energy: -38.424
tors. eta vs tors. theta energy: -38.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -770.234404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.234404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.234404 (E_RNA)
where:
Base-Base interactions energy: -467.056
where: short stacking energy: -234.963
Base-Backbone interact. energy: 4.634
local terms energy: -307.812875
where:
bonds (distance) C4'-P energy: -67.580
bonds (distance) P-C4' energy: -82.753
flat angles C4'-P-C4' energy: -74.685
flat angles P-C4'-P energy: -57.179
tors. eta vs tors. theta energy: -25.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -642.711095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.711095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.711095 (E_RNA)
where:
Base-Base interactions energy: -368.338
where: short stacking energy: -182.063
Base-Backbone interact. energy: -1.411
local terms energy: -272.961836
where:
bonds (distance) C4'-P energy: -72.172
bonds (distance) P-C4' energy: -76.037
flat angles C4'-P-C4' energy: -73.495
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1583.177833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.177833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.177833 (E_RNA)
where:
Base-Base interactions energy: -1101.236
where: short stacking energy: -481.018
Base-Backbone interact. energy: 1.318
local terms energy: -483.259895
where:
bonds (distance) C4'-P energy: -86.315
bonds (distance) P-C4' energy: -94.168
flat angles C4'-P-C4' energy: -104.440
flat angles P-C4'-P energy: -77.563
tors. eta vs tors. theta energy: -120.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1480.902189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.902189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.902189 (E_RNA)
where:
Base-Base interactions energy: -1037.155
where: short stacking energy: -429.365
Base-Backbone interact. energy: -0.892
local terms energy: -442.854502
where:
bonds (distance) C4'-P energy: -74.384
bonds (distance) P-C4' energy: -88.046
flat angles C4'-P-C4' energy: -96.526
flat angles P-C4'-P energy: -67.306
tors. eta vs tors. theta energy: -116.592
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: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1477.584143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.584143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.584143 (E_RNA)
where:
Base-Base interactions energy: -1022.950
where: short stacking energy: -452.216
Base-Backbone interact. energy: -2.452
local terms energy: -452.181896
where:
bonds (distance) C4'-P energy: -83.988
bonds (distance) P-C4' energy: -89.193
flat angles C4'-P-C4' energy: -100.284
flat angles P-C4'-P energy: -54.304
tors. eta vs tors. theta energy: -124.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1387.582442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.582442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.582442 (E_RNA)
where:
Base-Base interactions energy: -944.908
where: short stacking energy: -422.115
Base-Backbone interact. energy: 0.707
local terms energy: -443.380802
where:
bonds (distance) C4'-P energy: -81.836
bonds (distance) P-C4' energy: -84.571
flat angles C4'-P-C4' energy: -88.375
flat angles P-C4'-P energy: -72.831
tors. eta vs tors. theta energy: -115.768
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: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1243.223161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.223161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.223161 (E_RNA)
where:
Base-Base interactions energy: -848.642
where: short stacking energy: -371.535
Base-Backbone interact. energy: -0.924
local terms energy: -393.657010
where:
bonds (distance) C4'-P energy: -74.654
bonds (distance) P-C4' energy: -86.894
flat angles C4'-P-C4' energy: -91.696
flat angles P-C4'-P energy: -59.699
tors. eta vs tors. theta energy: -80.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1231.830967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.830967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.830967 (E_RNA)
where:
Base-Base interactions energy: -842.403
where: short stacking energy: -384.386
Base-Backbone interact. energy: -0.149
local terms energy: -389.279633
where:
bonds (distance) C4'-P energy: -67.594
bonds (distance) P-C4' energy: -64.614
flat angles C4'-P-C4' energy: -83.780
flat angles P-C4'-P energy: -63.584
tors. eta vs tors. theta energy: -109.707
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: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1056.134514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.134514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.134514 (E_RNA)
where:
Base-Base interactions energy: -705.595
where: short stacking energy: -315.416
Base-Backbone interact. energy: -0.312
local terms energy: -350.228258
where:
bonds (distance) C4'-P energy: -69.192
bonds (distance) P-C4' energy: -83.991
flat angles C4'-P-C4' energy: -74.914
flat angles P-C4'-P energy: -57.409
tors. eta vs tors. theta energy: -64.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -866.648111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.648111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.648111 (E_RNA)
where:
Base-Base interactions energy: -555.452
where: short stacking energy: -269.367
Base-Backbone interact. energy: -0.524
local terms energy: -310.672143
where:
bonds (distance) C4'-P energy: -75.478
bonds (distance) P-C4' energy: -73.255
flat angles C4'-P-C4' energy: -83.181
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -44.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -827.797940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.797940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.797940 (E_RNA)
where:
Base-Base interactions energy: -505.152
where: short stacking energy: -228.240
Base-Backbone interact. energy: -2.264
local terms energy: -320.382354
where:
bonds (distance) C4'-P energy: -87.917
bonds (distance) P-C4' energy: -70.197
flat angles C4'-P-C4' energy: -67.159
flat angles P-C4'-P energy: -62.451
tors. eta vs tors. theta energy: -32.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -680.169980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.169980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.169980 (E_RNA)
where:
Base-Base interactions energy: -400.467
where: short stacking energy: -209.670
Base-Backbone interact. energy: 2.100
local terms energy: -281.802942
where:
bonds (distance) C4'-P energy: -61.628
bonds (distance) P-C4' energy: -86.565
flat angles C4'-P-C4' energy: -73.209
flat angles P-C4'-P energy: -38.238
tors. eta vs tors. theta energy: -22.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1565.054070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.054070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.054070 (E_RNA)
where:
Base-Base interactions energy: -1106.674
where: short stacking energy: -467.758
Base-Backbone interact. energy: -1.834
local terms energy: -456.546539
where:
bonds (distance) C4'-P energy: -80.803
bonds (distance) P-C4' energy: -88.537
flat angles C4'-P-C4' energy: -99.478
flat angles P-C4'-P energy: -64.920
tors. eta vs tors. theta energy: -122.808
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: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1491.861408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.861408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.861408 (E_RNA)
where:
Base-Base interactions energy: -1030.776
where: short stacking energy: -438.762
Base-Backbone interact. energy: -6.094
local terms energy: -454.991638
where:
bonds (distance) C4'-P energy: -83.395
bonds (distance) P-C4' energy: -87.381
flat angles C4'-P-C4' energy: -107.296
flat angles P-C4'-P energy: -58.676
tors. eta vs tors. theta energy: -118.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1467.252452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.252452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.252452 (E_RNA)
where:
Base-Base interactions energy: -1004.415
where: short stacking energy: -417.006
Base-Backbone interact. energy: -5.110
local terms energy: -457.727059
where:
bonds (distance) C4'-P energy: -87.306
bonds (distance) P-C4' energy: -95.110
flat angles C4'-P-C4' energy: -91.271
flat angles P-C4'-P energy: -60.585
tors. eta vs tors. theta energy: -123.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1382.065982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.065982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.065982 (E_RNA)
where:
Base-Base interactions energy: -951.462
where: short stacking energy: -432.949
Base-Backbone interact. energy: -0.687
local terms energy: -429.916791
where:
bonds (distance) C4'-P energy: -75.163
bonds (distance) P-C4' energy: -89.278
flat angles C4'-P-C4' energy: -86.628
flat angles P-C4'-P energy: -58.738
tors. eta vs tors. theta energy: -120.109
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: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1218.918919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.918919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.918919 (E_RNA)
where:
Base-Base interactions energy: -830.274
where: short stacking energy: -365.726
Base-Backbone interact. energy: -1.608
local terms energy: -387.036899
where:
bonds (distance) C4'-P energy: -83.492
bonds (distance) P-C4' energy: -76.549
flat angles C4'-P-C4' energy: -80.755
flat angles P-C4'-P energy: -53.514
tors. eta vs tors. theta energy: -92.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1197.932361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.932361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.932361 (E_RNA)
where:
Base-Base interactions energy: -799.605
where: short stacking energy: -376.728
Base-Backbone interact. energy: -0.463
local terms energy: -397.864905
where:
bonds (distance) C4'-P energy: -79.352
bonds (distance) P-C4' energy: -78.110
flat angles C4'-P-C4' energy: -82.321
flat angles P-C4'-P energy: -58.788
tors. eta vs tors. theta energy: -99.294
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: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1116.741390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.741390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.741390 (E_RNA)
where:
Base-Base interactions energy: -741.563
where: short stacking energy: -348.267
Base-Backbone interact. energy: 4.046
local terms energy: -379.224290
where:
bonds (distance) C4'-P energy: -71.018
bonds (distance) P-C4' energy: -87.831
flat angles C4'-P-C4' energy: -86.651
flat angles P-C4'-P energy: -53.717
tors. eta vs tors. theta energy: -80.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -898.754120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.754120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.754120 (E_RNA)
where:
Base-Base interactions energy: -579.983
where: short stacking energy: -272.773
Base-Backbone interact. energy: -0.987
local terms energy: -317.785023
where:
bonds (distance) C4'-P energy: -65.573
bonds (distance) P-C4' energy: -73.911
flat angles C4'-P-C4' energy: -73.961
flat angles P-C4'-P energy: -43.577
tors. eta vs tors. theta energy: -60.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -786.173438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.173438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.173438 (E_RNA)
where:
Base-Base interactions energy: -495.895
where: short stacking energy: -227.380
Base-Backbone interact. energy: 0.880
local terms energy: -291.157906
where:
bonds (distance) C4'-P energy: -65.969
bonds (distance) P-C4' energy: -70.857
flat angles C4'-P-C4' energy: -69.182
flat angles P-C4'-P energy: -49.166
tors. eta vs tors. theta energy: -35.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -684.545247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.545247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.545247 (E_RNA)
where:
Base-Base interactions energy: -427.841
where: short stacking energy: -202.205
Base-Backbone interact. energy: -0.146
local terms energy: -256.558106
where:
bonds (distance) C4'-P energy: -72.989
bonds (distance) P-C4' energy: -66.639
flat angles C4'-P-C4' energy: -64.944
flat angles P-C4'-P energy: -37.674
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1532.703228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.703228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.703228 (E_RNA)
where:
Base-Base interactions energy: -1053.707
where: short stacking energy: -460.918
Base-Backbone interact. energy: -0.904
local terms energy: -478.091603
where:
bonds (distance) C4'-P energy: -95.967
bonds (distance) P-C4' energy: -91.752
flat angles C4'-P-C4' energy: -99.435
flat angles P-C4'-P energy: -67.040
tors. eta vs tors. theta energy: -123.898
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: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1517.226517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.226517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.226517 (E_RNA)
where:
Base-Base interactions energy: -1049.253
where: short stacking energy: -452.367
Base-Backbone interact. energy: -3.688
local terms energy: -464.286040
where:
bonds (distance) C4'-P energy: -95.271
bonds (distance) P-C4' energy: -79.786
flat angles C4'-P-C4' energy: -100.158
flat angles P-C4'-P energy: -64.296
tors. eta vs tors. theta energy: -124.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1450.419545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.419545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.419545 (E_RNA)
where:
Base-Base interactions energy: -984.751
where: short stacking energy: -445.660
Base-Backbone interact. energy: -4.277
local terms energy: -461.391690
where:
bonds (distance) C4'-P energy: -86.138
bonds (distance) P-C4' energy: -85.078
flat angles C4'-P-C4' energy: -103.259
flat angles P-C4'-P energy: -64.131
tors. eta vs tors. theta energy: -122.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1382.929436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.929436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.929436 (E_RNA)
where:
Base-Base interactions energy: -946.049
where: short stacking energy: -424.134
Base-Backbone interact. energy: -0.513
local terms energy: -436.367232
where:
bonds (distance) C4'-P energy: -73.570
bonds (distance) P-C4' energy: -80.005
flat angles C4'-P-C4' energy: -99.487
flat angles P-C4'-P energy: -56.487
tors. eta vs tors. theta energy: -126.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1238.034925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.034925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.034925 (E_RNA)
where:
Base-Base interactions energy: -839.656
where: short stacking energy: -366.199
Base-Backbone interact. energy: -0.918
local terms energy: -397.460812
where:
bonds (distance) C4'-P energy: -78.582
bonds (distance) P-C4' energy: -75.712
flat angles C4'-P-C4' energy: -86.363
flat angles P-C4'-P energy: -67.205
tors. eta vs tors. theta energy: -89.599
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: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1176.545620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.545620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.545620 (E_RNA)
where:
Base-Base interactions energy: -792.896
where: short stacking energy: -353.515
Base-Backbone interact. energy: -0.760
local terms energy: -382.889699
where:
bonds (distance) C4'-P energy: -79.041
bonds (distance) P-C4' energy: -75.591
flat angles C4'-P-C4' energy: -85.485
flat angles P-C4'-P energy: -57.329
tors. eta vs tors. theta energy: -85.444
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: 278
Temperature: 1.200000
Total energy: -1113.927513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.927513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.927513 (E_RNA)
where:
Base-Base interactions energy: -757.760
where: short stacking energy: -340.282
Base-Backbone interact. energy: -0.087
local terms energy: -356.080083
where:
bonds (distance) C4'-P energy: -68.459
bonds (distance) P-C4' energy: -71.520
flat angles C4'-P-C4' energy: -73.891
flat angles P-C4'-P energy: -54.421
tors. eta vs tors. theta energy: -87.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -935.765125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.765125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.765125 (E_RNA)
where:
Base-Base interactions energy: -597.099
where: short stacking energy: -263.927
Base-Backbone interact. energy: 0.791
local terms energy: -339.457514
where:
bonds (distance) C4'-P energy: -70.857
bonds (distance) P-C4' energy: -95.722
flat angles C4'-P-C4' energy: -72.131
flat angles P-C4'-P energy: -38.560
tors. eta vs tors. theta energy: -62.188
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: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -812.905300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.905300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.905300 (E_RNA)
where:
Base-Base interactions energy: -520.139
where: short stacking energy: -239.385
Base-Backbone interact. energy: 3.619
local terms energy: -296.384889
where:
bonds (distance) C4'-P energy: -68.110
bonds (distance) P-C4' energy: -66.865
flat angles C4'-P-C4' energy: -75.595
flat angles P-C4'-P energy: -44.626
tors. eta vs tors. theta energy: -41.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -658.328893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.328893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.328893 (E_RNA)
where:
Base-Base interactions energy: -388.612
where: short stacking energy: -192.621
Base-Backbone interact. energy: 1.646
local terms energy: -271.362398
where:
bonds (distance) C4'-P energy: -59.043
bonds (distance) P-C4' energy: -65.196
flat angles C4'-P-C4' energy: -78.590
flat angles P-C4'-P energy: -46.563
tors. eta vs tors. theta energy: -21.972
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: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1547.618995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.618995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.618995 (E_RNA)
where:
Base-Base interactions energy: -1071.054
where: short stacking energy: -482.737
Base-Backbone interact. energy: 0.481
local terms energy: -477.045842
where:
bonds (distance) C4'-P energy: -88.221
bonds (distance) P-C4' energy: -89.055
flat angles C4'-P-C4' energy: -97.083
flat angles P-C4'-P energy: -76.818
tors. eta vs tors. theta energy: -125.870
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: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1505.149803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.149803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.149803 (E_RNA)
where:
Base-Base interactions energy: -1017.400
where: short stacking energy: -437.469
Base-Backbone interact. energy: -0.608
local terms energy: -487.141995
where:
bonds (distance) C4'-P energy: -93.407
bonds (distance) P-C4' energy: -96.457
flat angles C4'-P-C4' energy: -103.965
flat angles P-C4'-P energy: -64.171
tors. eta vs tors. theta energy: -129.142
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: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1447.551365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.551365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.551365 (E_RNA)
where:
Base-Base interactions energy: -980.283
where: short stacking energy: -424.254
Base-Backbone interact. energy: -3.589
local terms energy: -463.678708
where:
bonds (distance) C4'-P energy: -83.769
bonds (distance) P-C4' energy: -98.246
flat angles C4'-P-C4' energy: -87.730
flat angles P-C4'-P energy: -73.910
tors. eta vs tors. theta energy: -120.023
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: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1366.967832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.967832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.967832 (E_RNA)
where:
Base-Base interactions energy: -922.917
where: short stacking energy: -415.558
Base-Backbone interact. energy: -2.740
local terms energy: -441.310735
where:
bonds (distance) C4'-P energy: -81.682
bonds (distance) P-C4' energy: -87.829
flat angles C4'-P-C4' energy: -102.142
flat angles P-C4'-P energy: -55.921
tors. eta vs tors. theta energy: -113.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1266.220338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.220338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.220338 (E_RNA)
where:
Base-Base interactions energy: -852.427
where: short stacking energy: -346.887
Base-Backbone interact. energy: -0.556
local terms energy: -413.237282
where:
bonds (distance) C4'-P energy: -94.705
bonds (distance) P-C4' energy: -71.655
flat angles C4'-P-C4' energy: -96.277
flat angles P-C4'-P energy: -64.464
tors. eta vs tors. theta energy: -86.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1146.876581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.876581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.876581 (E_RNA)
where:
Base-Base interactions energy: -776.948
where: short stacking energy: -355.591
Base-Backbone interact. energy: -0.937
local terms energy: -368.991760
where:
bonds (distance) C4'-P energy: -67.913
bonds (distance) P-C4' energy: -84.120
flat angles C4'-P-C4' energy: -77.709
flat angles P-C4'-P energy: -45.866
tors. eta vs tors. theta energy: -93.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1084.478904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.478904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.478904 (E_RNA)
where:
Base-Base interactions energy: -711.704
where: short stacking energy: -333.704
Base-Backbone interact. energy: 0.931
local terms energy: -373.705952
where:
bonds (distance) C4'-P energy: -79.665
bonds (distance) P-C4' energy: -81.180
flat angles C4'-P-C4' energy: -85.650
flat angles P-C4'-P energy: -42.647
tors. eta vs tors. theta energy: -84.565
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: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -931.078332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.078332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.078332 (E_RNA)
where:
Base-Base interactions energy: -597.554
where: short stacking energy: -252.350
Base-Backbone interact. energy: 0.724
local terms energy: -334.248885
where:
bonds (distance) C4'-P energy: -89.623
bonds (distance) P-C4' energy: -72.097
flat angles C4'-P-C4' energy: -65.325
flat angles P-C4'-P energy: -60.724
tors. eta vs tors. theta energy: -46.480
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: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -781.456763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.456763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.456763 (E_RNA)
where:
Base-Base interactions energy: -475.261
where: short stacking energy: -213.116
Base-Backbone interact. energy: -0.874
local terms energy: -305.322074
where:
bonds (distance) C4'-P energy: -92.915
bonds (distance) P-C4' energy: -74.824
flat angles C4'-P-C4' energy: -69.048
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: -31.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -656.694797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.694797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.694797 (E_RNA)
where:
Base-Base interactions energy: -375.061
where: short stacking energy: -183.850
Base-Backbone interact. energy: -1.038
local terms energy: -280.595856
where:
bonds (distance) C4'-P energy: -57.539
bonds (distance) P-C4' energy: -81.213
flat angles C4'-P-C4' energy: -77.994
flat angles P-C4'-P energy: -43.557
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1570.221097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.221097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.221097 (E_RNA)
where:
Base-Base interactions energy: -1076.588
where: short stacking energy: -473.587
Base-Backbone interact. energy: -2.006
local terms energy: -491.627045
where:
bonds (distance) C4'-P energy: -95.429
bonds (distance) P-C4' energy: -90.081
flat angles C4'-P-C4' energy: -106.507
flat angles P-C4'-P energy: -72.727
tors. eta vs tors. theta energy: -126.883
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: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1510.408487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.408487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.408487 (E_RNA)
where:
Base-Base interactions energy: -1041.910
where: short stacking energy: -466.131
Base-Backbone interact. energy: -3.535
local terms energy: -464.963624
where:
bonds (distance) C4'-P energy: -91.289
bonds (distance) P-C4' energy: -83.895
flat angles C4'-P-C4' energy: -96.897
flat angles P-C4'-P energy: -66.784
tors. eta vs tors. theta energy: -126.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1416.628594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.628594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.628594 (E_RNA)
where:
Base-Base interactions energy: -967.821
where: short stacking energy: -442.452
Base-Backbone interact. energy: -5.124
local terms energy: -443.684366
where:
bonds (distance) C4'-P energy: -76.729
bonds (distance) P-C4' energy: -90.344
flat angles C4'-P-C4' energy: -89.847
flat angles P-C4'-P energy: -57.359
tors. eta vs tors. theta energy: -129.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1356.621393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.621393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.621393 (E_RNA)
where:
Base-Base interactions energy: -922.249
where: short stacking energy: -410.706
Base-Backbone interact. energy: -1.018
local terms energy: -433.354010
where:
bonds (distance) C4'-P energy: -75.148
bonds (distance) P-C4' energy: -81.668
flat angles C4'-P-C4' energy: -94.315
flat angles P-C4'-P energy: -67.375
tors. eta vs tors. theta energy: -114.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1253.940665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.940665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.940665 (E_RNA)
where:
Base-Base interactions energy: -839.685
where: short stacking energy: -350.297
Base-Backbone interact. energy: 1.934
local terms energy: -416.189469
where:
bonds (distance) C4'-P energy: -89.327
bonds (distance) P-C4' energy: -84.870
flat angles C4'-P-C4' energy: -95.390
flat angles P-C4'-P energy: -62.124
tors. eta vs tors. theta energy: -84.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1170.687202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.687202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.687202 (E_RNA)
where:
Base-Base interactions energy: -784.043
where: short stacking energy: -317.124
Base-Backbone interact. energy: 0.040
local terms energy: -386.684674
where:
bonds (distance) C4'-P energy: -91.114
bonds (distance) P-C4' energy: -75.348
flat angles C4'-P-C4' energy: -88.104
flat angles P-C4'-P energy: -50.130
tors. eta vs tors. theta energy: -81.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1119.567795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.567795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.567795 (E_RNA)
where:
Base-Base interactions energy: -769.074
where: short stacking energy: -338.989
Base-Backbone interact. energy: -0.543
local terms energy: -349.950073
where:
bonds (distance) C4'-P energy: -82.130
bonds (distance) P-C4' energy: -69.751
flat angles C4'-P-C4' energy: -81.225
flat angles P-C4'-P energy: -36.329
tors. eta vs tors. theta energy: -80.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -899.670999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.670999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.670999 (E_RNA)
where:
Base-Base interactions energy: -554.778
where: short stacking energy: -259.708
Base-Backbone interact. energy: 1.167
local terms energy: -346.059751
where:
bonds (distance) C4'-P energy: -75.729
bonds (distance) P-C4' energy: -75.552
flat angles C4'-P-C4' energy: -83.813
flat angles P-C4'-P energy: -46.470
tors. eta vs tors. theta energy: -64.496
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: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -768.263506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.263506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.263506 (E_RNA)
where:
Base-Base interactions energy: -496.403
where: short stacking energy: -236.123
Base-Backbone interact. energy: 2.588
local terms energy: -274.448350
where:
bonds (distance) C4'-P energy: -83.586
bonds (distance) P-C4' energy: -70.818
flat angles C4'-P-C4' energy: -55.821
flat angles P-C4'-P energy: -42.945
tors. eta vs tors. theta energy: -21.278
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: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -658.152573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.152573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.152573 (E_RNA)
where:
Base-Base interactions energy: -374.917
where: short stacking energy: -179.911
Base-Backbone interact. energy: 3.642
local terms energy: -286.877216
where:
bonds (distance) C4'-P energy: -69.788
bonds (distance) P-C4' energy: -76.929
flat angles C4'-P-C4' energy: -78.931
flat angles P-C4'-P energy: -49.130
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1565.145184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.145184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.145184 (E_RNA)
where:
Base-Base interactions energy: -1073.340
where: short stacking energy: -477.087
Base-Backbone interact. energy: -1.514
local terms energy: -490.291270
where:
bonds (distance) C4'-P energy: -90.327
bonds (distance) P-C4' energy: -94.782
flat angles C4'-P-C4' energy: -103.769
flat angles P-C4'-P energy: -72.220
tors. eta vs tors. theta energy: -129.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1473.627783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.627783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.627783 (E_RNA)
where:
Base-Base interactions energy: -1021.180
where: short stacking energy: -449.264
Base-Backbone interact. energy: -0.332
local terms energy: -452.115486
where:
bonds (distance) C4'-P energy: -89.946
bonds (distance) P-C4' energy: -92.941
flat angles C4'-P-C4' energy: -92.719
flat angles P-C4'-P energy: -57.183
tors. eta vs tors. theta energy: -119.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1428.173747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.173747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.173747 (E_RNA)
where:
Base-Base interactions energy: -978.764
where: short stacking energy: -449.843
Base-Backbone interact. energy: -1.707
local terms energy: -447.702281
where:
bonds (distance) C4'-P energy: -87.331
bonds (distance) P-C4' energy: -84.176
flat angles C4'-P-C4' energy: -87.581
flat angles P-C4'-P energy: -68.186
tors. eta vs tors. theta energy: -120.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1401.736656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.736656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.736656 (E_RNA)
where:
Base-Base interactions energy: -935.668
where: short stacking energy: -432.481
Base-Backbone interact. energy: -1.004
local terms energy: -465.064846
where:
bonds (distance) C4'-P energy: -96.917
bonds (distance) P-C4' energy: -77.549
flat angles C4'-P-C4' energy: -103.714
flat angles P-C4'-P energy: -67.822
tors. eta vs tors. theta energy: -119.064
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: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1237.478762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.478762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.478762 (E_RNA)
where:
Base-Base interactions energy: -805.556
where: short stacking energy: -354.280
Base-Backbone interact. energy: -0.301
local terms energy: -431.621651
where:
bonds (distance) C4'-P energy: -98.337
bonds (distance) P-C4' energy: -94.375
flat angles C4'-P-C4' energy: -95.846
flat angles P-C4'-P energy: -59.533
tors. eta vs tors. theta energy: -83.530
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: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1117.474878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.474878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.474878 (E_RNA)
where:
Base-Base interactions energy: -735.538
where: short stacking energy: -297.410
Base-Backbone interact. energy: -1.080
local terms energy: -380.856646
where:
bonds (distance) C4'-P energy: -81.605
bonds (distance) P-C4' energy: -85.950
flat angles C4'-P-C4' energy: -84.063
flat angles P-C4'-P energy: -54.843
tors. eta vs tors. theta energy: -74.396
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: 281
Temperature: 1.200000
Total energy: -1063.456632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.456632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.456632 (E_RNA)
where:
Base-Base interactions energy: -697.862
where: short stacking energy: -311.997
Base-Backbone interact. energy: -1.395
local terms energy: -364.199314
where:
bonds (distance) C4'-P energy: -65.684
bonds (distance) P-C4' energy: -92.424
flat angles C4'-P-C4' energy: -84.874
flat angles P-C4'-P energy: -48.457
tors. eta vs tors. theta energy: -72.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -893.632195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.632195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.632195 (E_RNA)
where:
Base-Base interactions energy: -546.752
where: short stacking energy: -249.809
Base-Backbone interact. energy: -3.613
local terms energy: -343.266973
where:
bonds (distance) C4'-P energy: -70.687
bonds (distance) P-C4' energy: -86.966
flat angles C4'-P-C4' energy: -77.158
flat angles P-C4'-P energy: -53.259
tors. eta vs tors. theta energy: -55.198
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: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -779.397336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.397336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.397336 (E_RNA)
where:
Base-Base interactions energy: -475.953
where: short stacking energy: -199.054
Base-Backbone interact. energy: 0.813
local terms energy: -304.257679
where:
bonds (distance) C4'-P energy: -79.569
bonds (distance) P-C4' energy: -72.757
flat angles C4'-P-C4' energy: -68.144
flat angles P-C4'-P energy: -63.315
tors. eta vs tors. theta energy: -20.472
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: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -562.982724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.982724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.982724 (E_RNA)
where:
Base-Base interactions energy: -320.258
where: short stacking energy: -174.296
Base-Backbone interact. energy: -0.314
local terms energy: -242.410512
where:
bonds (distance) C4'-P energy: -62.111
bonds (distance) P-C4' energy: -76.983
flat angles C4'-P-C4' energy: -70.927
flat angles P-C4'-P energy: -33.612
tors. eta vs tors. theta energy: 1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1553.719433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.719433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.719433 (E_RNA)
where:
Base-Base interactions energy: -1074.383
where: short stacking energy: -450.775
Base-Backbone interact. energy: 0.502
local terms energy: -479.838395
where:
bonds (distance) C4'-P energy: -87.444
bonds (distance) P-C4' energy: -98.149
flat angles C4'-P-C4' energy: -97.252
flat angles P-C4'-P energy: -69.320
tors. eta vs tors. theta energy: -127.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1508.607583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.607583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.607583 (E_RNA)
where:
Base-Base interactions energy: -1037.167
where: short stacking energy: -443.620
Base-Backbone interact. energy: -4.023
local terms energy: -467.417057
where:
bonds (distance) C4'-P energy: -93.720
bonds (distance) P-C4' energy: -96.047
flat angles C4'-P-C4' energy: -102.698
flat angles P-C4'-P energy: -51.470
tors. eta vs tors. theta energy: -123.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1401.211157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.211157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.211157 (E_RNA)
where:
Base-Base interactions energy: -961.541
where: short stacking energy: -419.989
Base-Backbone interact. energy: -0.018
local terms energy: -439.651332
where:
bonds (distance) C4'-P energy: -70.975
bonds (distance) P-C4' energy: -76.575
flat angles C4'-P-C4' energy: -108.432
flat angles P-C4'-P energy: -66.929
tors. eta vs tors. theta energy: -116.741
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: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1379.640706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.640706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.640706 (E_RNA)
where:
Base-Base interactions energy: -949.063
where: short stacking energy: -446.600
Base-Backbone interact. energy: -1.774
local terms energy: -428.803657
where:
bonds (distance) C4'-P energy: -76.431
bonds (distance) P-C4' energy: -77.314
flat angles C4'-P-C4' energy: -96.730
flat angles P-C4'-P energy: -66.094
tors. eta vs tors. theta energy: -112.234
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: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1233.880976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.880976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.880976 (E_RNA)
where:
Base-Base interactions energy: -809.559
where: short stacking energy: -332.212
Base-Backbone interact. energy: -2.649
local terms energy: -421.673771
where:
bonds (distance) C4'-P energy: -84.070
bonds (distance) P-C4' energy: -98.987
flat angles C4'-P-C4' energy: -87.331
flat angles P-C4'-P energy: -71.459
tors. eta vs tors. theta energy: -79.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1093.400765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.400765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.400765 (E_RNA)
where:
Base-Base interactions energy: -719.465
where: short stacking energy: -325.613
Base-Backbone interact. energy: -0.984
local terms energy: -372.951637
where:
bonds (distance) C4'-P energy: -77.374
bonds (distance) P-C4' energy: -83.499
flat angles C4'-P-C4' energy: -93.637
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: -77.497
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: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1089.158812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.158812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.158812 (E_RNA)
where:
Base-Base interactions energy: -732.036
where: short stacking energy: -304.589
Base-Backbone interact. energy: 0.531
local terms energy: -357.654235
where:
bonds (distance) C4'-P energy: -74.934
bonds (distance) P-C4' energy: -92.595
flat angles C4'-P-C4' energy: -79.880
flat angles P-C4'-P energy: -47.959
tors. eta vs tors. theta energy: -62.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -944.760370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.760370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.760370 (E_RNA)
where:
Base-Base interactions energy: -609.940
where: short stacking energy: -300.608
Base-Backbone interact. energy: -1.114
local terms energy: -333.705884
where:
bonds (distance) C4'-P energy: -70.208
bonds (distance) P-C4' energy: -79.933
flat angles C4'-P-C4' energy: -71.137
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: -63.146
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: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -764.528979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.528979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.528979 (E_RNA)
where:
Base-Base interactions energy: -490.872
where: short stacking energy: -235.181
Base-Backbone interact. energy: -2.632
local terms energy: -271.025579
where:
bonds (distance) C4'-P energy: -65.027
bonds (distance) P-C4' energy: -64.005
flat angles C4'-P-C4' energy: -75.026
flat angles P-C4'-P energy: -40.021
tors. eta vs tors. theta energy: -26.947
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: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -603.254638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.254638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.254638 (E_RNA)
where:
Base-Base interactions energy: -347.949
where: short stacking energy: -179.399
Base-Backbone interact. energy: -3.259
local terms energy: -252.046628
where:
bonds (distance) C4'-P energy: -70.631
bonds (distance) P-C4' energy: -69.470
flat angles C4'-P-C4' energy: -61.019
flat angles P-C4'-P energy: -33.333
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1564.408326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.408326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.408326 (E_RNA)
where:
Base-Base interactions energy: -1088.285
where: short stacking energy: -466.396
Base-Backbone interact. energy: -1.937
local terms energy: -474.186165
where:
bonds (distance) C4'-P energy: -86.475
bonds (distance) P-C4' energy: -83.512
flat angles C4'-P-C4' energy: -105.764
flat angles P-C4'-P energy: -68.508
tors. eta vs tors. theta energy: -129.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1498.838900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.838900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.838900 (E_RNA)
where:
Base-Base interactions energy: -1032.950
where: short stacking energy: -443.525
Base-Backbone interact. energy: -2.251
local terms energy: -463.637964
where:
bonds (distance) C4'-P energy: -83.440
bonds (distance) P-C4' energy: -91.012
flat angles C4'-P-C4' energy: -96.929
flat angles P-C4'-P energy: -68.959
tors. eta vs tors. theta energy: -123.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1397.737429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.737429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.737429 (E_RNA)
where:
Base-Base interactions energy: -960.639
where: short stacking energy: -436.435
Base-Backbone interact. energy: -0.260
local terms energy: -436.838568
where:
bonds (distance) C4'-P energy: -83.753
bonds (distance) P-C4' energy: -81.349
flat angles C4'-P-C4' energy: -96.465
flat angles P-C4'-P energy: -57.820
tors. eta vs tors. theta energy: -117.451
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: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1383.554269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.554269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.554269 (E_RNA)
where:
Base-Base interactions energy: -944.587
where: short stacking energy: -426.388
Base-Backbone interact. energy: -1.488
local terms energy: -437.478388
where:
bonds (distance) C4'-P energy: -77.259
bonds (distance) P-C4' energy: -92.551
flat angles C4'-P-C4' energy: -84.982
flat angles P-C4'-P energy: -59.817
tors. eta vs tors. theta energy: -122.870
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: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1242.114189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.114189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.114189 (E_RNA)
where:
Base-Base interactions energy: -862.868
where: short stacking energy: -361.930
Base-Backbone interact. energy: 3.403
local terms energy: -382.649620
where:
bonds (distance) C4'-P energy: -79.965
bonds (distance) P-C4' energy: -76.421
flat angles C4'-P-C4' energy: -93.177
flat angles P-C4'-P energy: -60.676
tors. eta vs tors. theta energy: -72.411
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: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1181.300183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.300183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.300183 (E_RNA)
where:
Base-Base interactions energy: -790.919
where: short stacking energy: -348.825
Base-Backbone interact. energy: -0.641
local terms energy: -389.739733
where:
bonds (distance) C4'-P energy: -83.570
bonds (distance) P-C4' energy: -76.354
flat angles C4'-P-C4' energy: -83.909
flat angles P-C4'-P energy: -58.746
tors. eta vs tors. theta energy: -87.161
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: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1069.993944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.993944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.993944 (E_RNA)
where:
Base-Base interactions energy: -704.672
where: short stacking energy: -321.192
Base-Backbone interact. energy: -2.659
local terms energy: -362.663103
where:
bonds (distance) C4'-P energy: -93.940
bonds (distance) P-C4' energy: -67.197
flat angles C4'-P-C4' energy: -71.782
flat angles P-C4'-P energy: -55.188
tors. eta vs tors. theta energy: -74.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -937.401286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.401286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.401286 (E_RNA)
where:
Base-Base interactions energy: -586.875
where: short stacking energy: -276.280
Base-Backbone interact. energy: -1.755
local terms energy: -348.771765
where:
bonds (distance) C4'-P energy: -78.216
bonds (distance) P-C4' energy: -77.733
flat angles C4'-P-C4' energy: -73.125
flat angles P-C4'-P energy: -59.815
tors. eta vs tors. theta energy: -59.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -756.805732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.805732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.805732 (E_RNA)
where:
Base-Base interactions energy: -427.106
where: short stacking energy: -209.747
Base-Backbone interact. energy: -0.099
local terms energy: -329.600650
where:
bonds (distance) C4'-P energy: -92.069
bonds (distance) P-C4' energy: -79.967
flat angles C4'-P-C4' energy: -83.310
flat angles P-C4'-P energy: -44.888
tors. eta vs tors. theta energy: -29.366
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: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -556.928508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.928508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.928508 (E_RNA)
where:
Base-Base interactions energy: -304.860
where: short stacking energy: -162.384
Base-Backbone interact. energy: 0.552
local terms energy: -252.620890
where:
bonds (distance) C4'-P energy: -70.042
bonds (distance) P-C4' energy: -83.474
flat angles C4'-P-C4' energy: -70.991
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1572.979084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.979084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.979084 (E_RNA)
where:
Base-Base interactions energy: -1109.518
where: short stacking energy: -479.498
Base-Backbone interact. energy: -2.254
local terms energy: -461.207268
where:
bonds (distance) C4'-P energy: -80.436
bonds (distance) P-C4' energy: -90.479
flat angles C4'-P-C4' energy: -91.916
flat angles P-C4'-P energy: -69.738
tors. eta vs tors. theta energy: -128.639
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: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1501.342560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.342560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.342560 (E_RNA)
where:
Base-Base interactions energy: -1019.014
where: short stacking energy: -436.463
Base-Backbone interact. energy: -2.453
local terms energy: -479.876273
where:
bonds (distance) C4'-P energy: -86.070
bonds (distance) P-C4' energy: -84.594
flat angles C4'-P-C4' energy: -106.032
flat angles P-C4'-P energy: -71.947
tors. eta vs tors. theta energy: -131.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1433.740332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.740332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.740332 (E_RNA)
where:
Base-Base interactions energy: -947.313
where: short stacking energy: -432.154
Base-Backbone interact. energy: 2.361
local terms energy: -488.788492
where:
bonds (distance) C4'-P energy: -81.327
bonds (distance) P-C4' energy: -89.729
flat angles C4'-P-C4' energy: -106.168
flat angles P-C4'-P energy: -79.369
tors. eta vs tors. theta energy: -132.196
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: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1374.971662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.971662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.971662 (E_RNA)
where:
Base-Base interactions energy: -937.709
where: short stacking energy: -404.361
Base-Backbone interact. energy: -0.908
local terms energy: -436.354590
where:
bonds (distance) C4'-P energy: -66.787
bonds (distance) P-C4' energy: -87.147
flat angles C4'-P-C4' energy: -100.170
flat angles P-C4'-P energy: -65.383
tors. eta vs tors. theta energy: -116.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1199.727286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.727286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.727286 (E_RNA)
where:
Base-Base interactions energy: -800.226
where: short stacking energy: -334.845
Base-Backbone interact. energy: 1.928
local terms energy: -401.429792
where:
bonds (distance) C4'-P energy: -80.805
bonds (distance) P-C4' energy: -90.119
flat angles C4'-P-C4' energy: -94.406
flat angles P-C4'-P energy: -57.932
tors. eta vs tors. theta energy: -78.168
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: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1222.243408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.243408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.243408 (E_RNA)
where:
Base-Base interactions energy: -837.031
where: short stacking energy: -354.254
Base-Backbone interact. energy: 1.806
local terms energy: -387.017925
where:
bonds (distance) C4'-P energy: -73.356
bonds (distance) P-C4' energy: -79.937
flat angles C4'-P-C4' energy: -86.581
flat angles P-C4'-P energy: -56.040
tors. eta vs tors. theta energy: -91.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1068.129478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.129478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.129478 (E_RNA)
where:
Base-Base interactions energy: -698.315
where: short stacking energy: -309.126
Base-Backbone interact. energy: -3.399
local terms energy: -366.415500
where:
bonds (distance) C4'-P energy: -69.809
bonds (distance) P-C4' energy: -76.179
flat angles C4'-P-C4' energy: -90.700
flat angles P-C4'-P energy: -58.672
tors. eta vs tors. theta energy: -71.055
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: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -906.765986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.765986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.765986 (E_RNA)
where:
Base-Base interactions energy: -580.186
where: short stacking energy: -261.741
Base-Backbone interact. energy: -1.193
local terms energy: -325.387242
where:
bonds (distance) C4'-P energy: -71.253
bonds (distance) P-C4' energy: -85.606
flat angles C4'-P-C4' energy: -66.059
flat angles P-C4'-P energy: -48.007
tors. eta vs tors. theta energy: -54.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -733.034288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.034288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.034288 (E_RNA)
where:
Base-Base interactions energy: -437.871
where: short stacking energy: -232.306
Base-Backbone interact. energy: 0.436
local terms energy: -295.599755
where:
bonds (distance) C4'-P energy: -75.686
bonds (distance) P-C4' energy: -65.327
flat angles C4'-P-C4' energy: -80.781
flat angles P-C4'-P energy: -28.727
tors. eta vs tors. theta energy: -45.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -576.466945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.466945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.466945 (E_RNA)
where:
Base-Base interactions energy: -328.697
where: short stacking energy: -188.470
Base-Backbone interact. energy: -1.784
local terms energy: -245.986030
where:
bonds (distance) C4'-P energy: -71.436
bonds (distance) P-C4' energy: -68.762
flat angles C4'-P-C4' energy: -59.687
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -8.041
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: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1557.885528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.885528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.885528 (E_RNA)
where:
Base-Base interactions energy: -1070.047
where: short stacking energy: -447.496
Base-Backbone interact. energy: -1.767
local terms energy: -486.071572
where:
bonds (distance) C4'-P energy: -88.757
bonds (distance) P-C4' energy: -91.953
flat angles C4'-P-C4' energy: -105.238
flat angles P-C4'-P energy: -71.438
tors. eta vs tors. theta energy: -128.685
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: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1520.755458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.755458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.755458 (E_RNA)
where:
Base-Base interactions energy: -1036.791
where: short stacking energy: -437.420
Base-Backbone interact. energy: -1.694
local terms energy: -482.270557
where:
bonds (distance) C4'-P energy: -88.706
bonds (distance) P-C4' energy: -86.859
flat angles C4'-P-C4' energy: -107.245
flat angles P-C4'-P energy: -72.772
tors. eta vs tors. theta energy: -126.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1429.568329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.568329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.568329 (E_RNA)
where:
Base-Base interactions energy: -981.816
where: short stacking energy: -433.557
Base-Backbone interact. energy: -1.342
local terms energy: -446.410370
where:
bonds (distance) C4'-P energy: -80.296
bonds (distance) P-C4' energy: -84.878
flat angles C4'-P-C4' energy: -93.391
flat angles P-C4'-P energy: -71.749
tors. eta vs tors. theta energy: -116.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1393.822371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.822371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.822371 (E_RNA)
where:
Base-Base interactions energy: -959.616
where: short stacking energy: -417.145
Base-Backbone interact. energy: -0.502
local terms energy: -433.704671
where:
bonds (distance) C4'-P energy: -84.373
bonds (distance) P-C4' energy: -88.392
flat angles C4'-P-C4' energy: -90.273
flat angles P-C4'-P energy: -61.337
tors. eta vs tors. theta energy: -109.330
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: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1222.110562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.110562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.110562 (E_RNA)
where:
Base-Base interactions energy: -819.899
where: short stacking energy: -362.925
Base-Backbone interact. energy: -0.492
local terms energy: -401.719569
where:
bonds (distance) C4'-P energy: -81.880
bonds (distance) P-C4' energy: -87.976
flat angles C4'-P-C4' energy: -89.653
flat angles P-C4'-P energy: -57.267
tors. eta vs tors. theta energy: -84.944
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: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1186.363101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.363101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.363101 (E_RNA)
where:
Base-Base interactions energy: -793.487
where: short stacking energy: -333.252
Base-Backbone interact. energy: -1.663
local terms energy: -391.213530
where:
bonds (distance) C4'-P energy: -73.880
bonds (distance) P-C4' energy: -84.825
flat angles C4'-P-C4' energy: -91.045
flat angles P-C4'-P energy: -58.091
tors. eta vs tors. theta energy: -83.371
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: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1020.902804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.902804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.902804 (E_RNA)
where:
Base-Base interactions energy: -662.404
where: short stacking energy: -301.506
Base-Backbone interact. energy: -1.296
local terms energy: -357.202515
where:
bonds (distance) C4'-P energy: -77.570
bonds (distance) P-C4' energy: -77.362
flat angles C4'-P-C4' energy: -82.420
flat angles P-C4'-P energy: -51.577
tors. eta vs tors. theta energy: -68.273
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: 285
Temperature: 1.250000
Total energy: -903.351598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.351598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.351598 (E_RNA)
where:
Base-Base interactions energy: -581.096
where: short stacking energy: -282.932
Base-Backbone interact. energy: -2.768
local terms energy: -319.487077
where:
bonds (distance) C4'-P energy: -68.705
bonds (distance) P-C4' energy: -68.932
flat angles C4'-P-C4' energy: -94.337
flat angles P-C4'-P energy: -41.148
tors. eta vs tors. theta energy: -46.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -770.864446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.864446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.864446 (E_RNA)
where:
Base-Base interactions energy: -489.465
where: short stacking energy: -241.631
Base-Backbone interact. energy: 3.561
local terms energy: -284.961281
where:
bonds (distance) C4'-P energy: -64.671
bonds (distance) P-C4' energy: -85.011
flat angles C4'-P-C4' energy: -75.007
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -36.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -533.982725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.982725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.982725 (E_RNA)
where:
Base-Base interactions energy: -296.093
where: short stacking energy: -143.372
Base-Backbone interact. energy: -1.269
local terms energy: -236.620492
where:
bonds (distance) C4'-P energy: -63.986
bonds (distance) P-C4' energy: -71.460
flat angles C4'-P-C4' energy: -74.616
flat angles P-C4'-P energy: -28.771
tors. eta vs tors. theta energy: 2.213
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: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1544.131936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.131936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.131936 (E_RNA)
where:
Base-Base interactions energy: -1075.251
where: short stacking energy: -447.127
Base-Backbone interact. energy: 0.132
local terms energy: -469.012434
where:
bonds (distance) C4'-P energy: -91.465
bonds (distance) P-C4' energy: -87.234
flat angles C4'-P-C4' energy: -101.479
flat angles P-C4'-P energy: -61.811
tors. eta vs tors. theta energy: -127.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1518.359727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.359727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.359727 (E_RNA)
where:
Base-Base interactions energy: -1038.524
where: short stacking energy: -415.318
Base-Backbone interact. energy: -3.662
local terms energy: -476.173604
where:
bonds (distance) C4'-P energy: -94.938
bonds (distance) P-C4' energy: -92.665
flat angles C4'-P-C4' energy: -108.765
flat angles P-C4'-P energy: -62.068
tors. eta vs tors. theta energy: -117.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1437.239439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.239439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.239439 (E_RNA)
where:
Base-Base interactions energy: -987.886
where: short stacking energy: -430.964
Base-Backbone interact. energy: -1.585
local terms energy: -447.767727
where:
bonds (distance) C4'-P energy: -83.716
bonds (distance) P-C4' energy: -88.605
flat angles C4'-P-C4' energy: -92.178
flat angles P-C4'-P energy: -56.829
tors. eta vs tors. theta energy: -126.439
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: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1360.363968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.363968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.363968 (E_RNA)
where:
Base-Base interactions energy: -912.370
where: short stacking energy: -409.616
Base-Backbone interact. energy: -2.032
local terms energy: -445.962442
where:
bonds (distance) C4'-P energy: -82.622
bonds (distance) P-C4' energy: -77.235
flat angles C4'-P-C4' energy: -101.764
flat angles P-C4'-P energy: -60.799
tors. eta vs tors. theta energy: -123.542
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: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1235.079806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.079806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.079806 (E_RNA)
where:
Base-Base interactions energy: -842.984
where: short stacking energy: -360.370
Base-Backbone interact. energy: 3.981
local terms energy: -396.077350
where:
bonds (distance) C4'-P energy: -65.888
bonds (distance) P-C4' energy: -74.697
flat angles C4'-P-C4' energy: -93.927
flat angles P-C4'-P energy: -64.941
tors. eta vs tors. theta energy: -96.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1214.962415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.962415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.962415 (E_RNA)
where:
Base-Base interactions energy: -823.790
where: short stacking energy: -360.277
Base-Backbone interact. energy: -4.030
local terms energy: -387.142572
where:
bonds (distance) C4'-P energy: -81.109
bonds (distance) P-C4' energy: -75.456
flat angles C4'-P-C4' energy: -85.325
flat angles P-C4'-P energy: -54.661
tors. eta vs tors. theta energy: -90.592
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: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1039.870282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.870282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.870282 (E_RNA)
where:
Base-Base interactions energy: -687.719
where: short stacking energy: -296.847
Base-Backbone interact. energy: 1.077
local terms energy: -353.228662
where:
bonds (distance) C4'-P energy: -74.914
bonds (distance) P-C4' energy: -89.986
flat angles C4'-P-C4' energy: -77.093
flat angles P-C4'-P energy: -49.746
tors. eta vs tors. theta energy: -61.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -873.304533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.304533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.304533 (E_RNA)
where:
Base-Base interactions energy: -558.860
where: short stacking energy: -243.505
Base-Backbone interact. energy: 1.389
local terms energy: -315.832703
where:
bonds (distance) C4'-P energy: -80.234
bonds (distance) P-C4' energy: -79.872
flat angles C4'-P-C4' energy: -66.787
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: -45.399
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: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -766.397431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.397431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.397431 (E_RNA)
where:
Base-Base interactions energy: -463.331
where: short stacking energy: -220.614
Base-Backbone interact. energy: -1.469
local terms energy: -301.597473
where:
bonds (distance) C4'-P energy: -67.181
bonds (distance) P-C4' energy: -79.183
flat angles C4'-P-C4' energy: -73.780
flat angles P-C4'-P energy: -43.270
tors. eta vs tors. theta energy: -38.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -510.106568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.106568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.106568 (E_RNA)
where:
Base-Base interactions energy: -258.471
where: short stacking energy: -144.606
Base-Backbone interact. energy: -0.532
local terms energy: -251.103173
where:
bonds (distance) C4'-P energy: -70.588
bonds (distance) P-C4' energy: -84.934
flat angles C4'-P-C4' energy: -81.879
flat angles P-C4'-P energy: -21.341
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: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1538.361456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.361456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.361456 (E_RNA)
where:
Base-Base interactions energy: -1070.511
where: short stacking energy: -450.999
Base-Backbone interact. energy: -2.750
local terms energy: -465.101216
where:
bonds (distance) C4'-P energy: -92.935
bonds (distance) P-C4' energy: -92.741
flat angles C4'-P-C4' energy: -92.132
flat angles P-C4'-P energy: -58.490
tors. eta vs tors. theta energy: -128.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1557.977740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.977740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.977740 (E_RNA)
where:
Base-Base interactions energy: -1096.947
where: short stacking energy: -464.719
Base-Backbone interact. energy: -3.230
local terms energy: -457.800568
where:
bonds (distance) C4'-P energy: -87.323
bonds (distance) P-C4' energy: -92.774
flat angles C4'-P-C4' energy: -106.511
flat angles P-C4'-P energy: -50.784
tors. eta vs tors. theta energy: -120.409
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: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1476.142648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.142648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.142648 (E_RNA)
where:
Base-Base interactions energy: -1010.805
where: short stacking energy: -475.320
Base-Backbone interact. energy: -0.842
local terms energy: -464.494662
where:
bonds (distance) C4'-P energy: -82.054
bonds (distance) P-C4' energy: -88.675
flat angles C4'-P-C4' energy: -97.998
flat angles P-C4'-P energy: -69.550
tors. eta vs tors. theta energy: -126.219
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: 287
Temperature: 1.050000
Total energy: -1384.365249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.365249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.365249 (E_RNA)
where:
Base-Base interactions energy: -928.492
where: short stacking energy: -400.180
Base-Backbone interact. energy: -0.338
local terms energy: -455.534537
where:
bonds (distance) C4'-P energy: -87.752
bonds (distance) P-C4' energy: -90.933
flat angles C4'-P-C4' energy: -99.631
flat angles P-C4'-P energy: -64.594
tors. eta vs tors. theta energy: -112.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1225.162357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.162357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.162357 (E_RNA)
where:
Base-Base interactions energy: -808.483
where: short stacking energy: -369.594
Base-Backbone interact. energy: -2.193
local terms energy: -414.486525
where:
bonds (distance) C4'-P energy: -82.523
bonds (distance) P-C4' energy: -90.641
flat angles C4'-P-C4' energy: -89.221
flat angles P-C4'-P energy: -65.806
tors. eta vs tors. theta energy: -86.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1202.769875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.769875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.769875 (E_RNA)
where:
Base-Base interactions energy: -817.827
where: short stacking energy: -347.667
Base-Backbone interact. energy: -3.069
local terms energy: -381.873498
where:
bonds (distance) C4'-P energy: -74.861
bonds (distance) P-C4' energy: -78.143
flat angles C4'-P-C4' energy: -89.574
flat angles P-C4'-P energy: -54.418
tors. eta vs tors. theta energy: -84.878
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: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1050.435313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.435313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.435313 (E_RNA)
where:
Base-Base interactions energy: -709.897
where: short stacking energy: -291.728
Base-Backbone interact. energy: 1.971
local terms energy: -342.509425
where:
bonds (distance) C4'-P energy: -66.802
bonds (distance) P-C4' energy: -83.051
flat angles C4'-P-C4' energy: -102.708
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: -49.958
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: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -903.947051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.947051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.947051 (E_RNA)
where:
Base-Base interactions energy: -569.611
where: short stacking energy: -273.080
Base-Backbone interact. energy: -1.650
local terms energy: -332.685987
where:
bonds (distance) C4'-P energy: -67.648
bonds (distance) P-C4' energy: -78.012
flat angles C4'-P-C4' energy: -71.207
flat angles P-C4'-P energy: -63.051
tors. eta vs tors. theta energy: -52.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -783.616275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.616275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.616275 (E_RNA)
where:
Base-Base interactions energy: -471.130
where: short stacking energy: -237.231
Base-Backbone interact. energy: -1.411
local terms energy: -311.075956
where:
bonds (distance) C4'-P energy: -70.823
bonds (distance) P-C4' energy: -79.692
flat angles C4'-P-C4' energy: -85.849
flat angles P-C4'-P energy: -37.220
tors. eta vs tors. theta energy: -37.493
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: 287
Temperature: 1.350000
Total energy: -514.637401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.637401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.637401 (E_RNA)
where:
Base-Base interactions energy: -278.095
where: short stacking energy: -155.823
Base-Backbone interact. energy: -1.614
local terms energy: -234.927996
where:
bonds (distance) C4'-P energy: -69.904
bonds (distance) P-C4' energy: -81.875
flat angles C4'-P-C4' energy: -47.881
flat angles P-C4'-P energy: -40.677
tors. eta vs tors. theta energy: 5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1527.509697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.509697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.509697 (E_RNA)
where:
Base-Base interactions energy: -1068.699
where: short stacking energy: -426.514
Base-Backbone interact. energy: -2.646
local terms energy: -456.164888
where:
bonds (distance) C4'-P energy: -88.610
bonds (distance) P-C4' energy: -94.907
flat angles C4'-P-C4' energy: -101.577
flat angles P-C4'-P energy: -58.801
tors. eta vs tors. theta energy: -112.270
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: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1533.125863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.125863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.125863 (E_RNA)
where:
Base-Base interactions energy: -1092.413
where: short stacking energy: -435.484
Base-Backbone interact. energy: -2.875
local terms energy: -437.838009
where:
bonds (distance) C4'-P energy: -80.740
bonds (distance) P-C4' energy: -94.326
flat angles C4'-P-C4' energy: -91.706
flat angles P-C4'-P energy: -56.734
tors. eta vs tors. theta energy: -114.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1449.105874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.105874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.105874 (E_RNA)
where:
Base-Base interactions energy: -985.363
where: short stacking energy: -444.917
Base-Backbone interact. energy: -2.373
local terms energy: -461.369956
where:
bonds (distance) C4'-P energy: -82.845
bonds (distance) P-C4' energy: -91.848
flat angles C4'-P-C4' energy: -98.197
flat angles P-C4'-P energy: -63.988
tors. eta vs tors. theta energy: -124.492
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: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1345.435887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.435887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.435887 (E_RNA)
where:
Base-Base interactions energy: -904.102
where: short stacking energy: -404.540
Base-Backbone interact. energy: -2.174
local terms energy: -439.159978
where:
bonds (distance) C4'-P energy: -81.212
bonds (distance) P-C4' energy: -78.817
flat angles C4'-P-C4' energy: -100.028
flat angles P-C4'-P energy: -71.585
tors. eta vs tors. theta energy: -107.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1246.502789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.502789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.502789 (E_RNA)
where:
Base-Base interactions energy: -832.092
where: short stacking energy: -351.049
Base-Backbone interact. energy: -0.960
local terms energy: -413.450867
where:
bonds (distance) C4'-P energy: -95.369
bonds (distance) P-C4' energy: -83.288
flat angles C4'-P-C4' energy: -85.123
flat angles P-C4'-P energy: -61.367
tors. eta vs tors. theta energy: -88.304
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: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1197.875560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.875560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.875560 (E_RNA)
where:
Base-Base interactions energy: -823.193
where: short stacking energy: -368.628
Base-Backbone interact. energy: -0.633
local terms energy: -374.049311
where:
bonds (distance) C4'-P energy: -73.362
bonds (distance) P-C4' energy: -81.322
flat angles C4'-P-C4' energy: -77.068
flat angles P-C4'-P energy: -51.331
tors. eta vs tors. theta energy: -90.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1070.805293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.805293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.805293 (E_RNA)
where:
Base-Base interactions energy: -720.492
where: short stacking energy: -309.737
Base-Backbone interact. energy: -0.839
local terms energy: -349.473743
where:
bonds (distance) C4'-P energy: -69.061
bonds (distance) P-C4' energy: -88.986
flat angles C4'-P-C4' energy: -81.376
flat angles P-C4'-P energy: -41.706
tors. eta vs tors. theta energy: -68.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -865.007833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.007833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.007833 (E_RNA)
where:
Base-Base interactions energy: -520.180
where: short stacking energy: -243.063
Base-Backbone interact. energy: 4.143
local terms energy: -348.969972
where:
bonds (distance) C4'-P energy: -80.486
bonds (distance) P-C4' energy: -84.505
flat angles C4'-P-C4' energy: -85.179
flat angles P-C4'-P energy: -59.604
tors. eta vs tors. theta energy: -39.196
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: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -769.302146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.302146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.302146 (E_RNA)
where:
Base-Base interactions energy: -457.231
where: short stacking energy: -218.705
Base-Backbone interact. energy: 0.056
local terms energy: -312.126535
where:
bonds (distance) C4'-P energy: -79.276
bonds (distance) P-C4' energy: -74.321
flat angles C4'-P-C4' energy: -80.687
flat angles P-C4'-P energy: -47.688
tors. eta vs tors. theta energy: -30.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -465.834113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.834113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.834113 (E_RNA)
where:
Base-Base interactions energy: -230.954
where: short stacking energy: -135.352
Base-Backbone interact. energy: -0.420
local terms energy: -234.460742
where:
bonds (distance) C4'-P energy: -56.133
bonds (distance) P-C4' energy: -62.171
flat angles C4'-P-C4' energy: -79.250
flat angles P-C4'-P energy: -35.598
tors. eta vs tors. theta energy: -1.309
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: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1554.901779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.901779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.901779 (E_RNA)
where:
Base-Base interactions energy: -1072.363
where: short stacking energy: -454.762
Base-Backbone interact. energy: -1.604
local terms energy: -480.935647
where:
bonds (distance) C4'-P energy: -91.424
bonds (distance) P-C4' energy: -100.266
flat angles C4'-P-C4' energy: -99.717
flat angles P-C4'-P energy: -71.373
tors. eta vs tors. theta energy: -118.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1509.357521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.357521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.357521 (E_RNA)
where:
Base-Base interactions energy: -1073.030
where: short stacking energy: -444.034
Base-Backbone interact. energy: -1.566
local terms energy: -434.761142
where:
bonds (distance) C4'-P energy: -79.047
bonds (distance) P-C4' energy: -89.917
flat angles C4'-P-C4' energy: -93.482
flat angles P-C4'-P energy: -57.312
tors. eta vs tors. theta energy: -115.004
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: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1458.834970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.834970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.834970 (E_RNA)
where:
Base-Base interactions energy: -978.870
where: short stacking energy: -447.778
Base-Backbone interact. energy: 2.601
local terms energy: -482.566240
where:
bonds (distance) C4'-P energy: -95.259
bonds (distance) P-C4' energy: -91.639
flat angles C4'-P-C4' energy: -98.076
flat angles P-C4'-P energy: -60.613
tors. eta vs tors. theta energy: -136.979
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: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1369.726212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.726212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.726212 (E_RNA)
where:
Base-Base interactions energy: -925.027
where: short stacking energy: -399.800
Base-Backbone interact. energy: -1.697
local terms energy: -443.002141
where:
bonds (distance) C4'-P energy: -89.196
bonds (distance) P-C4' energy: -95.779
flat angles C4'-P-C4' energy: -96.846
flat angles P-C4'-P energy: -54.505
tors. eta vs tors. theta energy: -106.677
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: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1228.167232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.167232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.167232 (E_RNA)
where:
Base-Base interactions energy: -828.652
where: short stacking energy: -342.864
Base-Backbone interact. energy: 2.851
local terms energy: -402.366496
where:
bonds (distance) C4'-P energy: -82.461
bonds (distance) P-C4' energy: -87.887
flat angles C4'-P-C4' energy: -94.646
flat angles P-C4'-P energy: -50.649
tors. eta vs tors. theta energy: -86.724
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: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1217.220072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.220072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.220072 (E_RNA)
where:
Base-Base interactions energy: -831.277
where: short stacking energy: -350.994
Base-Backbone interact. energy: 2.647
local terms energy: -388.590152
where:
bonds (distance) C4'-P energy: -87.761
bonds (distance) P-C4' energy: -77.820
flat angles C4'-P-C4' energy: -83.520
flat angles P-C4'-P energy: -59.741
tors. eta vs tors. theta energy: -79.748
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: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1118.954420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.954420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.954420 (E_RNA)
where:
Base-Base interactions energy: -752.776
where: short stacking energy: -330.736
Base-Backbone interact. energy: 1.468
local terms energy: -367.646435
where:
bonds (distance) C4'-P energy: -76.686
bonds (distance) P-C4' energy: -80.551
flat angles C4'-P-C4' energy: -80.485
flat angles P-C4'-P energy: -45.855
tors. eta vs tors. theta energy: -84.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -890.721596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.721596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.721596 (E_RNA)
where:
Base-Base interactions energy: -567.700
where: short stacking energy: -252.312
Base-Backbone interact. energy: 0.618
local terms energy: -323.639045
where:
bonds (distance) C4'-P energy: -64.854
bonds (distance) P-C4' energy: -82.417
flat angles C4'-P-C4' energy: -82.411
flat angles P-C4'-P energy: -47.396
tors. eta vs tors. theta energy: -46.561
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: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -770.236439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.236439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.236439 (E_RNA)
where:
Base-Base interactions energy: -483.938
where: short stacking energy: -233.509
Base-Backbone interact. energy: 1.150
local terms energy: -287.447969
where:
bonds (distance) C4'-P energy: -59.851
bonds (distance) P-C4' energy: -85.604
flat angles C4'-P-C4' energy: -75.712
flat angles P-C4'-P energy: -43.073
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -455.063459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.063459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.063459 (E_RNA)
where:
Base-Base interactions energy: -219.960
where: short stacking energy: -110.661
Base-Backbone interact. energy: -2.592
local terms energy: -232.511409
where:
bonds (distance) C4'-P energy: -73.992
bonds (distance) P-C4' energy: -88.568
flat angles C4'-P-C4' energy: -51.987
flat angles P-C4'-P energy: -42.384
tors. eta vs tors. theta energy: 24.420
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: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1547.533115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.533115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.533115 (E_RNA)
where:
Base-Base interactions energy: -1087.831
where: short stacking energy: -442.161
Base-Backbone interact. energy: -2.900
local terms energy: -456.802115
where:
bonds (distance) C4'-P energy: -92.629
bonds (distance) P-C4' energy: -88.575
flat angles C4'-P-C4' energy: -89.246
flat angles P-C4'-P energy: -72.617
tors. eta vs tors. theta energy: -113.735
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: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1518.609373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.609373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.609373 (E_RNA)
where:
Base-Base interactions energy: -1064.605
where: short stacking energy: -428.607
Base-Backbone interact. energy: 0.226
local terms energy: -454.229497
where:
bonds (distance) C4'-P energy: -84.119
bonds (distance) P-C4' energy: -93.375
flat angles C4'-P-C4' energy: -101.868
flat angles P-C4'-P energy: -59.432
tors. eta vs tors. theta energy: -115.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1454.767869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.767869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.767869 (E_RNA)
where:
Base-Base interactions energy: -984.353
where: short stacking energy: -444.952
Base-Backbone interact. energy: -1.396
local terms energy: -469.018375
where:
bonds (distance) C4'-P energy: -80.224
bonds (distance) P-C4' energy: -87.138
flat angles C4'-P-C4' energy: -106.584
flat angles P-C4'-P energy: -66.736
tors. eta vs tors. theta energy: -128.337
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: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1376.046004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.046004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.046004 (E_RNA)
where:
Base-Base interactions energy: -939.996
where: short stacking energy: -392.463
Base-Backbone interact. energy: -3.710
local terms energy: -432.339862
where:
bonds (distance) C4'-P energy: -75.777
bonds (distance) P-C4' energy: -91.223
flat angles C4'-P-C4' energy: -102.346
flat angles P-C4'-P energy: -62.825
tors. eta vs tors. theta energy: -100.169
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: 290
Temperature: 1.100000
Total energy: -1266.277184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.277184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.277184 (E_RNA)
where:
Base-Base interactions energy: -851.434
where: short stacking energy: -359.495
Base-Backbone interact. energy: -1.094
local terms energy: -413.748857
where:
bonds (distance) C4'-P energy: -88.777
bonds (distance) P-C4' energy: -90.873
flat angles C4'-P-C4' energy: -83.053
flat angles P-C4'-P energy: -55.741
tors. eta vs tors. theta energy: -95.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1150.172438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.172438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.172438 (E_RNA)
where:
Base-Base interactions energy: -772.060
where: short stacking energy: -339.940
Base-Backbone interact. energy: 2.790
local terms energy: -380.902834
where:
bonds (distance) C4'-P energy: -74.487
bonds (distance) P-C4' energy: -95.651
flat angles C4'-P-C4' energy: -80.485
flat angles P-C4'-P energy: -59.636
tors. eta vs tors. theta energy: -70.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1077.838795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.838795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.838795 (E_RNA)
where:
Base-Base interactions energy: -714.461
where: short stacking energy: -320.154
Base-Backbone interact. energy: -1.865
local terms energy: -361.512685
where:
bonds (distance) C4'-P energy: -75.602
bonds (distance) P-C4' energy: -68.300
flat angles C4'-P-C4' energy: -78.283
flat angles P-C4'-P energy: -58.839
tors. eta vs tors. theta energy: -80.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -877.927447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.927447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.927447 (E_RNA)
where:
Base-Base interactions energy: -563.979
where: short stacking energy: -271.951
Base-Backbone interact. energy: 4.314
local terms energy: -318.263038
where:
bonds (distance) C4'-P energy: -71.311
bonds (distance) P-C4' energy: -80.908
flat angles C4'-P-C4' energy: -67.251
flat angles P-C4'-P energy: -50.401
tors. eta vs tors. theta energy: -48.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -813.061409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.061409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.061409 (E_RNA)
where:
Base-Base interactions energy: -493.838
where: short stacking energy: -248.432
Base-Backbone interact. energy: -0.021
local terms energy: -319.201911
where:
bonds (distance) C4'-P energy: -77.390
bonds (distance) P-C4' energy: -84.610
flat angles C4'-P-C4' energy: -76.029
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -45.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -458.454991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.454991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.454991 (E_RNA)
where:
Base-Base interactions energy: -201.213
where: short stacking energy: -130.249
Base-Backbone interact. energy: -1.609
local terms energy: -255.633062
where:
bonds (distance) C4'-P energy: -82.702
bonds (distance) P-C4' energy: -67.919
flat angles C4'-P-C4' energy: -62.450
flat angles P-C4'-P energy: -47.105
tors. eta vs tors. theta energy: 4.542
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: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1541.482997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.482997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.482997 (E_RNA)
where:
Base-Base interactions energy: -1091.047
where: short stacking energy: -452.709
Base-Backbone interact. energy: 0.660
local terms energy: -451.095630
where:
bonds (distance) C4'-P energy: -86.628
bonds (distance) P-C4' energy: -87.797
flat angles C4'-P-C4' energy: -98.430
flat angles P-C4'-P energy: -62.355
tors. eta vs tors. theta energy: -115.887
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: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1543.040904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.040904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.040904 (E_RNA)
where:
Base-Base interactions energy: -1063.083
where: short stacking energy: -433.525
Base-Backbone interact. energy: -1.090
local terms energy: -478.867895
where:
bonds (distance) C4'-P energy: -84.243
bonds (distance) P-C4' energy: -94.512
flat angles C4'-P-C4' energy: -109.380
flat angles P-C4'-P energy: -68.027
tors. eta vs tors. theta energy: -122.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1436.001380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.001380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.001380 (E_RNA)
where:
Base-Base interactions energy: -985.702
where: short stacking energy: -432.698
Base-Backbone interact. energy: 0.022
local terms energy: -450.321783
where:
bonds (distance) C4'-P energy: -80.142
bonds (distance) P-C4' energy: -83.525
flat angles C4'-P-C4' energy: -106.434
flat angles P-C4'-P energy: -58.155
tors. eta vs tors. theta energy: -122.066
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: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1388.430355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.430355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.430355 (E_RNA)
where:
Base-Base interactions energy: -971.232
where: short stacking energy: -425.510
Base-Backbone interact. energy: 0.121
local terms energy: -417.319329
where:
bonds (distance) C4'-P energy: -87.863
bonds (distance) P-C4' energy: -79.704
flat angles C4'-P-C4' energy: -86.762
flat angles P-C4'-P energy: -66.354
tors. eta vs tors. theta energy: -96.636
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: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1272.592347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.592347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.592347 (E_RNA)
where:
Base-Base interactions energy: -881.669
where: short stacking energy: -385.962
Base-Backbone interact. energy: -1.001
local terms energy: -389.923098
where:
bonds (distance) C4'-P energy: -72.558
bonds (distance) P-C4' energy: -78.337
flat angles C4'-P-C4' energy: -82.839
flat angles P-C4'-P energy: -57.477
tors. eta vs tors. theta energy: -98.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1133.467629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.467629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.467629 (E_RNA)
where:
Base-Base interactions energy: -753.076
where: short stacking energy: -334.954
Base-Backbone interact. energy: 4.590
local terms energy: -384.982198
where:
bonds (distance) C4'-P energy: -69.707
bonds (distance) P-C4' energy: -89.838
flat angles C4'-P-C4' energy: -89.997
flat angles P-C4'-P energy: -59.769
tors. eta vs tors. theta energy: -75.671
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: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1057.528610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.528610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.528610 (E_RNA)
where:
Base-Base interactions energy: -699.106
where: short stacking energy: -300.616
Base-Backbone interact. energy: 1.599
local terms energy: -360.021599
where:
bonds (distance) C4'-P energy: -70.195
bonds (distance) P-C4' energy: -78.519
flat angles C4'-P-C4' energy: -84.346
flat angles P-C4'-P energy: -61.134
tors. eta vs tors. theta energy: -65.828
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: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -876.755319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.755319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.755319 (E_RNA)
where:
Base-Base interactions energy: -538.722
where: short stacking energy: -270.486
Base-Backbone interact. energy: 4.655
local terms energy: -342.688075
where:
bonds (distance) C4'-P energy: -76.351
bonds (distance) P-C4' energy: -86.817
flat angles C4'-P-C4' energy: -81.214
flat angles P-C4'-P energy: -45.295
tors. eta vs tors. theta energy: -53.010
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: 291
Temperature: 1.300000
Total energy: -817.545013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.545013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.545013 (E_RNA)
where:
Base-Base interactions energy: -501.586
where: short stacking energy: -246.723
Base-Backbone interact. energy: 3.464
local terms energy: -319.423031
where:
bonds (distance) C4'-P energy: -58.643
bonds (distance) P-C4' energy: -84.476
flat angles C4'-P-C4' energy: -73.394
flat angles P-C4'-P energy: -45.074
tors. eta vs tors. theta energy: -57.836
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: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -464.785137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.785137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.785137 (E_RNA)
where:
Base-Base interactions energy: -207.977
where: short stacking energy: -124.159
Base-Backbone interact. energy: -1.931
local terms energy: -254.876310
where:
bonds (distance) C4'-P energy: -70.590
bonds (distance) P-C4' energy: -70.675
flat angles C4'-P-C4' energy: -76.045
flat angles P-C4'-P energy: -43.481
tors. eta vs tors. theta energy: 5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1551.160025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.160025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.160025 (E_RNA)
where:
Base-Base interactions energy: -1090.685
where: short stacking energy: -431.080
Base-Backbone interact. energy: 4.131
local terms energy: -464.606093
where:
bonds (distance) C4'-P energy: -90.900
bonds (distance) P-C4' energy: -101.014
flat angles C4'-P-C4' energy: -103.811
flat angles P-C4'-P energy: -56.464
tors. eta vs tors. theta energy: -112.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1507.376277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.376277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.376277 (E_RNA)
where:
Base-Base interactions energy: -1039.913
where: short stacking energy: -424.440
Base-Backbone interact. energy: -1.000
local terms energy: -466.463453
where:
bonds (distance) C4'-P energy: -87.842
bonds (distance) P-C4' energy: -99.756
flat angles C4'-P-C4' energy: -83.957
flat angles P-C4'-P energy: -71.015
tors. eta vs tors. theta energy: -123.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1439.388860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.388860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.388860 (E_RNA)
where:
Base-Base interactions energy: -972.649
where: short stacking energy: -441.700
Base-Backbone interact. energy: 2.283
local terms energy: -469.022151
where:
bonds (distance) C4'-P energy: -83.862
bonds (distance) P-C4' energy: -100.064
flat angles C4'-P-C4' energy: -93.529
flat angles P-C4'-P energy: -71.545
tors. eta vs tors. theta energy: -120.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1404.587810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.587810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.587810 (E_RNA)
where:
Base-Base interactions energy: -970.171
where: short stacking energy: -428.440
Base-Backbone interact. energy: -1.451
local terms energy: -432.965679
where:
bonds (distance) C4'-P energy: -73.040
bonds (distance) P-C4' energy: -96.555
flat angles C4'-P-C4' energy: -87.661
flat angles P-C4'-P energy: -60.379
tors. eta vs tors. theta energy: -115.331
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: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1280.711291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.711291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.711291 (E_RNA)
where:
Base-Base interactions energy: -881.064
where: short stacking energy: -387.692
Base-Backbone interact. energy: -0.155
local terms energy: -399.493162
where:
bonds (distance) C4'-P energy: -79.631
bonds (distance) P-C4' energy: -81.284
flat angles C4'-P-C4' energy: -81.052
flat angles P-C4'-P energy: -59.658
tors. eta vs tors. theta energy: -97.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1172.837566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.837566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.837566 (E_RNA)
where:
Base-Base interactions energy: -800.369
where: short stacking energy: -336.956
Base-Backbone interact. energy: -3.724
local terms energy: -368.743925
where:
bonds (distance) C4'-P energy: -70.905
bonds (distance) P-C4' energy: -89.882
flat angles C4'-P-C4' energy: -75.312
flat angles P-C4'-P energy: -58.065
tors. eta vs tors. theta energy: -74.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1049.241447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.241447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.241447 (E_RNA)
where:
Base-Base interactions energy: -695.878
where: short stacking energy: -322.474
Base-Backbone interact. energy: -1.323
local terms energy: -352.040577
where:
bonds (distance) C4'-P energy: -80.791
bonds (distance) P-C4' energy: -77.556
flat angles C4'-P-C4' energy: -80.854
flat angles P-C4'-P energy: -43.688
tors. eta vs tors. theta energy: -69.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -826.144891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.144891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.144891 (E_RNA)
where:
Base-Base interactions energy: -510.575
where: short stacking energy: -237.897
Base-Backbone interact. energy: -4.189
local terms energy: -311.381064
where:
bonds (distance) C4'-P energy: -79.440
bonds (distance) P-C4' energy: -80.499
flat angles C4'-P-C4' energy: -73.021
flat angles P-C4'-P energy: -51.615
tors. eta vs tors. theta energy: -26.806
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: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -786.682695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.682695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.682695 (E_RNA)
where:
Base-Base interactions energy: -488.348
where: short stacking energy: -228.756
Base-Backbone interact. energy: 0.511
local terms energy: -298.845061
where:
bonds (distance) C4'-P energy: -75.530
bonds (distance) P-C4' energy: -78.382
flat angles C4'-P-C4' energy: -68.192
flat angles P-C4'-P energy: -48.367
tors. eta vs tors. theta energy: -28.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -460.571936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.571936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.571936 (E_RNA)
where:
Base-Base interactions energy: -225.776
where: short stacking energy: -124.606
Base-Backbone interact. energy: 1.573
local terms energy: -236.368358
where:
bonds (distance) C4'-P energy: -62.272
bonds (distance) P-C4' energy: -76.373
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -47.976
tors. eta vs tors. theta energy: 22.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1560.412295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.412295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.412295 (E_RNA)
where:
Base-Base interactions energy: -1100.017
where: short stacking energy: -448.477
Base-Backbone interact. energy: -1.186
local terms energy: -459.209263
where:
bonds (distance) C4'-P energy: -83.985
bonds (distance) P-C4' energy: -95.375
flat angles C4'-P-C4' energy: -102.126
flat angles P-C4'-P energy: -57.558
tors. eta vs tors. theta energy: -120.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1492.524242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.524242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.524242 (E_RNA)
where:
Base-Base interactions energy: -1030.426
where: short stacking energy: -438.358
Base-Backbone interact. energy: -2.321
local terms energy: -459.776479
where:
bonds (distance) C4'-P energy: -84.085
bonds (distance) P-C4' energy: -86.999
flat angles C4'-P-C4' energy: -99.596
flat angles P-C4'-P energy: -74.297
tors. eta vs tors. theta energy: -114.799
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: 293
Temperature: 1.000000
Total energy: -1448.407824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.407824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.407824 (E_RNA)
where:
Base-Base interactions energy: -998.646
where: short stacking energy: -464.414
Base-Backbone interact. energy: 1.155
local terms energy: -450.917042
where:
bonds (distance) C4'-P energy: -79.250
bonds (distance) P-C4' energy: -82.364
flat angles C4'-P-C4' energy: -106.719
flat angles P-C4'-P energy: -62.993
tors. eta vs tors. theta energy: -119.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1392.869953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.869953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.869953 (E_RNA)
where:
Base-Base interactions energy: -947.022
where: short stacking energy: -412.718
Base-Backbone interact. energy: -2.271
local terms energy: -443.577226
where:
bonds (distance) C4'-P energy: -79.605
bonds (distance) P-C4' energy: -91.611
flat angles C4'-P-C4' energy: -89.357
flat angles P-C4'-P energy: -64.176
tors. eta vs tors. theta energy: -118.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1262.792127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.792127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.792127 (E_RNA)
where:
Base-Base interactions energy: -847.444
where: short stacking energy: -367.953
Base-Backbone interact. energy: 0.985
local terms energy: -416.333267
where:
bonds (distance) C4'-P energy: -82.590
bonds (distance) P-C4' energy: -88.401
flat angles C4'-P-C4' energy: -86.051
flat angles P-C4'-P energy: -63.619
tors. eta vs tors. theta energy: -95.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1189.463138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.463138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.463138 (E_RNA)
where:
Base-Base interactions energy: -791.286
where: short stacking energy: -321.546
Base-Backbone interact. energy: 0.781
local terms energy: -398.957649
where:
bonds (distance) C4'-P energy: -87.582
bonds (distance) P-C4' energy: -81.547
flat angles C4'-P-C4' energy: -80.309
flat angles P-C4'-P energy: -58.057
tors. eta vs tors. theta energy: -91.462
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: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1029.170726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.170726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.170726 (E_RNA)
where:
Base-Base interactions energy: -674.858
where: short stacking energy: -296.040
Base-Backbone interact. energy: 2.065
local terms energy: -356.377428
where:
bonds (distance) C4'-P energy: -75.337
bonds (distance) P-C4' energy: -88.757
flat angles C4'-P-C4' energy: -73.209
flat angles P-C4'-P energy: -55.579
tors. eta vs tors. theta energy: -63.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -780.047013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.047013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.047013 (E_RNA)
where:
Base-Base interactions energy: -464.880
where: short stacking energy: -214.790
Base-Backbone interact. energy: 3.314
local terms energy: -318.480728
where:
bonds (distance) C4'-P energy: -78.970
bonds (distance) P-C4' energy: -78.145
flat angles C4'-P-C4' energy: -86.784
flat angles P-C4'-P energy: -43.495
tors. eta vs tors. theta energy: -31.087
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: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -786.664226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.664226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.664226 (E_RNA)
where:
Base-Base interactions energy: -482.890
where: short stacking energy: -224.429
Base-Backbone interact. energy: 0.502
local terms energy: -304.276379
where:
bonds (distance) C4'-P energy: -86.548
bonds (distance) P-C4' energy: -90.041
flat angles C4'-P-C4' energy: -58.868
flat angles P-C4'-P energy: -35.971
tors. eta vs tors. theta energy: -32.850
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: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -452.609932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.609932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.609932 (E_RNA)
where:
Base-Base interactions energy: -214.106
where: short stacking energy: -130.448
Base-Backbone interact. energy: 5.083
local terms energy: -243.586977
where:
bonds (distance) C4'-P energy: -48.877
bonds (distance) P-C4' energy: -78.584
flat angles C4'-P-C4' energy: -66.645
flat angles P-C4'-P energy: -45.199
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: 1, replica: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1542.720894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.720894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.720894 (E_RNA)
where:
Base-Base interactions energy: -1092.994
where: short stacking energy: -442.805
Base-Backbone interact. energy: -2.007
local terms energy: -447.719413
where:
bonds (distance) C4'-P energy: -92.323
bonds (distance) P-C4' energy: -90.241
flat angles C4'-P-C4' energy: -86.948
flat angles P-C4'-P energy: -60.813
tors. eta vs tors. theta energy: -117.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1486.069125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.069125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.069125 (E_RNA)
where:
Base-Base interactions energy: -1040.133
where: short stacking energy: -444.685
Base-Backbone interact. energy: -2.134
local terms energy: -443.801608
where:
bonds (distance) C4'-P energy: -94.010
bonds (distance) P-C4' energy: -76.242
flat angles C4'-P-C4' energy: -102.401
flat angles P-C4'-P energy: -55.691
tors. eta vs tors. theta energy: -115.457
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: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1429.179114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.179114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.179114 (E_RNA)
where:
Base-Base interactions energy: -959.466
where: short stacking energy: -431.493
Base-Backbone interact. energy: -3.577
local terms energy: -466.136898
where:
bonds (distance) C4'-P energy: -92.527
bonds (distance) P-C4' energy: -86.799
flat angles C4'-P-C4' energy: -95.416
flat angles P-C4'-P energy: -72.085
tors. eta vs tors. theta energy: -119.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1377.597619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.597619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.597619 (E_RNA)
where:
Base-Base interactions energy: -948.037
where: short stacking energy: -420.201
Base-Backbone interact. energy: -2.998
local terms energy: -426.562957
where:
bonds (distance) C4'-P energy: -87.311
bonds (distance) P-C4' energy: -84.381
flat angles C4'-P-C4' energy: -90.453
flat angles P-C4'-P energy: -59.196
tors. eta vs tors. theta energy: -105.222
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: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1233.064790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.064790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.064790 (E_RNA)
where:
Base-Base interactions energy: -821.695
where: short stacking energy: -349.900
Base-Backbone interact. energy: -2.048
local terms energy: -409.321498
where:
bonds (distance) C4'-P energy: -75.601
bonds (distance) P-C4' energy: -90.150
flat angles C4'-P-C4' energy: -95.863
flat angles P-C4'-P energy: -57.042
tors. eta vs tors. theta energy: -90.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1169.733174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.733174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.733174 (E_RNA)
where:
Base-Base interactions energy: -786.027
where: short stacking energy: -329.611
Base-Backbone interact. energy: -2.513
local terms energy: -381.193316
where:
bonds (distance) C4'-P energy: -80.656
bonds (distance) P-C4' energy: -83.850
flat angles C4'-P-C4' energy: -83.646
flat angles P-C4'-P energy: -53.756
tors. eta vs tors. theta energy: -79.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1075.428112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.428112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.428112 (E_RNA)
where:
Base-Base interactions energy: -717.054
where: short stacking energy: -325.483
Base-Backbone interact. energy: 6.869
local terms energy: -365.243827
where:
bonds (distance) C4'-P energy: -83.311
bonds (distance) P-C4' energy: -69.381
flat angles C4'-P-C4' energy: -86.296
flat angles P-C4'-P energy: -54.170
tors. eta vs tors. theta energy: -72.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -787.815224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.815224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.815224 (E_RNA)
where:
Base-Base interactions energy: -468.884
where: short stacking energy: -231.465
Base-Backbone interact. energy: -2.252
local terms energy: -316.678494
where:
bonds (distance) C4'-P energy: -78.669
bonds (distance) P-C4' energy: -87.080
flat angles C4'-P-C4' energy: -63.562
flat angles P-C4'-P energy: -57.271
tors. eta vs tors. theta energy: -30.097
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: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -790.542984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.542984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.542984 (E_RNA)
where:
Base-Base interactions energy: -492.623
where: short stacking energy: -241.489
Base-Backbone interact. energy: -2.047
local terms energy: -295.872335
where:
bonds (distance) C4'-P energy: -74.425
bonds (distance) P-C4' energy: -69.925
flat angles C4'-P-C4' energy: -75.124
flat angles P-C4'-P energy: -38.465
tors. eta vs tors. theta energy: -37.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -469.940011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.940011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.940011 (E_RNA)
where:
Base-Base interactions energy: -217.327
where: short stacking energy: -125.209
Base-Backbone interact. energy: 2.228
local terms energy: -254.841709
where:
bonds (distance) C4'-P energy: -73.987
bonds (distance) P-C4' energy: -88.649
flat angles C4'-P-C4' energy: -63.900
flat angles P-C4'-P energy: -32.327
tors. eta vs tors. theta energy: 4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1551.034075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.034075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.034075 (E_RNA)
where:
Base-Base interactions energy: -1072.489
where: short stacking energy: -452.297
Base-Backbone interact. energy: -4.552
local terms energy: -473.993205
where:
bonds (distance) C4'-P energy: -83.481
bonds (distance) P-C4' energy: -93.128
flat angles C4'-P-C4' energy: -103.827
flat angles P-C4'-P energy: -72.792
tors. eta vs tors. theta energy: -120.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1512.582960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.582960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.582960 (E_RNA)
where:
Base-Base interactions energy: -1051.509
where: short stacking energy: -446.186
Base-Backbone interact. energy: -1.180
local terms energy: -459.893537
where:
bonds (distance) C4'-P energy: -88.158
bonds (distance) P-C4' energy: -98.997
flat angles C4'-P-C4' energy: -91.523
flat angles P-C4'-P energy: -64.011
tors. eta vs tors. theta energy: -117.204
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: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1431.397908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.397908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.397908 (E_RNA)
where:
Base-Base interactions energy: -953.769
where: short stacking energy: -429.331
Base-Backbone interact. energy: -1.739
local terms energy: -475.890312
where:
bonds (distance) C4'-P energy: -91.576
bonds (distance) P-C4' energy: -80.208
flat angles C4'-P-C4' energy: -106.981
flat angles P-C4'-P energy: -72.561
tors. eta vs tors. theta energy: -124.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1393.924997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.924997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.924997 (E_RNA)
where:
Base-Base interactions energy: -970.740
where: short stacking energy: -406.579
Base-Backbone interact. energy: 4.668
local terms energy: -427.852996
where:
bonds (distance) C4'-P energy: -86.427
bonds (distance) P-C4' energy: -76.910
flat angles C4'-P-C4' energy: -91.354
flat angles P-C4'-P energy: -69.667
tors. eta vs tors. theta energy: -103.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1265.753621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.753621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.753621 (E_RNA)
where:
Base-Base interactions energy: -852.183
where: short stacking energy: -382.831
Base-Backbone interact. energy: -2.359
local terms energy: -411.212501
where:
bonds (distance) C4'-P energy: -82.134
bonds (distance) P-C4' energy: -69.030
flat angles C4'-P-C4' energy: -97.555
flat angles P-C4'-P energy: -59.945
tors. eta vs tors. theta energy: -102.550
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: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1179.019750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.019750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.019750 (E_RNA)
where:
Base-Base interactions energy: -765.143
where: short stacking energy: -337.213
Base-Backbone interact. energy: 0.390
local terms energy: -414.266971
where:
bonds (distance) C4'-P energy: -81.149
bonds (distance) P-C4' energy: -85.008
flat angles C4'-P-C4' energy: -92.085
flat angles P-C4'-P energy: -64.930
tors. eta vs tors. theta energy: -91.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1117.820185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.820185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.820185 (E_RNA)
where:
Base-Base interactions energy: -753.555
where: short stacking energy: -321.794
Base-Backbone interact. energy: -3.837
local terms energy: -360.427657
where:
bonds (distance) C4'-P energy: -72.450
bonds (distance) P-C4' energy: -87.281
flat angles C4'-P-C4' energy: -95.492
flat angles P-C4'-P energy: -36.015
tors. eta vs tors. theta energy: -69.190
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: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -847.475304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.475304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.475304 (E_RNA)
where:
Base-Base interactions energy: -525.249
where: short stacking energy: -270.550
Base-Backbone interact. energy: 0.598
local terms energy: -322.823818
where:
bonds (distance) C4'-P energy: -69.800
bonds (distance) P-C4' energy: -84.307
flat angles C4'-P-C4' energy: -67.825
flat angles P-C4'-P energy: -51.336
tors. eta vs tors. theta energy: -49.556
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: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -736.549789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.549789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.549789 (E_RNA)
where:
Base-Base interactions energy: -424.607
where: short stacking energy: -207.904
Base-Backbone interact. energy: -1.473
local terms energy: -310.470442
where:
bonds (distance) C4'-P energy: -75.250
bonds (distance) P-C4' energy: -75.088
flat angles C4'-P-C4' energy: -82.564
flat angles P-C4'-P energy: -43.355
tors. eta vs tors. theta energy: -34.212
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: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -464.627272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.627272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.627272 (E_RNA)
where:
Base-Base interactions energy: -219.338
where: short stacking energy: -118.302
Base-Backbone interact. energy: 2.389
local terms energy: -247.678880
where:
bonds (distance) C4'-P energy: -77.424
bonds (distance) P-C4' energy: -84.904
flat angles C4'-P-C4' energy: -53.938
flat angles P-C4'-P energy: -32.483
tors. eta vs tors. theta energy: 1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1539.408197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.408197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.408197 (E_RNA)
where:
Base-Base interactions energy: -1067.936
where: short stacking energy: -445.085
Base-Backbone interact. energy: 2.188
local terms energy: -473.660660
where:
bonds (distance) C4'-P energy: -90.341
bonds (distance) P-C4' energy: -96.277
flat angles C4'-P-C4' energy: -103.100
flat angles P-C4'-P energy: -64.742
tors. eta vs tors. theta energy: -119.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1513.970051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.970051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.970051 (E_RNA)
where:
Base-Base interactions energy: -1054.292
where: short stacking energy: -475.609
Base-Backbone interact. energy: -2.242
local terms energy: -457.435932
where:
bonds (distance) C4'-P energy: -83.561
bonds (distance) P-C4' energy: -86.798
flat angles C4'-P-C4' energy: -100.942
flat angles P-C4'-P energy: -66.627
tors. eta vs tors. theta energy: -119.508
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: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1450.395021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.395021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.395021 (E_RNA)
where:
Base-Base interactions energy: -989.157
where: short stacking energy: -441.637
Base-Backbone interact. energy: -2.135
local terms energy: -459.103221
where:
bonds (distance) C4'-P energy: -82.822
bonds (distance) P-C4' energy: -79.661
flat angles C4'-P-C4' energy: -98.839
flat angles P-C4'-P energy: -67.143
tors. eta vs tors. theta energy: -130.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1406.938019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.938019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.938019 (E_RNA)
where:
Base-Base interactions energy: -960.508
where: short stacking energy: -411.757
Base-Backbone interact. energy: -2.476
local terms energy: -443.953121
where:
bonds (distance) C4'-P energy: -82.024
bonds (distance) P-C4' energy: -85.186
flat angles C4'-P-C4' energy: -99.478
flat angles P-C4'-P energy: -68.014
tors. eta vs tors. theta energy: -109.252
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: 296
Temperature: 1.100000
Total energy: -1284.129297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.129297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.129297 (E_RNA)
where:
Base-Base interactions energy: -870.877
where: short stacking energy: -371.622
Base-Backbone interact. energy: -1.411
local terms energy: -411.841430
where:
bonds (distance) C4'-P energy: -64.398
bonds (distance) P-C4' energy: -83.565
flat angles C4'-P-C4' energy: -94.322
flat angles P-C4'-P energy: -73.140
tors. eta vs tors. theta energy: -96.416
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: 296
Temperature: 1.150000
Total energy: -1241.748411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.748411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.748411 (E_RNA)
where:
Base-Base interactions energy: -854.264
where: short stacking energy: -367.673
Base-Backbone interact. energy: -0.488
local terms energy: -386.996954
where:
bonds (distance) C4'-P energy: -70.707
bonds (distance) P-C4' energy: -84.044
flat angles C4'-P-C4' energy: -81.153
flat angles P-C4'-P energy: -64.037
tors. eta vs tors. theta energy: -87.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1097.735483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.735483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.735483 (E_RNA)
where:
Base-Base interactions energy: -720.694
where: short stacking energy: -304.758
Base-Backbone interact. energy: -0.326
local terms energy: -376.714660
where:
bonds (distance) C4'-P energy: -83.797
bonds (distance) P-C4' energy: -81.390
flat angles C4'-P-C4' energy: -89.304
flat angles P-C4'-P energy: -47.637
tors. eta vs tors. theta energy: -74.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -891.778821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.778821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.778821 (E_RNA)
where:
Base-Base interactions energy: -552.424
where: short stacking energy: -259.032
Base-Backbone interact. energy: 0.556
local terms energy: -339.910276
where:
bonds (distance) C4'-P energy: -88.450
bonds (distance) P-C4' energy: -85.146
flat angles C4'-P-C4' energy: -60.157
flat angles P-C4'-P energy: -54.584
tors. eta vs tors. theta energy: -51.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -750.557260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.557260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.557260 (E_RNA)
where:
Base-Base interactions energy: -439.071
where: short stacking energy: -211.263
Base-Backbone interact. energy: -0.696
local terms energy: -310.790747
where:
bonds (distance) C4'-P energy: -77.360
bonds (distance) P-C4' energy: -82.014
flat angles C4'-P-C4' energy: -68.105
flat angles P-C4'-P energy: -50.041
tors. eta vs tors. theta energy: -33.270
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: 296
Temperature: 1.350000
Total energy: -564.833876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.833876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.833876 (E_RNA)
where:
Base-Base interactions energy: -317.548
where: short stacking energy: -195.780
Base-Backbone interact. energy: -1.141
local terms energy: -246.144937
where:
bonds (distance) C4'-P energy: -58.345
bonds (distance) P-C4' energy: -68.625
flat angles C4'-P-C4' energy: -69.233
flat angles P-C4'-P energy: -43.735
tors. eta vs tors. theta energy: -6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1565.642436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.642436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.642436 (E_RNA)
where:
Base-Base interactions energy: -1098.088
where: short stacking energy: -464.629
Base-Backbone interact. energy: -3.314
local terms energy: -464.240951
where:
bonds (distance) C4'-P energy: -80.973
bonds (distance) P-C4' energy: -101.421
flat angles C4'-P-C4' energy: -97.519
flat angles P-C4'-P energy: -54.182
tors. eta vs tors. theta energy: -130.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1494.213557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.213557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.213557 (E_RNA)
where:
Base-Base interactions energy: -1030.268
where: short stacking energy: -421.717
Base-Backbone interact. energy: -2.295
local terms energy: -461.650636
where:
bonds (distance) C4'-P energy: -84.652
bonds (distance) P-C4' energy: -87.295
flat angles C4'-P-C4' energy: -102.464
flat angles P-C4'-P energy: -74.548
tors. eta vs tors. theta energy: -112.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1428.135222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.135222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.135222 (E_RNA)
where:
Base-Base interactions energy: -968.094
where: short stacking energy: -446.779
Base-Backbone interact. energy: 1.236
local terms energy: -461.277335
where:
bonds (distance) C4'-P energy: -89.646
bonds (distance) P-C4' energy: -97.054
flat angles C4'-P-C4' energy: -95.238
flat angles P-C4'-P energy: -58.670
tors. eta vs tors. theta energy: -120.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1385.674153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.674153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.674153 (E_RNA)
where:
Base-Base interactions energy: -947.828
where: short stacking energy: -419.124
Base-Backbone interact. energy: -3.418
local terms energy: -434.428362
where:
bonds (distance) C4'-P energy: -75.695
bonds (distance) P-C4' energy: -97.951
flat angles C4'-P-C4' energy: -87.183
flat angles P-C4'-P energy: -71.070
tors. eta vs tors. theta energy: -102.530
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: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1298.666894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.666894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.666894 (E_RNA)
where:
Base-Base interactions energy: -882.086
where: short stacking energy: -356.861
Base-Backbone interact. energy: -2.129
local terms energy: -414.451817
where:
bonds (distance) C4'-P energy: -87.598
bonds (distance) P-C4' energy: -90.493
flat angles C4'-P-C4' energy: -90.268
flat angles P-C4'-P energy: -57.192
tors. eta vs tors. theta energy: -88.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1199.130917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.130917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.130917 (E_RNA)
where:
Base-Base interactions energy: -822.127
where: short stacking energy: -358.313
Base-Backbone interact. energy: -2.073
local terms energy: -374.931106
where:
bonds (distance) C4'-P energy: -73.727
bonds (distance) P-C4' energy: -70.625
flat angles C4'-P-C4' energy: -84.243
flat angles P-C4'-P energy: -57.062
tors. eta vs tors. theta energy: -89.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1099.046390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.046390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.046390 (E_RNA)
where:
Base-Base interactions energy: -722.261
where: short stacking energy: -311.062
Base-Backbone interact. energy: -0.622
local terms energy: -376.163446
where:
bonds (distance) C4'-P energy: -85.492
bonds (distance) P-C4' energy: -81.340
flat angles C4'-P-C4' energy: -72.092
flat angles P-C4'-P energy: -59.511
tors. eta vs tors. theta energy: -77.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -891.969200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.969200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.969200 (E_RNA)
where:
Base-Base interactions energy: -564.762
where: short stacking energy: -280.598
Base-Backbone interact. energy: -2.024
local terms energy: -325.183253
where:
bonds (distance) C4'-P energy: -56.540
bonds (distance) P-C4' energy: -78.572
flat angles C4'-P-C4' energy: -85.900
flat angles P-C4'-P energy: -48.180
tors. eta vs tors. theta energy: -55.991
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: 297
Temperature: 1.300000
Total energy: -770.854307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.854307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.854307 (E_RNA)
where:
Base-Base interactions energy: -466.795
where: short stacking energy: -230.590
Base-Backbone interact. energy: -2.657
local terms energy: -301.401612
where:
bonds (distance) C4'-P energy: -50.348
bonds (distance) P-C4' energy: -88.371
flat angles C4'-P-C4' energy: -77.356
flat angles P-C4'-P energy: -43.211
tors. eta vs tors. theta energy: -42.115
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: 297
Temperature: 1.350000
Total energy: -569.844458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.844458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.844458 (E_RNA)
where:
Base-Base interactions energy: -292.427
where: short stacking energy: -149.508
Base-Backbone interact. energy: -0.289
local terms energy: -277.128543
where:
bonds (distance) C4'-P energy: -77.732
bonds (distance) P-C4' energy: -84.847
flat angles C4'-P-C4' energy: -70.613
flat angles P-C4'-P energy: -32.352
tors. eta vs tors. theta energy: -11.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1553.132776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.132776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.132776 (E_RNA)
where:
Base-Base interactions energy: -1081.213
where: short stacking energy: -441.977
Base-Backbone interact. energy: -2.912
local terms energy: -469.008282
where:
bonds (distance) C4'-P energy: -86.143
bonds (distance) P-C4' energy: -92.193
flat angles C4'-P-C4' energy: -103.235
flat angles P-C4'-P energy: -61.410
tors. eta vs tors. theta energy: -126.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1497.187711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.187711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.187711 (E_RNA)
where:
Base-Base interactions energy: -1041.788
where: short stacking energy: -432.998
Base-Backbone interact. energy: -1.460
local terms energy: -453.940150
where:
bonds (distance) C4'-P energy: -96.329
bonds (distance) P-C4' energy: -87.032
flat angles C4'-P-C4' energy: -86.911
flat angles P-C4'-P energy: -65.850
tors. eta vs tors. theta energy: -117.818
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: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1409.345130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.345130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.345130 (E_RNA)
where:
Base-Base interactions energy: -951.297
where: short stacking energy: -437.482
Base-Backbone interact. energy: -0.962
local terms energy: -457.085608
where:
bonds (distance) C4'-P energy: -85.441
bonds (distance) P-C4' energy: -82.229
flat angles C4'-P-C4' energy: -102.673
flat angles P-C4'-P energy: -60.622
tors. eta vs tors. theta energy: -126.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1394.322264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.322264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.322264 (E_RNA)
where:
Base-Base interactions energy: -962.458
where: short stacking energy: -406.843
Base-Backbone interact. energy: -2.517
local terms energy: -429.347332
where:
bonds (distance) C4'-P energy: -67.560
bonds (distance) P-C4' energy: -86.532
flat angles C4'-P-C4' energy: -97.311
flat angles P-C4'-P energy: -71.958
tors. eta vs tors. theta energy: -105.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1250.024025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.024025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.024025 (E_RNA)
where:
Base-Base interactions energy: -829.573
where: short stacking energy: -348.887
Base-Backbone interact. energy: -1.136
local terms energy: -419.314829
where:
bonds (distance) C4'-P energy: -84.086
bonds (distance) P-C4' energy: -86.540
flat angles C4'-P-C4' energy: -94.916
flat angles P-C4'-P energy: -60.688
tors. eta vs tors. theta energy: -93.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1162.577875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.577875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.577875 (E_RNA)
where:
Base-Base interactions energy: -783.367
where: short stacking energy: -326.878
Base-Backbone interact. energy: -0.418
local terms energy: -378.793273
where:
bonds (distance) C4'-P energy: -73.330
bonds (distance) P-C4' energy: -79.253
flat angles C4'-P-C4' energy: -92.160
flat angles P-C4'-P energy: -61.189
tors. eta vs tors. theta energy: -72.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1104.910753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.910753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.910753 (E_RNA)
where:
Base-Base interactions energy: -742.853
where: short stacking energy: -305.408
Base-Backbone interact. energy: -1.626
local terms energy: -360.432131
where:
bonds (distance) C4'-P energy: -65.894
bonds (distance) P-C4' energy: -80.118
flat angles C4'-P-C4' energy: -93.469
flat angles P-C4'-P energy: -50.275
tors. eta vs tors. theta energy: -70.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -889.743227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.743227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.743227 (E_RNA)
where:
Base-Base interactions energy: -567.108
where: short stacking energy: -264.803
Base-Backbone interact. energy: 4.902
local terms energy: -327.537112
where:
bonds (distance) C4'-P energy: -74.363
bonds (distance) P-C4' energy: -77.102
flat angles C4'-P-C4' energy: -77.279
flat angles P-C4'-P energy: -49.944
tors. eta vs tors. theta energy: -48.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -741.817932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.817932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.817932 (E_RNA)
where:
Base-Base interactions energy: -452.124
where: short stacking energy: -214.435
Base-Backbone interact. energy: 0.068
local terms energy: -289.761275
where:
bonds (distance) C4'-P energy: -75.500
bonds (distance) P-C4' energy: -76.624
flat angles C4'-P-C4' energy: -58.956
flat angles P-C4'-P energy: -46.678
tors. eta vs tors. theta energy: -32.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -619.170710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.170710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.170710 (E_RNA)
where:
Base-Base interactions energy: -356.973
where: short stacking energy: -190.526
Base-Backbone interact. energy: -1.054
local terms energy: -261.143287
where:
bonds (distance) C4'-P energy: -74.189
bonds (distance) P-C4' energy: -86.611
flat angles C4'-P-C4' energy: -56.673
flat angles P-C4'-P energy: -45.221
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: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1568.983595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.983595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.983595 (E_RNA)
where:
Base-Base interactions energy: -1103.382
where: short stacking energy: -453.290
Base-Backbone interact. energy: -2.726
local terms energy: -462.875884
where:
bonds (distance) C4'-P energy: -98.755
bonds (distance) P-C4' energy: -80.588
flat angles C4'-P-C4' energy: -107.518
flat angles P-C4'-P energy: -48.717
tors. eta vs tors. theta energy: -127.297
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: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1509.364936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.364936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.364936 (E_RNA)
where:
Base-Base interactions energy: -1064.909
where: short stacking energy: -452.607
Base-Backbone interact. energy: -3.841
local terms energy: -440.614897
where:
bonds (distance) C4'-P energy: -82.603
bonds (distance) P-C4' energy: -84.254
flat angles C4'-P-C4' energy: -92.257
flat angles P-C4'-P energy: -61.395
tors. eta vs tors. theta energy: -120.105
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: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1425.418568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.418568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.418568 (E_RNA)
where:
Base-Base interactions energy: -958.075
where: short stacking energy: -451.144
Base-Backbone interact. energy: 2.449
local terms energy: -469.791973
where:
bonds (distance) C4'-P energy: -87.487
bonds (distance) P-C4' energy: -84.711
flat angles C4'-P-C4' energy: -98.772
flat angles P-C4'-P energy: -64.490
tors. eta vs tors. theta energy: -134.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1407.950677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.950677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.950677 (E_RNA)
where:
Base-Base interactions energy: -961.461
where: short stacking energy: -410.613
Base-Backbone interact. energy: -1.233
local terms energy: -445.256713
where:
bonds (distance) C4'-P energy: -84.021
bonds (distance) P-C4' energy: -82.440
flat angles C4'-P-C4' energy: -102.917
flat angles P-C4'-P energy: -69.856
tors. eta vs tors. theta energy: -106.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1240.657281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.657281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.657281 (E_RNA)
where:
Base-Base interactions energy: -828.980
where: short stacking energy: -362.433
Base-Backbone interact. energy: -1.200
local terms energy: -410.476961
where:
bonds (distance) C4'-P energy: -78.220
bonds (distance) P-C4' energy: -80.534
flat angles C4'-P-C4' energy: -88.339
flat angles P-C4'-P energy: -56.193
tors. eta vs tors. theta energy: -107.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1108.202113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.202113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.202113 (E_RNA)
where:
Base-Base interactions energy: -724.831
where: short stacking energy: -330.543
Base-Backbone interact. energy: 3.438
local terms energy: -386.808978
where:
bonds (distance) C4'-P energy: -76.090
bonds (distance) P-C4' energy: -90.698
flat angles C4'-P-C4' energy: -85.714
flat angles P-C4'-P energy: -49.970
tors. eta vs tors. theta energy: -84.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1119.315448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.315448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.315448 (E_RNA)
where:
Base-Base interactions energy: -754.578
where: short stacking energy: -351.688
Base-Backbone interact. energy: -0.963
local terms energy: -363.774376
where:
bonds (distance) C4'-P energy: -91.912
bonds (distance) P-C4' energy: -62.376
flat angles C4'-P-C4' energy: -89.792
flat angles P-C4'-P energy: -41.540
tors. eta vs tors. theta energy: -78.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -906.925095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.925095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.925095 (E_RNA)
where:
Base-Base interactions energy: -567.022
where: short stacking energy: -247.665
Base-Backbone interact. energy: -1.137
local terms energy: -338.766245
where:
bonds (distance) C4'-P energy: -82.171
bonds (distance) P-C4' energy: -73.544
flat angles C4'-P-C4' energy: -94.463
flat angles P-C4'-P energy: -47.247
tors. eta vs tors. theta energy: -41.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -757.010213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.010213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.010213 (E_RNA)
where:
Base-Base interactions energy: -474.772
where: short stacking energy: -214.679
Base-Backbone interact. energy: -2.769
local terms energy: -279.469343
where:
bonds (distance) C4'-P energy: -70.604
bonds (distance) P-C4' energy: -80.281
flat angles C4'-P-C4' energy: -62.804
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -28.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -653.647912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.647912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.647912 (E_RNA)
where:
Base-Base interactions energy: -390.750
where: short stacking energy: -177.465
Base-Backbone interact. energy: 1.048
local terms energy: -263.945117
where:
bonds (distance) C4'-P energy: -72.872
bonds (distance) P-C4' energy: -81.103
flat angles C4'-P-C4' energy: -72.372
flat angles P-C4'-P energy: -29.961
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1560.618265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.618265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.618265 (E_RNA)
where:
Base-Base interactions energy: -1094.131
where: short stacking energy: -463.329
Base-Backbone interact. energy: -2.365
local terms energy: -464.122243
where:
bonds (distance) C4'-P energy: -97.164
bonds (distance) P-C4' energy: -81.395
flat angles C4'-P-C4' energy: -98.234
flat angles P-C4'-P energy: -63.343
tors. eta vs tors. theta energy: -123.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1558.668802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.668802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.668802 (E_RNA)
where:
Base-Base interactions energy: -1082.815
where: short stacking energy: -461.443
Base-Backbone interact. energy: -1.692
local terms energy: -474.161991
where:
bonds (distance) C4'-P energy: -87.293
bonds (distance) P-C4' energy: -105.299
flat angles C4'-P-C4' energy: -99.835
flat angles P-C4'-P energy: -61.977
tors. eta vs tors. theta energy: -119.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1437.957919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.957919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.957919 (E_RNA)
where:
Base-Base interactions energy: -972.181
where: short stacking energy: -433.624
Base-Backbone interact. energy: -1.244
local terms energy: -464.532528
where:
bonds (distance) C4'-P energy: -83.865
bonds (distance) P-C4' energy: -97.338
flat angles C4'-P-C4' energy: -98.430
flat angles P-C4'-P energy: -59.900
tors. eta vs tors. theta energy: -124.999
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: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1377.261340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.261340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.261340 (E_RNA)
where:
Base-Base interactions energy: -942.416
where: short stacking energy: -417.099
Base-Backbone interact. energy: 0.231
local terms energy: -435.076144
where:
bonds (distance) C4'-P energy: -79.771
bonds (distance) P-C4' energy: -87.326
flat angles C4'-P-C4' energy: -106.623
flat angles P-C4'-P energy: -62.613
tors. eta vs tors. theta energy: -98.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1278.980805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.980805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.980805 (E_RNA)
where:
Base-Base interactions energy: -852.338
where: short stacking energy: -361.143
Base-Backbone interact. energy: -5.231
local terms energy: -421.411578
where:
bonds (distance) C4'-P energy: -101.833
bonds (distance) P-C4' energy: -82.114
flat angles C4'-P-C4' energy: -86.642
flat angles P-C4'-P energy: -59.301
tors. eta vs tors. theta energy: -91.522
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: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1095.936991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.936991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.936991 (E_RNA)
where:
Base-Base interactions energy: -724.062
where: short stacking energy: -345.557
Base-Backbone interact. energy: -0.749
local terms energy: -371.125345
where:
bonds (distance) C4'-P energy: -73.016
bonds (distance) P-C4' energy: -77.765
flat angles C4'-P-C4' energy: -87.286
flat angles P-C4'-P energy: -53.545
tors. eta vs tors. theta energy: -79.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1098.509779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.509779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.509779 (E_RNA)
where:
Base-Base interactions energy: -746.277
where: short stacking energy: -322.596
Base-Backbone interact. energy: 3.656
local terms energy: -355.889291
where:
bonds (distance) C4'-P energy: -73.349
bonds (distance) P-C4' energy: -76.646
flat angles C4'-P-C4' energy: -83.055
flat angles P-C4'-P energy: -39.917
tors. eta vs tors. theta energy: -82.923
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: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -941.476631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.476631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.476631 (E_RNA)
where:
Base-Base interactions energy: -619.438
where: short stacking energy: -263.929
Base-Backbone interact. energy: 2.046
local terms energy: -324.084976
where:
bonds (distance) C4'-P energy: -77.639
bonds (distance) P-C4' energy: -83.074
flat angles C4'-P-C4' energy: -70.602
flat angles P-C4'-P energy: -56.336
tors. eta vs tors. theta energy: -36.435
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: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -738.349424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.349424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.349424 (E_RNA)
where:
Base-Base interactions energy: -471.589
where: short stacking energy: -218.031
Base-Backbone interact. energy: -1.408
local terms energy: -265.352862
where:
bonds (distance) C4'-P energy: -73.828
bonds (distance) P-C4' energy: -64.364
flat angles C4'-P-C4' energy: -69.706
flat angles P-C4'-P energy: -49.954
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -739.407151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.407151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.407151 (E_RNA)
where:
Base-Base interactions energy: -447.962
where: short stacking energy: -207.563
Base-Backbone interact. energy: -0.632
local terms energy: -290.813025
where:
bonds (distance) C4'-P energy: -76.097
bonds (distance) P-C4' energy: -63.926
flat angles C4'-P-C4' energy: -70.809
flat angles P-C4'-P energy: -39.463
tors. eta vs tors. theta energy: -40.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1596.563179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.563179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.563179 (E_RNA)
where:
Base-Base interactions energy: -1123.856
where: short stacking energy: -460.360
Base-Backbone interact. energy: -0.975
local terms energy: -471.731734
where:
bonds (distance) C4'-P energy: -78.740
bonds (distance) P-C4' energy: -93.925
flat angles C4'-P-C4' energy: -107.149
flat angles P-C4'-P energy: -69.343
tors. eta vs tors. theta energy: -122.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1532.508299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.508299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.508299 (E_RNA)
where:
Base-Base interactions energy: -1076.517
where: short stacking energy: -433.555
Base-Backbone interact. energy: -0.690
local terms energy: -455.301212
where:
bonds (distance) C4'-P energy: -95.481
bonds (distance) P-C4' energy: -81.963
flat angles C4'-P-C4' energy: -100.706
flat angles P-C4'-P energy: -60.459
tors. eta vs tors. theta energy: -116.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1391.494113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.494113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.494113 (E_RNA)
where:
Base-Base interactions energy: -924.555
where: short stacking energy: -428.799
Base-Backbone interact. energy: -1.203
local terms energy: -465.735566
where:
bonds (distance) C4'-P energy: -79.755
bonds (distance) P-C4' energy: -100.955
flat angles C4'-P-C4' energy: -100.971
flat angles P-C4'-P energy: -57.593
tors. eta vs tors. theta energy: -126.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1385.682428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.682428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.682428 (E_RNA)
where:
Base-Base interactions energy: -954.546
where: short stacking energy: -412.016
Base-Backbone interact. energy: -0.890
local terms energy: -430.246679
where:
bonds (distance) C4'-P energy: -86.837
bonds (distance) P-C4' energy: -90.994
flat angles C4'-P-C4' energy: -94.491
flat angles P-C4'-P energy: -54.393
tors. eta vs tors. theta energy: -103.531
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: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1222.589350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.589350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.589350 (E_RNA)
where:
Base-Base interactions energy: -843.181
where: short stacking energy: -365.454
Base-Backbone interact. energy: -3.148
local terms energy: -376.260056
where:
bonds (distance) C4'-P energy: -75.529
bonds (distance) P-C4' energy: -80.098
flat angles C4'-P-C4' energy: -84.760
flat angles P-C4'-P energy: -54.568
tors. eta vs tors. theta energy: -81.304
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: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1088.778826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.778826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.778826 (E_RNA)
where:
Base-Base interactions energy: -727.484
where: short stacking energy: -327.776
Base-Backbone interact. energy: -3.799
local terms energy: -357.495349
where:
bonds (distance) C4'-P energy: -78.157
bonds (distance) P-C4' energy: -78.933
flat angles C4'-P-C4' energy: -72.836
flat angles P-C4'-P energy: -53.941
tors. eta vs tors. theta energy: -73.629
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: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1056.142166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.142166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.142166 (E_RNA)
where:
Base-Base interactions energy: -675.074
where: short stacking energy: -298.571
Base-Backbone interact. energy: -0.577
local terms energy: -380.490901
where:
bonds (distance) C4'-P energy: -85.451
bonds (distance) P-C4' energy: -83.342
flat angles C4'-P-C4' energy: -88.988
flat angles P-C4'-P energy: -53.637
tors. eta vs tors. theta energy: -69.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -951.681557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.681557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.681557 (E_RNA)
where:
Base-Base interactions energy: -619.511
where: short stacking energy: -267.414
Base-Backbone interact. energy: -2.040
local terms energy: -330.130352
where:
bonds (distance) C4'-P energy: -66.393
bonds (distance) P-C4' energy: -76.044
flat angles C4'-P-C4' energy: -87.712
flat angles P-C4'-P energy: -42.631
tors. eta vs tors. theta energy: -57.350
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: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -742.784899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.784899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.784899 (E_RNA)
where:
Base-Base interactions energy: -438.327
where: short stacking energy: -219.716
Base-Backbone interact. energy: -2.205
local terms energy: -302.253537
where:
bonds (distance) C4'-P energy: -78.436
bonds (distance) P-C4' energy: -68.323
flat angles C4'-P-C4' energy: -85.140
flat angles P-C4'-P energy: -54.534
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -748.132545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.132545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.132545 (E_RNA)
where:
Base-Base interactions energy: -447.270
where: short stacking energy: -215.722
Base-Backbone interact. energy: 2.131
local terms energy: -302.993386
where:
bonds (distance) C4'-P energy: -75.317
bonds (distance) P-C4' energy: -81.868
flat angles C4'-P-C4' energy: -78.595
flat angles P-C4'-P energy: -36.913
tors. eta vs tors. theta energy: -30.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1559.463203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.463203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.463203 (E_RNA)
where:
Base-Base interactions energy: -1103.171
where: short stacking energy: -435.078
Base-Backbone interact. energy: -1.375
local terms energy: -454.916813
where:
bonds (distance) C4'-P energy: -83.135
bonds (distance) P-C4' energy: -94.143
flat angles C4'-P-C4' energy: -100.652
flat angles P-C4'-P energy: -56.606
tors. eta vs tors. theta energy: -120.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1555.026865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.026865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.026865 (E_RNA)
where:
Base-Base interactions energy: -1090.132
where: short stacking energy: -463.062
Base-Backbone interact. energy: -2.153
local terms energy: -462.741158
where:
bonds (distance) C4'-P energy: -87.980
bonds (distance) P-C4' energy: -95.568
flat angles C4'-P-C4' energy: -84.599
flat angles P-C4'-P energy: -66.298
tors. eta vs tors. theta energy: -128.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1439.498073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.498073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.498073 (E_RNA)
where:
Base-Base interactions energy: -976.113
where: short stacking energy: -433.344
Base-Backbone interact. energy: -0.848
local terms energy: -462.536344
where:
bonds (distance) C4'-P energy: -87.557
bonds (distance) P-C4' energy: -102.579
flat angles C4'-P-C4' energy: -102.414
flat angles P-C4'-P energy: -48.871
tors. eta vs tors. theta energy: -121.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1390.907472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.907472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.907472 (E_RNA)
where:
Base-Base interactions energy: -949.604
where: short stacking energy: -425.584
Base-Backbone interact. energy: 1.400
local terms energy: -442.702727
where:
bonds (distance) C4'-P energy: -78.248
bonds (distance) P-C4' energy: -92.098
flat angles C4'-P-C4' energy: -94.118
flat angles P-C4'-P energy: -58.315
tors. eta vs tors. theta energy: -119.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1253.324658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.324658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.324658 (E_RNA)
where:
Base-Base interactions energy: -848.827
where: short stacking energy: -351.426
Base-Backbone interact. energy: -0.654
local terms energy: -403.843551
where:
bonds (distance) C4'-P energy: -79.773
bonds (distance) P-C4' energy: -86.552
flat angles C4'-P-C4' energy: -91.509
flat angles P-C4'-P energy: -50.432
tors. eta vs tors. theta energy: -95.578
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: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1103.289113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.289113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.289113 (E_RNA)
where:
Base-Base interactions energy: -717.648
where: short stacking energy: -348.321
Base-Backbone interact. energy: -1.952
local terms energy: -383.688523
where:
bonds (distance) C4'-P energy: -64.867
bonds (distance) P-C4' energy: -93.071
flat angles C4'-P-C4' energy: -88.685
flat angles P-C4'-P energy: -48.659
tors. eta vs tors. theta energy: -88.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1057.292015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.292015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.292015 (E_RNA)
where:
Base-Base interactions energy: -709.692
where: short stacking energy: -295.943
Base-Backbone interact. energy: 0.100
local terms energy: -347.700125
where:
bonds (distance) C4'-P energy: -83.455
bonds (distance) P-C4' energy: -67.564
flat angles C4'-P-C4' energy: -74.566
flat angles P-C4'-P energy: -51.796
tors. eta vs tors. theta energy: -70.319
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: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -959.165023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.165023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.165023 (E_RNA)
where:
Base-Base interactions energy: -618.464
where: short stacking energy: -249.014
Base-Backbone interact. energy: -1.646
local terms energy: -339.055432
where:
bonds (distance) C4'-P energy: -93.681
bonds (distance) P-C4' energy: -82.212
flat angles C4'-P-C4' energy: -85.373
flat angles P-C4'-P energy: -38.338
tors. eta vs tors. theta energy: -39.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -761.058697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.058697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.058697 (E_RNA)
where:
Base-Base interactions energy: -458.183
where: short stacking energy: -203.567
Base-Backbone interact. energy: -2.033
local terms energy: -300.842762
where:
bonds (distance) C4'-P energy: -72.324
bonds (distance) P-C4' energy: -76.843
flat angles C4'-P-C4' energy: -87.334
flat angles P-C4'-P energy: -47.502
tors. eta vs tors. theta energy: -16.840
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: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -700.452503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.452503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.452503 (E_RNA)
where:
Base-Base interactions energy: -420.799
where: short stacking energy: -205.941
Base-Backbone interact. energy: -2.354
local terms energy: -277.300122
where:
bonds (distance) C4'-P energy: -58.904
bonds (distance) P-C4' energy: -89.644
flat angles C4'-P-C4' energy: -65.646
flat angles P-C4'-P energy: -43.817
tors. eta vs tors. theta energy: -19.289
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: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1594.469783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.469783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.469783 (E_RNA)
where:
Base-Base interactions energy: -1135.815
where: short stacking energy: -485.783
Base-Backbone interact. energy: 1.739
local terms energy: -460.394031
where:
bonds (distance) C4'-P energy: -84.447
bonds (distance) P-C4' energy: -92.030
flat angles C4'-P-C4' energy: -97.546
flat angles P-C4'-P energy: -67.717
tors. eta vs tors. theta energy: -118.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1547.021436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.021436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.021436 (E_RNA)
where:
Base-Base interactions energy: -1091.326
where: short stacking energy: -478.456
Base-Backbone interact. energy: -0.835
local terms energy: -454.860899
where:
bonds (distance) C4'-P energy: -74.260
bonds (distance) P-C4' energy: -85.597
flat angles C4'-P-C4' energy: -95.945
flat angles P-C4'-P energy: -73.267
tors. eta vs tors. theta energy: -125.793
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: 303
Temperature: 1.000000
Total energy: -1416.945010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.945010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.945010 (E_RNA)
where:
Base-Base interactions energy: -971.936
where: short stacking energy: -440.119
Base-Backbone interact. energy: -2.001
local terms energy: -443.007475
where:
bonds (distance) C4'-P energy: -96.595
bonds (distance) P-C4' energy: -79.224
flat angles C4'-P-C4' energy: -85.595
flat angles P-C4'-P energy: -60.302
tors. eta vs tors. theta energy: -121.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1391.046744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.046744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.046744 (E_RNA)
where:
Base-Base interactions energy: -938.639
where: short stacking energy: -422.465
Base-Backbone interact. energy: -1.045
local terms energy: -451.362505
where:
bonds (distance) C4'-P energy: -77.153
bonds (distance) P-C4' energy: -77.604
flat angles C4'-P-C4' energy: -99.700
flat angles P-C4'-P energy: -69.241
tors. eta vs tors. theta energy: -127.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1277.684843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.684843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.684843 (E_RNA)
where:
Base-Base interactions energy: -868.776
where: short stacking energy: -388.337
Base-Backbone interact. energy: -1.982
local terms energy: -406.927437
where:
bonds (distance) C4'-P energy: -79.539
bonds (distance) P-C4' energy: -77.683
flat angles C4'-P-C4' energy: -92.040
flat angles P-C4'-P energy: -56.662
tors. eta vs tors. theta energy: -101.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1092.746674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.746674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.746674 (E_RNA)
where:
Base-Base interactions energy: -709.260
where: short stacking energy: -333.720
Base-Backbone interact. energy: 2.521
local terms energy: -386.007879
where:
bonds (distance) C4'-P energy: -74.389
bonds (distance) P-C4' energy: -88.203
flat angles C4'-P-C4' energy: -98.376
flat angles P-C4'-P energy: -53.591
tors. eta vs tors. theta energy: -71.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1106.823942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.823942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.823942 (E_RNA)
where:
Base-Base interactions energy: -742.154
where: short stacking energy: -324.501
Base-Backbone interact. energy: 0.127
local terms energy: -364.797365
where:
bonds (distance) C4'-P energy: -77.651
bonds (distance) P-C4' energy: -78.420
flat angles C4'-P-C4' energy: -89.490
flat angles P-C4'-P energy: -51.506
tors. eta vs tors. theta energy: -67.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -899.589324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.589324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.589324 (E_RNA)
where:
Base-Base interactions energy: -576.245
where: short stacking energy: -244.058
Base-Backbone interact. energy: -2.992
local terms energy: -320.351619
where:
bonds (distance) C4'-P energy: -69.446
bonds (distance) P-C4' energy: -100.529
flat angles C4'-P-C4' energy: -78.844
flat angles P-C4'-P energy: -44.754
tors. eta vs tors. theta energy: -26.778
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: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -742.820021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.820021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.820021 (E_RNA)
where:
Base-Base interactions energy: -463.019
where: short stacking energy: -214.667
Base-Backbone interact. energy: -0.304
local terms energy: -279.497515
where:
bonds (distance) C4'-P energy: -76.988
bonds (distance) P-C4' energy: -83.200
flat angles C4'-P-C4' energy: -62.950
flat angles P-C4'-P energy: -28.587
tors. eta vs tors. theta energy: -27.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -675.977170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.977170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.977170 (E_RNA)
where:
Base-Base interactions energy: -416.254
where: short stacking energy: -203.344
Base-Backbone interact. energy: 0.519
local terms energy: -260.241988
where:
bonds (distance) C4'-P energy: -80.329
bonds (distance) P-C4' energy: -76.101
flat angles C4'-P-C4' energy: -52.023
flat angles P-C4'-P energy: -36.642
tors. eta vs tors. theta energy: -15.147
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: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1578.005464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.005464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.005464 (E_RNA)
where:
Base-Base interactions energy: -1117.792
where: short stacking energy: -435.379
Base-Backbone interact. energy: -0.243
local terms energy: -459.970589
where:
bonds (distance) C4'-P energy: -94.521
bonds (distance) P-C4' energy: -88.952
flat angles C4'-P-C4' energy: -92.556
flat angles P-C4'-P energy: -70.064
tors. eta vs tors. theta energy: -113.879
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: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1523.525365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.525365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.525365 (E_RNA)
where:
Base-Base interactions energy: -1067.230
where: short stacking energy: -413.710
Base-Backbone interact. energy: -1.479
local terms energy: -454.816386
where:
bonds (distance) C4'-P energy: -77.224
bonds (distance) P-C4' energy: -88.840
flat angles C4'-P-C4' energy: -109.462
flat angles P-C4'-P energy: -67.738
tors. eta vs tors. theta energy: -111.552
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: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1446.491238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.491238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.491238 (E_RNA)
where:
Base-Base interactions energy: -980.645
where: short stacking energy: -426.489
Base-Backbone interact. energy: -2.327
local terms energy: -463.519226
where:
bonds (distance) C4'-P energy: -84.002
bonds (distance) P-C4' energy: -87.919
flat angles C4'-P-C4' energy: -102.928
flat angles P-C4'-P energy: -66.190
tors. eta vs tors. theta energy: -122.481
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: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1368.419442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.419442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.419442 (E_RNA)
where:
Base-Base interactions energy: -939.791
where: short stacking energy: -419.244
Base-Backbone interact. energy: -2.820
local terms energy: -425.807885
where:
bonds (distance) C4'-P energy: -78.537
bonds (distance) P-C4' energy: -82.425
flat angles C4'-P-C4' energy: -94.097
flat angles P-C4'-P energy: -59.544
tors. eta vs tors. theta energy: -111.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1248.653301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.653301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.653301 (E_RNA)
where:
Base-Base interactions energy: -835.440
where: short stacking energy: -351.507
Base-Backbone interact. energy: -3.173
local terms energy: -410.039497
where:
bonds (distance) C4'-P energy: -85.905
bonds (distance) P-C4' energy: -89.943
flat angles C4'-P-C4' energy: -84.187
flat angles P-C4'-P energy: -59.154
tors. eta vs tors. theta energy: -90.850
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: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1119.599642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.599642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.599642 (E_RNA)
where:
Base-Base interactions energy: -717.472
where: short stacking energy: -340.833
Base-Backbone interact. energy: -2.528
local terms energy: -399.599807
where:
bonds (distance) C4'-P energy: -75.001
bonds (distance) P-C4' energy: -89.828
flat angles C4'-P-C4' energy: -91.285
flat angles P-C4'-P energy: -42.644
tors. eta vs tors. theta energy: -100.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1126.100014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.100014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.100014 (E_RNA)
where:
Base-Base interactions energy: -779.538
where: short stacking energy: -341.226
Base-Backbone interact. energy: -1.779
local terms energy: -344.783269
where:
bonds (distance) C4'-P energy: -64.952
bonds (distance) P-C4' energy: -69.753
flat angles C4'-P-C4' energy: -86.509
flat angles P-C4'-P energy: -47.908
tors. eta vs tors. theta energy: -75.661
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: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -902.930066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.930066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.930066 (E_RNA)
where:
Base-Base interactions energy: -601.245
where: short stacking energy: -292.432
Base-Backbone interact. energy: 0.390
local terms energy: -302.075502
where:
bonds (distance) C4'-P energy: -58.230
bonds (distance) P-C4' energy: -87.713
flat angles C4'-P-C4' energy: -70.663
flat angles P-C4'-P energy: -36.279
tors. eta vs tors. theta energy: -49.190
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: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -741.324263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.324263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.324263 (E_RNA)
where:
Base-Base interactions energy: -423.945
where: short stacking energy: -195.171
Base-Backbone interact. energy: 0.120
local terms energy: -317.498871
where:
bonds (distance) C4'-P energy: -78.651
bonds (distance) P-C4' energy: -95.934
flat angles C4'-P-C4' energy: -75.211
flat angles P-C4'-P energy: -38.646
tors. eta vs tors. theta energy: -29.057
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: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -682.002177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.002177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.002177 (E_RNA)
where:
Base-Base interactions energy: -403.167
where: short stacking energy: -189.646
Base-Backbone interact. energy: 1.297
local terms energy: -280.131857
where:
bonds (distance) C4'-P energy: -70.274
bonds (distance) P-C4' energy: -61.636
flat angles C4'-P-C4' energy: -73.799
flat angles P-C4'-P energy: -51.293
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1581.236853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.236853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.236853 (E_RNA)
where:
Base-Base interactions energy: -1103.897
where: short stacking energy: -447.733
Base-Backbone interact. energy: -1.026
local terms energy: -476.313929
where:
bonds (distance) C4'-P energy: -89.213
bonds (distance) P-C4' energy: -101.441
flat angles C4'-P-C4' energy: -90.605
flat angles P-C4'-P energy: -74.813
tors. eta vs tors. theta energy: -120.242
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: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1530.229850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.229850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.229850 (E_RNA)
where:
Base-Base interactions energy: -1088.533
where: short stacking energy: -457.646
Base-Backbone interact. energy: -1.967
local terms energy: -439.730265
where:
bonds (distance) C4'-P energy: -84.491
bonds (distance) P-C4' energy: -80.078
flat angles C4'-P-C4' energy: -84.423
flat angles P-C4'-P energy: -67.100
tors. eta vs tors. theta energy: -123.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1418.127657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.127657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.127657 (E_RNA)
where:
Base-Base interactions energy: -967.075
where: short stacking energy: -436.206
Base-Backbone interact. energy: 3.457
local terms energy: -454.510000
where:
bonds (distance) C4'-P energy: -86.815
bonds (distance) P-C4' energy: -81.015
flat angles C4'-P-C4' energy: -100.948
flat angles P-C4'-P energy: -65.185
tors. eta vs tors. theta energy: -120.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1353.127501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.127501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.127501 (E_RNA)
where:
Base-Base interactions energy: -908.842
where: short stacking energy: -419.034
Base-Backbone interact. energy: -0.177
local terms energy: -444.108103
where:
bonds (distance) C4'-P energy: -70.523
bonds (distance) P-C4' energy: -94.027
flat angles C4'-P-C4' energy: -101.341
flat angles P-C4'-P energy: -59.849
tors. eta vs tors. theta energy: -118.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1279.400208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.400208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.400208 (E_RNA)
where:
Base-Base interactions energy: -890.965
where: short stacking energy: -362.570
Base-Backbone interact. energy: 2.427
local terms energy: -390.861388
where:
bonds (distance) C4'-P energy: -76.575
bonds (distance) P-C4' energy: -83.756
flat angles C4'-P-C4' energy: -71.725
flat angles P-C4'-P energy: -64.044
tors. eta vs tors. theta energy: -94.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1120.542883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.542883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.542883 (E_RNA)
where:
Base-Base interactions energy: -756.534
where: short stacking energy: -319.271
Base-Backbone interact. energy: -0.055
local terms energy: -363.953881
where:
bonds (distance) C4'-P energy: -72.687
bonds (distance) P-C4' energy: -72.335
flat angles C4'-P-C4' energy: -90.575
flat angles P-C4'-P energy: -47.634
tors. eta vs tors. theta energy: -80.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1032.616965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.616965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.616965 (E_RNA)
where:
Base-Base interactions energy: -692.429
where: short stacking energy: -329.234
Base-Backbone interact. energy: -1.540
local terms energy: -338.647406
where:
bonds (distance) C4'-P energy: -70.730
bonds (distance) P-C4' energy: -73.331
flat angles C4'-P-C4' energy: -75.285
flat angles P-C4'-P energy: -47.545
tors. eta vs tors. theta energy: -71.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -893.978028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.978028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.978028 (E_RNA)
where:
Base-Base interactions energy: -562.359
where: short stacking energy: -249.195
Base-Backbone interact. energy: 0.124
local terms energy: -331.743699
where:
bonds (distance) C4'-P energy: -77.097
bonds (distance) P-C4' energy: -65.762
flat angles C4'-P-C4' energy: -77.044
flat angles P-C4'-P energy: -60.233
tors. eta vs tors. theta energy: -51.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -700.666120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.666120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.666120 (E_RNA)
where:
Base-Base interactions energy: -415.587
where: short stacking energy: -189.554
Base-Backbone interact. energy: -1.804
local terms energy: -283.274949
where:
bonds (distance) C4'-P energy: -80.392
bonds (distance) P-C4' energy: -78.610
flat angles C4'-P-C4' energy: -56.620
flat angles P-C4'-P energy: -56.636
tors. eta vs tors. theta energy: -11.017
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: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -730.626570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.626570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.626570 (E_RNA)
where:
Base-Base interactions energy: -443.091
where: short stacking energy: -219.863
Base-Backbone interact. energy: 1.528
local terms energy: -289.063697
where:
bonds (distance) C4'-P energy: -80.032
bonds (distance) P-C4' energy: -88.244
flat angles C4'-P-C4' energy: -51.590
flat angles P-C4'-P energy: -37.094
tors. eta vs tors. theta energy: -32.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1574.991777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.991777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.991777 (E_RNA)
where:
Base-Base interactions energy: -1100.993
where: short stacking energy: -441.967
Base-Backbone interact. energy: -3.189
local terms energy: -470.808924
where:
bonds (distance) C4'-P energy: -91.862
bonds (distance) P-C4' energy: -94.678
flat angles C4'-P-C4' energy: -100.903
flat angles P-C4'-P energy: -66.391
tors. eta vs tors. theta energy: -116.974
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: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1530.132311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.132311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.132311 (E_RNA)
where:
Base-Base interactions energy: -1060.927
where: short stacking energy: -432.141
Base-Backbone interact. energy: -2.126
local terms energy: -467.079482
where:
bonds (distance) C4'-P energy: -89.975
bonds (distance) P-C4' energy: -89.057
flat angles C4'-P-C4' energy: -98.033
flat angles P-C4'-P energy: -67.627
tors. eta vs tors. theta energy: -122.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1412.365932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.365932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.365932 (E_RNA)
where:
Base-Base interactions energy: -975.945
where: short stacking energy: -442.891
Base-Backbone interact. energy: -2.952
local terms energy: -433.468976
where:
bonds (distance) C4'-P energy: -82.893
bonds (distance) P-C4' energy: -97.508
flat angles C4'-P-C4' energy: -83.717
flat angles P-C4'-P energy: -54.569
tors. eta vs tors. theta energy: -114.782
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: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1323.358824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.358824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.358824 (E_RNA)
where:
Base-Base interactions energy: -901.314
where: short stacking energy: -399.113
Base-Backbone interact. energy: -0.561
local terms energy: -421.484372
where:
bonds (distance) C4'-P energy: -84.445
bonds (distance) P-C4' energy: -66.121
flat angles C4'-P-C4' energy: -104.206
flat angles P-C4'-P energy: -54.458
tors. eta vs tors. theta energy: -112.254
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: 306
Temperature: 1.100000
Total energy: -1288.132386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.132386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.132386 (E_RNA)
where:
Base-Base interactions energy: -871.116
where: short stacking energy: -360.441
Base-Backbone interact. energy: -0.954
local terms energy: -416.062557
where:
bonds (distance) C4'-P energy: -77.987
bonds (distance) P-C4' energy: -83.187
flat angles C4'-P-C4' energy: -99.151
flat angles P-C4'-P energy: -54.034
tors. eta vs tors. theta energy: -101.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1134.039982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.039982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.039982 (E_RNA)
where:
Base-Base interactions energy: -762.608
where: short stacking energy: -334.004
Base-Backbone interact. energy: 0.525
local terms energy: -371.956440
where:
bonds (distance) C4'-P energy: -76.224
bonds (distance) P-C4' energy: -75.407
flat angles C4'-P-C4' energy: -85.967
flat angles P-C4'-P energy: -52.463
tors. eta vs tors. theta energy: -81.896
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: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1049.321709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.321709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.321709 (E_RNA)
where:
Base-Base interactions energy: -698.032
where: short stacking energy: -329.824
Base-Backbone interact. energy: -2.604
local terms energy: -348.685474
where:
bonds (distance) C4'-P energy: -73.072
bonds (distance) P-C4' energy: -72.431
flat angles C4'-P-C4' energy: -78.951
flat angles P-C4'-P energy: -45.959
tors. eta vs tors. theta energy: -78.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -928.743046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.743046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.743046 (E_RNA)
where:
Base-Base interactions energy: -595.815
where: short stacking energy: -282.110
Base-Backbone interact. energy: -1.909
local terms energy: -331.019752
where:
bonds (distance) C4'-P energy: -59.922
bonds (distance) P-C4' energy: -90.223
flat angles C4'-P-C4' energy: -83.090
flat angles P-C4'-P energy: -48.243
tors. eta vs tors. theta energy: -49.542
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: 306
Temperature: 1.300000
Total energy: -836.415066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.415066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.415066 (E_RNA)
where:
Base-Base interactions energy: -524.204
where: short stacking energy: -233.089
Base-Backbone interact. energy: -1.835
local terms energy: -310.375690
where:
bonds (distance) C4'-P energy: -68.262
bonds (distance) P-C4' energy: -86.437
flat angles C4'-P-C4' energy: -74.381
flat angles P-C4'-P energy: -32.629
tors. eta vs tors. theta energy: -48.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -746.204889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.204889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.204889 (E_RNA)
where:
Base-Base interactions energy: -450.888
where: short stacking energy: -249.078
Base-Backbone interact. energy: -1.335
local terms energy: -293.981918
where:
bonds (distance) C4'-P energy: -72.323
bonds (distance) P-C4' energy: -70.668
flat angles C4'-P-C4' energy: -79.512
flat angles P-C4'-P energy: -41.010
tors. eta vs tors. theta energy: -30.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1574.973431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.973431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.973431 (E_RNA)
where:
Base-Base interactions energy: -1110.076
where: short stacking energy: -432.424
Base-Backbone interact. energy: -1.098
local terms energy: -463.799343
where:
bonds (distance) C4'-P energy: -86.652
bonds (distance) P-C4' energy: -95.733
flat angles C4'-P-C4' energy: -93.343
flat angles P-C4'-P energy: -70.907
tors. eta vs tors. theta energy: -117.164
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: 2, replica: 10
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1522.337905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.337905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.337905 (E_RNA)
where:
Base-Base interactions energy: -1039.710
where: short stacking energy: -451.894
Base-Backbone interact. energy: -3.485
local terms energy: -479.143404
where:
bonds (distance) C4'-P energy: -91.864
bonds (distance) P-C4' energy: -100.279
flat angles C4'-P-C4' energy: -92.958
flat angles P-C4'-P energy: -60.892
tors. eta vs tors. theta energy: -133.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1403.290998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.290998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.290998 (E_RNA)
where:
Base-Base interactions energy: -960.973
where: short stacking energy: -407.345
Base-Backbone interact. energy: -2.674
local terms energy: -439.643857
where:
bonds (distance) C4'-P energy: -80.583
bonds (distance) P-C4' energy: -96.366
flat angles C4'-P-C4' energy: -96.988
flat angles P-C4'-P energy: -65.126
tors. eta vs tors. theta energy: -100.580
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: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1359.921696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.921696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.921696 (E_RNA)
where:
Base-Base interactions energy: -924.191
where: short stacking energy: -399.415
Base-Backbone interact. energy: -1.929
local terms energy: -433.801270
where:
bonds (distance) C4'-P energy: -86.177
bonds (distance) P-C4' energy: -85.800
flat angles C4'-P-C4' energy: -95.692
flat angles P-C4'-P energy: -61.955
tors. eta vs tors. theta energy: -104.178
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: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1270.339621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.339621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.339621 (E_RNA)
where:
Base-Base interactions energy: -840.994
where: short stacking energy: -353.163
Base-Backbone interact. energy: -4.145
local terms energy: -425.201002
where:
bonds (distance) C4'-P energy: -93.501
bonds (distance) P-C4' energy: -85.844
flat angles C4'-P-C4' energy: -90.544
flat angles P-C4'-P energy: -63.718
tors. eta vs tors. theta energy: -91.593
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: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1082.180620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.180620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.180620 (E_RNA)
where:
Base-Base interactions energy: -713.945
where: short stacking energy: -346.391
Base-Backbone interact. energy: -1.147
local terms energy: -367.089244
where:
bonds (distance) C4'-P energy: -70.604
bonds (distance) P-C4' energy: -87.942
flat angles C4'-P-C4' energy: -86.671
flat angles P-C4'-P energy: -40.158
tors. eta vs tors. theta energy: -81.713
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: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1157.761937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.761937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.761937 (E_RNA)
where:
Base-Base interactions energy: -796.886
where: short stacking energy: -344.394
Base-Backbone interact. energy: 0.908
local terms energy: -361.783894
where:
bonds (distance) C4'-P energy: -59.026
bonds (distance) P-C4' energy: -79.206
flat angles C4'-P-C4' energy: -86.863
flat angles P-C4'-P energy: -54.905
tors. eta vs tors. theta energy: -81.783
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: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -972.346231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.346231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.346231 (E_RNA)
where:
Base-Base interactions energy: -646.913
where: short stacking energy: -297.345
Base-Backbone interact. energy: 1.141
local terms energy: -326.574580
where:
bonds (distance) C4'-P energy: -77.061
bonds (distance) P-C4' energy: -63.316
flat angles C4'-P-C4' energy: -83.429
flat angles P-C4'-P energy: -41.841
tors. eta vs tors. theta energy: -60.928
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: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -796.009382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.009382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.009382 (E_RNA)
where:
Base-Base interactions energy: -500.457
where: short stacking energy: -216.067
Base-Backbone interact. energy: 0.591
local terms energy: -296.143864
where:
bonds (distance) C4'-P energy: -70.526
bonds (distance) P-C4' energy: -75.912
flat angles C4'-P-C4' energy: -67.521
flat angles P-C4'-P energy: -51.938
tors. eta vs tors. theta energy: -30.247
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: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -698.814072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.814072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.814072 (E_RNA)
where:
Base-Base interactions energy: -423.970
where: short stacking energy: -213.248
Base-Backbone interact. energy: 1.479
local terms energy: -276.323086
where:
bonds (distance) C4'-P energy: -68.002
bonds (distance) P-C4' energy: -66.128
flat angles C4'-P-C4' energy: -68.905
flat angles P-C4'-P energy: -47.628
tors. eta vs tors. theta energy: -25.660
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: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1560.339375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.339375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.339375 (E_RNA)
where:
Base-Base interactions energy: -1089.239
where: short stacking energy: -439.156
Base-Backbone interact. energy: -2.044
local terms energy: -469.055979
where:
bonds (distance) C4'-P energy: -89.951
bonds (distance) P-C4' energy: -98.512
flat angles C4'-P-C4' energy: -99.262
flat angles P-C4'-P energy: -61.047
tors. eta vs tors. theta energy: -120.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1533.942186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.942186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.942186 (E_RNA)
where:
Base-Base interactions energy: -1046.773
where: short stacking energy: -464.935
Base-Backbone interact. energy: -3.713
local terms energy: -483.456356
where:
bonds (distance) C4'-P energy: -91.139
bonds (distance) P-C4' energy: -98.198
flat angles C4'-P-C4' energy: -98.772
flat angles P-C4'-P energy: -65.036
tors. eta vs tors. theta energy: -130.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1406.010417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.010417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.010417 (E_RNA)
where:
Base-Base interactions energy: -967.130
where: short stacking energy: -418.842
Base-Backbone interact. energy: -0.102
local terms energy: -438.777821
where:
bonds (distance) C4'-P energy: -92.981
bonds (distance) P-C4' energy: -78.907
flat angles C4'-P-C4' energy: -93.161
flat angles P-C4'-P energy: -61.669
tors. eta vs tors. theta energy: -112.060
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: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1379.745034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.745034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.745034 (E_RNA)
where:
Base-Base interactions energy: -927.657
where: short stacking energy: -422.450
Base-Backbone interact. energy: -2.613
local terms energy: -449.475374
where:
bonds (distance) C4'-P energy: -81.135
bonds (distance) P-C4' energy: -81.255
flat angles C4'-P-C4' energy: -94.952
flat angles P-C4'-P energy: -69.072
tors. eta vs tors. theta energy: -123.062
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: 308
Temperature: 1.100000
Total energy: -1247.000202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.000202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.000202 (E_RNA)
where:
Base-Base interactions energy: -839.809
where: short stacking energy: -357.759
Base-Backbone interact. energy: 1.822
local terms energy: -409.012732
where:
bonds (distance) C4'-P energy: -87.165
bonds (distance) P-C4' energy: -90.498
flat angles C4'-P-C4' energy: -93.502
flat angles P-C4'-P energy: -55.443
tors. eta vs tors. theta energy: -82.404
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: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1116.125953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.125953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.125953 (E_RNA)
where:
Base-Base interactions energy: -721.491
where: short stacking energy: -354.231
Base-Backbone interact. energy: 0.133
local terms energy: -394.768171
where:
bonds (distance) C4'-P energy: -84.330
bonds (distance) P-C4' energy: -80.954
flat angles C4'-P-C4' energy: -86.602
flat angles P-C4'-P energy: -57.843
tors. eta vs tors. theta energy: -85.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1206.451335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.451335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.451335 (E_RNA)
where:
Base-Base interactions energy: -833.283
where: short stacking energy: -324.722
Base-Backbone interact. energy: 3.703
local terms energy: -376.871325
where:
bonds (distance) C4'-P energy: -84.935
bonds (distance) P-C4' energy: -78.505
flat angles C4'-P-C4' energy: -90.942
flat angles P-C4'-P energy: -38.722
tors. eta vs tors. theta energy: -83.768
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: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -954.211001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.211001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.211001 (E_RNA)
where:
Base-Base interactions energy: -634.931
where: short stacking energy: -303.932
Base-Backbone interact. energy: -0.780
local terms energy: -318.500631
where:
bonds (distance) C4'-P energy: -70.600
bonds (distance) P-C4' energy: -69.585
flat angles C4'-P-C4' energy: -88.385
flat angles P-C4'-P energy: -35.794
tors. eta vs tors. theta energy: -54.136
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: 308
Temperature: 1.300000
Total energy: -807.231528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.231528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.231528 (E_RNA)
where:
Base-Base interactions energy: -516.274
where: short stacking energy: -259.688
Base-Backbone interact. energy: -2.153
local terms energy: -288.804952
where:
bonds (distance) C4'-P energy: -84.147
bonds (distance) P-C4' energy: -66.553
flat angles C4'-P-C4' energy: -67.948
flat angles P-C4'-P energy: -32.359
tors. eta vs tors. theta energy: -37.798
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: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -717.210368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.210368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.210368 (E_RNA)
where:
Base-Base interactions energy: -431.082
where: short stacking energy: -206.347
Base-Backbone interact. energy: -1.305
local terms energy: -284.823084
where:
bonds (distance) C4'-P energy: -68.893
bonds (distance) P-C4' energy: -68.427
flat angles C4'-P-C4' energy: -78.980
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -31.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1575.573000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.573000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.573000 (E_RNA)
where:
Base-Base interactions energy: -1101.555
where: short stacking energy: -453.559
Base-Backbone interact. energy: -1.608
local terms energy: -472.409824
where:
bonds (distance) C4'-P energy: -91.904
bonds (distance) P-C4' energy: -99.599
flat angles C4'-P-C4' energy: -99.901
flat angles P-C4'-P energy: -67.305
tors. eta vs tors. theta energy: -113.701
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: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1521.606931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.606931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.606931 (E_RNA)
where:
Base-Base interactions energy: -1053.234
where: short stacking energy: -451.579
Base-Backbone interact. energy: -2.250
local terms energy: -466.123062
where:
bonds (distance) C4'-P energy: -80.074
bonds (distance) P-C4' energy: -93.883
flat angles C4'-P-C4' energy: -101.324
flat angles P-C4'-P energy: -62.635
tors. eta vs tors. theta energy: -128.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1408.094151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.094151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.094151 (E_RNA)
where:
Base-Base interactions energy: -959.533
where: short stacking energy: -433.048
Base-Backbone interact. energy: -0.711
local terms energy: -447.850462
where:
bonds (distance) C4'-P energy: -84.475
bonds (distance) P-C4' energy: -83.308
flat angles C4'-P-C4' energy: -90.949
flat angles P-C4'-P energy: -73.175
tors. eta vs tors. theta energy: -115.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1423.014447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.014447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.014447 (E_RNA)
where:
Base-Base interactions energy: -960.648
where: short stacking energy: -427.398
Base-Backbone interact. energy: -1.818
local terms energy: -460.548547
where:
bonds (distance) C4'-P energy: -82.170
bonds (distance) P-C4' energy: -97.980
flat angles C4'-P-C4' energy: -106.996
flat angles P-C4'-P energy: -47.043
tors. eta vs tors. theta energy: -126.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1265.810673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.810673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.810673 (E_RNA)
where:
Base-Base interactions energy: -865.565
where: short stacking energy: -362.439
Base-Backbone interact. energy: -2.985
local terms energy: -397.260381
where:
bonds (distance) C4'-P energy: -84.942
bonds (distance) P-C4' energy: -72.615
flat angles C4'-P-C4' energy: -92.183
flat angles P-C4'-P energy: -59.944
tors. eta vs tors. theta energy: -87.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1233.453659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.453659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.453659 (E_RNA)
where:
Base-Base interactions energy: -835.711
where: short stacking energy: -373.910
Base-Backbone interact. energy: 0.836
local terms energy: -398.578946
where:
bonds (distance) C4'-P energy: -79.550
bonds (distance) P-C4' energy: -67.753
flat angles C4'-P-C4' energy: -93.183
flat angles P-C4'-P energy: -60.993
tors. eta vs tors. theta energy: -97.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1069.102830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.102830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.102830 (E_RNA)
where:
Base-Base interactions energy: -697.945
where: short stacking energy: -321.845
Base-Backbone interact. energy: 3.009
local terms energy: -374.167180
where:
bonds (distance) C4'-P energy: -68.973
bonds (distance) P-C4' energy: -87.277
flat angles C4'-P-C4' energy: -83.225
flat angles P-C4'-P energy: -60.314
tors. eta vs tors. theta energy: -74.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -963.389815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.389815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.389815 (E_RNA)
where:
Base-Base interactions energy: -617.424
where: short stacking energy: -282.924
Base-Backbone interact. energy: 1.011
local terms energy: -346.976677
where:
bonds (distance) C4'-P energy: -84.332
bonds (distance) P-C4' energy: -77.937
flat angles C4'-P-C4' energy: -69.570
flat angles P-C4'-P energy: -56.551
tors. eta vs tors. theta energy: -58.588
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: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -828.152456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.152456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.152456 (E_RNA)
where:
Base-Base interactions energy: -541.133
where: short stacking energy: -237.102
Base-Backbone interact. energy: 0.927
local terms energy: -287.946800
where:
bonds (distance) C4'-P energy: -73.670
bonds (distance) P-C4' energy: -67.518
flat angles C4'-P-C4' energy: -73.328
flat angles P-C4'-P energy: -34.467
tors. eta vs tors. theta energy: -38.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -710.828978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.828978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.828978 (E_RNA)
where:
Base-Base interactions energy: -440.864
where: short stacking energy: -212.555
Base-Backbone interact. energy: 0.189
local terms energy: -270.153720
where:
bonds (distance) C4'-P energy: -78.208
bonds (distance) P-C4' energy: -58.693
flat angles C4'-P-C4' energy: -73.622
flat angles P-C4'-P energy: -36.923
tors. eta vs tors. theta energy: -22.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1562.783662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.783662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.783662 (E_RNA)
where:
Base-Base interactions energy: -1087.881
where: short stacking energy: -458.968
Base-Backbone interact. energy: -2.686
local terms energy: -472.216557
where:
bonds (distance) C4'-P energy: -93.930
bonds (distance) P-C4' energy: -90.765
flat angles C4'-P-C4' energy: -98.089
flat angles P-C4'-P energy: -66.933
tors. eta vs tors. theta energy: -122.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1491.482436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.482436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.482436 (E_RNA)
where:
Base-Base interactions energy: -1028.501
where: short stacking energy: -428.785
Base-Backbone interact. energy: -3.465
local terms energy: -459.516923
where:
bonds (distance) C4'-P energy: -89.478
bonds (distance) P-C4' energy: -92.435
flat angles C4'-P-C4' energy: -106.631
flat angles P-C4'-P energy: -51.293
tors. eta vs tors. theta energy: -119.681
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: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1426.804947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.804947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.804947 (E_RNA)
where:
Base-Base interactions energy: -968.653
where: short stacking energy: -437.958
Base-Backbone interact. energy: -4.001
local terms energy: -454.151104
where:
bonds (distance) C4'-P energy: -74.735
bonds (distance) P-C4' energy: -89.875
flat angles C4'-P-C4' energy: -103.145
flat angles P-C4'-P energy: -73.954
tors. eta vs tors. theta energy: -112.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1380.985864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.985864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.985864 (E_RNA)
where:
Base-Base interactions energy: -930.557
where: short stacking energy: -406.975
Base-Backbone interact. energy: -1.812
local terms energy: -448.617022
where:
bonds (distance) C4'-P energy: -82.540
bonds (distance) P-C4' energy: -91.970
flat angles C4'-P-C4' energy: -91.906
flat angles P-C4'-P energy: -68.668
tors. eta vs tors. theta energy: -113.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1237.898425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.898425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.898425 (E_RNA)
where:
Base-Base interactions energy: -827.940
where: short stacking energy: -372.972
Base-Backbone interact. energy: -1.851
local terms energy: -408.107019
where:
bonds (distance) C4'-P energy: -83.124
bonds (distance) P-C4' energy: -79.507
flat angles C4'-P-C4' energy: -94.883
flat angles P-C4'-P energy: -51.847
tors. eta vs tors. theta energy: -98.746
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: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1203.795074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.795074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.795074 (E_RNA)
where:
Base-Base interactions energy: -813.039
where: short stacking energy: -357.220
Base-Backbone interact. energy: -0.865
local terms energy: -389.890762
where:
bonds (distance) C4'-P energy: -70.453
bonds (distance) P-C4' energy: -91.682
flat angles C4'-P-C4' energy: -92.215
flat angles P-C4'-P energy: -52.342
tors. eta vs tors. theta energy: -83.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1115.368618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.368618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.368618 (E_RNA)
where:
Base-Base interactions energy: -729.867
where: short stacking energy: -302.875
Base-Backbone interact. energy: -0.654
local terms energy: -384.847241
where:
bonds (distance) C4'-P energy: -82.357
bonds (distance) P-C4' energy: -78.612
flat angles C4'-P-C4' energy: -82.006
flat angles P-C4'-P energy: -65.955
tors. eta vs tors. theta energy: -75.918
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: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -945.574714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.574714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.574714 (E_RNA)
where:
Base-Base interactions energy: -632.874
where: short stacking energy: -307.029
Base-Backbone interact. energy: -0.689
local terms energy: -312.011850
where:
bonds (distance) C4'-P energy: -50.141
bonds (distance) P-C4' energy: -79.840
flat angles C4'-P-C4' energy: -75.784
flat angles P-C4'-P energy: -38.112
tors. eta vs tors. theta energy: -68.134
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: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -829.605223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.605223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.605223 (E_RNA)
where:
Base-Base interactions energy: -508.932
where: short stacking energy: -255.595
Base-Backbone interact. energy: 4.888
local terms energy: -325.561086
where:
bonds (distance) C4'-P energy: -79.487
bonds (distance) P-C4' energy: -80.390
flat angles C4'-P-C4' energy: -69.534
flat angles P-C4'-P energy: -43.738
tors. eta vs tors. theta energy: -52.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -703.313693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.313693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.313693 (E_RNA)
where:
Base-Base interactions energy: -428.921
where: short stacking energy: -214.504
Base-Backbone interact. energy: 1.135
local terms energy: -275.527221
where:
bonds (distance) C4'-P energy: -70.501
bonds (distance) P-C4' energy: -84.439
flat angles C4'-P-C4' energy: -66.348
flat angles P-C4'-P energy: -36.440
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: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1557.103237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.103237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.103237 (E_RNA)
where:
Base-Base interactions energy: -1072.022
where: short stacking energy: -438.151
Base-Backbone interact. energy: -1.607
local terms energy: -483.473521
where:
bonds (distance) C4'-P energy: -99.315
bonds (distance) P-C4' energy: -98.689
flat angles C4'-P-C4' energy: -105.734
flat angles P-C4'-P energy: -62.640
tors. eta vs tors. theta energy: -117.095
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: 2, replica: 10
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1531.455098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.455098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.455098 (E_RNA)
where:
Base-Base interactions energy: -1073.947
where: short stacking energy: -445.160
Base-Backbone interact. energy: -4.267
local terms energy: -453.241297
where:
bonds (distance) C4'-P energy: -86.537
bonds (distance) P-C4' energy: -79.764
flat angles C4'-P-C4' energy: -102.157
flat angles P-C4'-P energy: -66.175
tors. eta vs tors. theta energy: -118.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1376.729964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.729964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.729964 (E_RNA)
where:
Base-Base interactions energy: -959.338
where: short stacking energy: -409.092
Base-Backbone interact. energy: 2.438
local terms energy: -419.830284
where:
bonds (distance) C4'-P energy: -84.756
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -81.118
flat angles P-C4'-P energy: -57.837
tors. eta vs tors. theta energy: -104.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1379.680250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.680250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.680250 (E_RNA)
where:
Base-Base interactions energy: -926.337
where: short stacking energy: -442.532
Base-Backbone interact. energy: -0.455
local terms energy: -452.888735
where:
bonds (distance) C4'-P energy: -78.683
bonds (distance) P-C4' energy: -75.061
flat angles C4'-P-C4' energy: -100.123
flat angles P-C4'-P energy: -70.262
tors. eta vs tors. theta energy: -128.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1206.210227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.210227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.210227 (E_RNA)
where:
Base-Base interactions energy: -799.576
where: short stacking energy: -363.334
Base-Backbone interact. energy: 0.938
local terms energy: -407.572504
where:
bonds (distance) C4'-P energy: -71.871
bonds (distance) P-C4' energy: -90.129
flat angles C4'-P-C4' energy: -91.047
flat angles P-C4'-P energy: -61.972
tors. eta vs tors. theta energy: -92.554
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: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1228.363028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.363028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.363028 (E_RNA)
where:
Base-Base interactions energy: -832.117
where: short stacking energy: -364.573
Base-Backbone interact. energy: -3.020
local terms energy: -393.225865
where:
bonds (distance) C4'-P energy: -78.996
bonds (distance) P-C4' energy: -71.789
flat angles C4'-P-C4' energy: -85.745
flat angles P-C4'-P energy: -58.370
tors. eta vs tors. theta energy: -98.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1085.503137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.503137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.503137 (E_RNA)
where:
Base-Base interactions energy: -731.159
where: short stacking energy: -334.550
Base-Backbone interact. energy: -0.584
local terms energy: -353.759880
where:
bonds (distance) C4'-P energy: -67.156
bonds (distance) P-C4' energy: -73.967
flat angles C4'-P-C4' energy: -80.225
flat angles P-C4'-P energy: -55.259
tors. eta vs tors. theta energy: -77.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -940.507274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.507274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.507274 (E_RNA)
where:
Base-Base interactions energy: -613.302
where: short stacking energy: -281.259
Base-Backbone interact. energy: 2.594
local terms energy: -329.798890
where:
bonds (distance) C4'-P energy: -80.771
bonds (distance) P-C4' energy: -59.530
flat angles C4'-P-C4' energy: -83.444
flat angles P-C4'-P energy: -53.322
tors. eta vs tors. theta energy: -52.731
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: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -815.276976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.276976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.276976 (E_RNA)
where:
Base-Base interactions energy: -516.151
where: short stacking energy: -233.044
Base-Backbone interact. energy: -0.683
local terms energy: -298.443502
where:
bonds (distance) C4'-P energy: -76.329
bonds (distance) P-C4' energy: -69.541
flat angles C4'-P-C4' energy: -65.823
flat angles P-C4'-P energy: -51.607
tors. eta vs tors. theta energy: -35.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -773.285717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.285717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.285717 (E_RNA)
where:
Base-Base interactions energy: -496.357
where: short stacking energy: -222.514
Base-Backbone interact. energy: -3.748
local terms energy: -273.180556
where:
bonds (distance) C4'-P energy: -75.081
bonds (distance) P-C4' energy: -64.172
flat angles C4'-P-C4' energy: -59.719
flat angles P-C4'-P energy: -48.976
tors. eta vs tors. theta energy: -25.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1568.229953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.229953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.229953 (E_RNA)
where:
Base-Base interactions energy: -1109.319
where: short stacking energy: -455.952
Base-Backbone interact. energy: -1.244
local terms energy: -457.666724
where:
bonds (distance) C4'-P energy: -87.720
bonds (distance) P-C4' energy: -92.294
flat angles C4'-P-C4' energy: -96.565
flat angles P-C4'-P energy: -64.537
tors. eta vs tors. theta energy: -116.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1533.302358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.302358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.302358 (E_RNA)
where:
Base-Base interactions energy: -1047.679
where: short stacking energy: -445.278
Base-Backbone interact. energy: -2.761
local terms energy: -482.862202
where:
bonds (distance) C4'-P energy: -89.987
bonds (distance) P-C4' energy: -100.761
flat angles C4'-P-C4' energy: -110.686
flat angles P-C4'-P energy: -59.530
tors. eta vs tors. theta energy: -121.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1415.168667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.168667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.168667 (E_RNA)
where:
Base-Base interactions energy: -942.899
where: short stacking energy: -446.766
Base-Backbone interact. energy: -2.781
local terms energy: -469.487826
where:
bonds (distance) C4'-P energy: -85.925
bonds (distance) P-C4' energy: -88.753
flat angles C4'-P-C4' energy: -94.942
flat angles P-C4'-P energy: -65.728
tors. eta vs tors. theta energy: -134.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1339.043767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.043767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.043767 (E_RNA)
where:
Base-Base interactions energy: -914.550
where: short stacking energy: -389.240
Base-Backbone interact. energy: -1.531
local terms energy: -422.962923
where:
bonds (distance) C4'-P energy: -82.485
bonds (distance) P-C4' energy: -72.212
flat angles C4'-P-C4' energy: -99.828
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -115.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1281.546393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.546393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.546393 (E_RNA)
where:
Base-Base interactions energy: -877.217
where: short stacking energy: -391.529
Base-Backbone interact. energy: -1.000
local terms energy: -403.330073
where:
bonds (distance) C4'-P energy: -83.865
bonds (distance) P-C4' energy: -77.784
flat angles C4'-P-C4' energy: -86.685
flat angles P-C4'-P energy: -62.040
tors. eta vs tors. theta energy: -92.957
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: 312
Temperature: 1.150000
Total energy: -1136.608158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.608158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.608158 (E_RNA)
where:
Base-Base interactions energy: -770.140
where: short stacking energy: -323.374
Base-Backbone interact. energy: -3.953
local terms energy: -362.514789
where:
bonds (distance) C4'-P energy: -71.569
bonds (distance) P-C4' energy: -83.688
flat angles C4'-P-C4' energy: -85.226
flat angles P-C4'-P energy: -53.442
tors. eta vs tors. theta energy: -68.590
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: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1090.340303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.340303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.340303 (E_RNA)
where:
Base-Base interactions energy: -728.002
where: short stacking energy: -301.994
Base-Backbone interact. energy: 1.388
local terms energy: -363.725898
where:
bonds (distance) C4'-P energy: -72.479
bonds (distance) P-C4' energy: -83.364
flat angles C4'-P-C4' energy: -88.957
flat angles P-C4'-P energy: -40.061
tors. eta vs tors. theta energy: -78.864
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: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -929.591695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.591695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.591695 (E_RNA)
where:
Base-Base interactions energy: -593.421
where: short stacking energy: -278.949
Base-Backbone interact. energy: 2.687
local terms energy: -338.857485
where:
bonds (distance) C4'-P energy: -80.468
bonds (distance) P-C4' energy: -93.945
flat angles C4'-P-C4' energy: -77.544
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -52.886
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: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -798.124308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.124308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.124308 (E_RNA)
where:
Base-Base interactions energy: -497.674
where: short stacking energy: -241.615
Base-Backbone interact. energy: -1.050
local terms energy: -299.400143
where:
bonds (distance) C4'-P energy: -71.294
bonds (distance) P-C4' energy: -73.026
flat angles C4'-P-C4' energy: -63.198
flat angles P-C4'-P energy: -55.481
tors. eta vs tors. theta energy: -36.401
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: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -727.395939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.395939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.395939 (E_RNA)
where:
Base-Base interactions energy: -460.010
where: short stacking energy: -220.586
Base-Backbone interact. energy: -0.535
local terms energy: -266.850849
where:
bonds (distance) C4'-P energy: -75.566
bonds (distance) P-C4' energy: -76.756
flat angles C4'-P-C4' energy: -69.793
flat angles P-C4'-P energy: -27.624
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1563.399968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.399968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.399968 (E_RNA)
where:
Base-Base interactions energy: -1094.559
where: short stacking energy: -458.095
Base-Backbone interact. energy: -1.399
local terms energy: -467.442277
where:
bonds (distance) C4'-P energy: -83.710
bonds (distance) P-C4' energy: -95.596
flat angles C4'-P-C4' energy: -104.854
flat angles P-C4'-P energy: -69.947
tors. eta vs tors. theta energy: -113.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1515.348307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.348307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.348307 (E_RNA)
where:
Base-Base interactions energy: -1041.730
where: short stacking energy: -425.031
Base-Backbone interact. energy: -2.159
local terms energy: -471.459295
where:
bonds (distance) C4'-P energy: -88.796
bonds (distance) P-C4' energy: -90.379
flat angles C4'-P-C4' energy: -100.889
flat angles P-C4'-P energy: -67.802
tors. eta vs tors. theta energy: -123.593
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: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1426.749291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.749291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.749291 (E_RNA)
where:
Base-Base interactions energy: -962.066
where: short stacking energy: -451.767
Base-Backbone interact. energy: -0.122
local terms energy: -464.560480
where:
bonds (distance) C4'-P energy: -85.821
bonds (distance) P-C4' energy: -85.645
flat angles C4'-P-C4' energy: -98.888
flat angles P-C4'-P energy: -67.866
tors. eta vs tors. theta energy: -126.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1366.112423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.112423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.112423 (E_RNA)
where:
Base-Base interactions energy: -925.169
where: short stacking energy: -404.425
Base-Backbone interact. energy: -1.000
local terms energy: -439.943639
where:
bonds (distance) C4'-P energy: -90.412
bonds (distance) P-C4' energy: -77.581
flat angles C4'-P-C4' energy: -102.214
flat angles P-C4'-P energy: -62.895
tors. eta vs tors. theta energy: -106.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1283.841365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.841365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.841365 (E_RNA)
where:
Base-Base interactions energy: -858.811
where: short stacking energy: -379.664
Base-Backbone interact. energy: -3.131
local terms energy: -421.899191
where:
bonds (distance) C4'-P energy: -84.180
bonds (distance) P-C4' energy: -83.325
flat angles C4'-P-C4' energy: -89.720
flat angles P-C4'-P energy: -67.582
tors. eta vs tors. theta energy: -97.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1133.052337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.052337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.052337 (E_RNA)
where:
Base-Base interactions energy: -753.124
where: short stacking energy: -338.738
Base-Backbone interact. energy: -2.470
local terms energy: -377.458303
where:
bonds (distance) C4'-P energy: -85.691
bonds (distance) P-C4' energy: -75.597
flat angles C4'-P-C4' energy: -79.034
flat angles P-C4'-P energy: -52.507
tors. eta vs tors. theta energy: -84.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1017.969393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.969393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.969393 (E_RNA)
where:
Base-Base interactions energy: -638.801
where: short stacking energy: -313.664
Base-Backbone interact. energy: 0.835
local terms energy: -380.003417
where:
bonds (distance) C4'-P energy: -77.910
bonds (distance) P-C4' energy: -90.917
flat angles C4'-P-C4' energy: -84.501
flat angles P-C4'-P energy: -52.992
tors. eta vs tors. theta energy: -73.684
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: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1005.025985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.025985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.025985 (E_RNA)
where:
Base-Base interactions energy: -658.128
where: short stacking energy: -316.277
Base-Backbone interact. energy: 2.389
local terms energy: -349.286458
where:
bonds (distance) C4'-P energy: -71.115
bonds (distance) P-C4' energy: -78.972
flat angles C4'-P-C4' energy: -73.511
flat angles P-C4'-P energy: -56.029
tors. eta vs tors. theta energy: -69.659
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: 313
Temperature: 1.300000
Total energy: -809.633986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.633986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.633986 (E_RNA)
where:
Base-Base interactions energy: -512.412
where: short stacking energy: -231.280
Base-Backbone interact. energy: 7.969
local terms energy: -305.191448
where:
bonds (distance) C4'-P energy: -55.927
bonds (distance) P-C4' energy: -87.021
flat angles C4'-P-C4' energy: -76.640
flat angles P-C4'-P energy: -56.436
tors. eta vs tors. theta energy: -29.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -716.899305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.899305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.899305 (E_RNA)
where:
Base-Base interactions energy: -415.003
where: short stacking energy: -185.588
Base-Backbone interact. energy: -2.202
local terms energy: -299.695140
where:
bonds (distance) C4'-P energy: -73.066
bonds (distance) P-C4' energy: -86.849
flat angles C4'-P-C4' energy: -80.319
flat angles P-C4'-P energy: -39.076
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1572.748596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.748596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.748596 (E_RNA)
where:
Base-Base interactions energy: -1092.000
where: short stacking energy: -454.905
Base-Backbone interact. energy: -1.868
local terms energy: -478.880361
where:
bonds (distance) C4'-P energy: -82.066
bonds (distance) P-C4' energy: -91.093
flat angles C4'-P-C4' energy: -107.129
flat angles P-C4'-P energy: -68.681
tors. eta vs tors. theta energy: -129.913
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: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1493.575296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.575296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.575296 (E_RNA)
where:
Base-Base interactions energy: -1037.111
where: short stacking energy: -431.441
Base-Backbone interact. energy: -0.992
local terms energy: -455.472447
where:
bonds (distance) C4'-P energy: -77.582
bonds (distance) P-C4' energy: -95.300
flat angles C4'-P-C4' energy: -105.167
flat angles P-C4'-P energy: -69.522
tors. eta vs tors. theta energy: -107.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1454.639995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.639995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.639995 (E_RNA)
where:
Base-Base interactions energy: -957.097
where: short stacking energy: -458.117
Base-Backbone interact. energy: -1.620
local terms energy: -495.922855
where:
bonds (distance) C4'-P energy: -84.508
bonds (distance) P-C4' energy: -98.032
flat angles C4'-P-C4' energy: -105.605
flat angles P-C4'-P energy: -75.581
tors. eta vs tors. theta energy: -132.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1370.916588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.916588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.916588 (E_RNA)
where:
Base-Base interactions energy: -932.989
where: short stacking energy: -420.136
Base-Backbone interact. energy: -1.120
local terms energy: -436.807571
where:
bonds (distance) C4'-P energy: -78.261
bonds (distance) P-C4' energy: -88.478
flat angles C4'-P-C4' energy: -92.988
flat angles P-C4'-P energy: -67.029
tors. eta vs tors. theta energy: -110.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1191.758926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.758926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.758926 (E_RNA)
where:
Base-Base interactions energy: -800.887
where: short stacking energy: -362.842
Base-Backbone interact. energy: -0.295
local terms energy: -390.576891
where:
bonds (distance) C4'-P energy: -74.559
bonds (distance) P-C4' energy: -79.321
flat angles C4'-P-C4' energy: -83.426
flat angles P-C4'-P energy: -56.487
tors. eta vs tors. theta energy: -96.784
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: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1204.226784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.226784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.226784 (E_RNA)
where:
Base-Base interactions energy: -821.473
where: short stacking energy: -373.475
Base-Backbone interact. energy: 5.390
local terms energy: -388.143125
where:
bonds (distance) C4'-P energy: -75.175
bonds (distance) P-C4' energy: -76.866
flat angles C4'-P-C4' energy: -89.891
flat angles P-C4'-P energy: -56.751
tors. eta vs tors. theta energy: -89.460
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: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1051.175928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.175928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.175928 (E_RNA)
where:
Base-Base interactions energy: -685.407
where: short stacking energy: -301.035
Base-Backbone interact. energy: 0.580
local terms energy: -366.349388
where:
bonds (distance) C4'-P energy: -78.868
bonds (distance) P-C4' energy: -82.028
flat angles C4'-P-C4' energy: -86.372
flat angles P-C4'-P energy: -52.725
tors. eta vs tors. theta energy: -66.356
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: 314
Temperature: 1.250000
Total energy: -986.067330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.067330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.067330 (E_RNA)
where:
Base-Base interactions energy: -663.802
where: short stacking energy: -294.302
Base-Backbone interact. energy: -2.321
local terms energy: -319.944425
where:
bonds (distance) C4'-P energy: -70.211
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -90.162
flat angles P-C4'-P energy: -29.647
tors. eta vs tors. theta energy: -63.611
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: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -823.973274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.973274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.973274 (E_RNA)
where:
Base-Base interactions energy: -496.871
where: short stacking energy: -231.593
Base-Backbone interact. energy: 2.264
local terms energy: -329.366344
where:
bonds (distance) C4'-P energy: -81.184
bonds (distance) P-C4' energy: -95.151
flat angles C4'-P-C4' energy: -73.684
flat angles P-C4'-P energy: -40.141
tors. eta vs tors. theta energy: -39.206
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: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -709.852251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.852251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.852251 (E_RNA)
where:
Base-Base interactions energy: -412.584
where: short stacking energy: -197.010
Base-Backbone interact. energy: 0.322
local terms energy: -297.590690
where:
bonds (distance) C4'-P energy: -80.126
bonds (distance) P-C4' energy: -83.433
flat angles C4'-P-C4' energy: -68.424
flat angles P-C4'-P energy: -40.374
tors. eta vs tors. theta energy: -25.233
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: 1, replica: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1571.226348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.226348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.226348 (E_RNA)
where:
Base-Base interactions energy: -1074.991
where: short stacking energy: -461.201
Base-Backbone interact. energy: 0.024
local terms energy: -496.259990
where:
bonds (distance) C4'-P energy: -95.050
bonds (distance) P-C4' energy: -94.432
flat angles C4'-P-C4' energy: -105.015
flat angles P-C4'-P energy: -71.675
tors. eta vs tors. theta energy: -130.087
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: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1519.181042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.181042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.181042 (E_RNA)
where:
Base-Base interactions energy: -1044.685
where: short stacking energy: -430.294
Base-Backbone interact. energy: -3.088
local terms energy: -471.408371
where:
bonds (distance) C4'-P energy: -91.563
bonds (distance) P-C4' energy: -94.759
flat angles C4'-P-C4' energy: -98.573
flat angles P-C4'-P energy: -71.070
tors. eta vs tors. theta energy: -115.443
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: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1448.514891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.514891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.514891 (E_RNA)
where:
Base-Base interactions energy: -981.394
where: short stacking energy: -441.467
Base-Backbone interact. energy: -4.113
local terms energy: -463.008112
where:
bonds (distance) C4'-P energy: -82.035
bonds (distance) P-C4' energy: -89.220
flat angles C4'-P-C4' energy: -99.741
flat angles P-C4'-P energy: -55.353
tors. eta vs tors. theta energy: -136.659
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: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1342.410660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.410660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.410660 (E_RNA)
where:
Base-Base interactions energy: -911.004
where: short stacking energy: -399.357
Base-Backbone interact. energy: 1.682
local terms energy: -433.088851
where:
bonds (distance) C4'-P energy: -77.736
bonds (distance) P-C4' energy: -90.265
flat angles C4'-P-C4' energy: -92.264
flat angles P-C4'-P energy: -56.748
tors. eta vs tors. theta energy: -116.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1235.140596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.140596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.140596 (E_RNA)
where:
Base-Base interactions energy: -847.820
where: short stacking energy: -379.207
Base-Backbone interact. energy: -0.508
local terms energy: -386.812566
where:
bonds (distance) C4'-P energy: -65.541
bonds (distance) P-C4' energy: -72.323
flat angles C4'-P-C4' energy: -97.310
flat angles P-C4'-P energy: -64.859
tors. eta vs tors. theta energy: -86.779
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: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1275.126475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.126475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.126475 (E_RNA)
where:
Base-Base interactions energy: -866.188
where: short stacking energy: -357.172
Base-Backbone interact. energy: -2.204
local terms energy: -406.734282
where:
bonds (distance) C4'-P energy: -78.888
bonds (distance) P-C4' energy: -75.085
flat angles C4'-P-C4' energy: -94.089
flat angles P-C4'-P energy: -53.563
tors. eta vs tors. theta energy: -105.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1086.610116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.610116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.610116 (E_RNA)
where:
Base-Base interactions energy: -737.643
where: short stacking energy: -329.293
Base-Backbone interact. energy: -1.682
local terms energy: -347.285785
where:
bonds (distance) C4'-P energy: -51.169
bonds (distance) P-C4' energy: -75.777
flat angles C4'-P-C4' energy: -77.284
flat angles P-C4'-P energy: -64.169
tors. eta vs tors. theta energy: -78.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -950.109102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.109102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.109102 (E_RNA)
where:
Base-Base interactions energy: -633.711
where: short stacking energy: -282.806
Base-Backbone interact. energy: -4.013
local terms energy: -312.385450
where:
bonds (distance) C4'-P energy: -67.614
bonds (distance) P-C4' energy: -84.321
flat angles C4'-P-C4' energy: -77.161
flat angles P-C4'-P energy: -38.411
tors. eta vs tors. theta energy: -44.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -834.493300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.493300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.493300 (E_RNA)
where:
Base-Base interactions energy: -503.639
where: short stacking energy: -237.858
Base-Backbone interact. energy: -2.578
local terms energy: -328.276083
where:
bonds (distance) C4'-P energy: -87.010
bonds (distance) P-C4' energy: -81.345
flat angles C4'-P-C4' energy: -70.965
flat angles P-C4'-P energy: -46.922
tors. eta vs tors. theta energy: -42.034
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: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -685.786566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.786566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.786566 (E_RNA)
where:
Base-Base interactions energy: -425.509
where: short stacking energy: -193.126
Base-Backbone interact. energy: 7.075
local terms energy: -267.352410
where:
bonds (distance) C4'-P energy: -74.620
bonds (distance) P-C4' energy: -78.449
flat angles C4'-P-C4' energy: -49.642
flat angles P-C4'-P energy: -48.342
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1546.107391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.107391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.107391 (E_RNA)
where:
Base-Base interactions energy: -1061.487
where: short stacking energy: -446.065
Base-Backbone interact. energy: -4.294
local terms energy: -480.325763
where:
bonds (distance) C4'-P energy: -87.659
bonds (distance) P-C4' energy: -100.610
flat angles C4'-P-C4' energy: -99.241
flat angles P-C4'-P energy: -67.797
tors. eta vs tors. theta energy: -125.019
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: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1518.555900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.555900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.555900 (E_RNA)
where:
Base-Base interactions energy: -1069.374
where: short stacking energy: -444.504
Base-Backbone interact. energy: -3.955
local terms energy: -445.226863
where:
bonds (distance) C4'-P energy: -85.358
bonds (distance) P-C4' energy: -91.970
flat angles C4'-P-C4' energy: -86.932
flat angles P-C4'-P energy: -62.526
tors. eta vs tors. theta energy: -118.441
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: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1444.606669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.606669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.606669 (E_RNA)
where:
Base-Base interactions energy: -997.737
where: short stacking energy: -442.297
Base-Backbone interact. energy: -0.535
local terms energy: -446.335255
where:
bonds (distance) C4'-P energy: -77.575
bonds (distance) P-C4' energy: -84.024
flat angles C4'-P-C4' energy: -101.890
flat angles P-C4'-P energy: -63.284
tors. eta vs tors. theta energy: -119.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1350.920686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.920686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.920686 (E_RNA)
where:
Base-Base interactions energy: -926.800
where: short stacking energy: -397.180
Base-Backbone interact. energy: -2.727
local terms energy: -421.393697
where:
bonds (distance) C4'-P energy: -82.574
bonds (distance) P-C4' energy: -83.732
flat angles C4'-P-C4' energy: -93.136
flat angles P-C4'-P energy: -58.302
tors. eta vs tors. theta energy: -103.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1297.213091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.213091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.213091 (E_RNA)
where:
Base-Base interactions energy: -878.925
where: short stacking energy: -405.217
Base-Backbone interact. energy: -2.539
local terms energy: -415.748739
where:
bonds (distance) C4'-P energy: -79.786
bonds (distance) P-C4' energy: -88.674
flat angles C4'-P-C4' energy: -85.004
flat angles P-C4'-P energy: -51.537
tors. eta vs tors. theta energy: -110.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1207.193986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.193986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.193986 (E_RNA)
where:
Base-Base interactions energy: -799.270
where: short stacking energy: -352.951
Base-Backbone interact. energy: 3.929
local terms energy: -411.852744
where:
bonds (distance) C4'-P energy: -87.163
bonds (distance) P-C4' energy: -83.718
flat angles C4'-P-C4' energy: -89.242
flat angles P-C4'-P energy: -53.790
tors. eta vs tors. theta energy: -97.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1092.066292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.066292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.066292 (E_RNA)
where:
Base-Base interactions energy: -736.209
where: short stacking energy: -318.027
Base-Backbone interact. energy: -3.119
local terms energy: -352.738662
where:
bonds (distance) C4'-P energy: -75.605
bonds (distance) P-C4' energy: -83.168
flat angles C4'-P-C4' energy: -87.595
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -73.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -968.906865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.906865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.906865 (E_RNA)
where:
Base-Base interactions energy: -623.786
where: short stacking energy: -292.013
Base-Backbone interact. energy: 0.058
local terms energy: -345.178845
where:
bonds (distance) C4'-P energy: -76.416
bonds (distance) P-C4' energy: -72.571
flat angles C4'-P-C4' energy: -81.710
flat angles P-C4'-P energy: -58.326
tors. eta vs tors. theta energy: -56.156
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: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -805.368736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.368736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.368736 (E_RNA)
where:
Base-Base interactions energy: -518.859
where: short stacking energy: -215.396
Base-Backbone interact. energy: -1.349
local terms energy: -285.160854
where:
bonds (distance) C4'-P energy: -62.695
bonds (distance) P-C4' energy: -92.811
flat angles C4'-P-C4' energy: -54.682
flat angles P-C4'-P energy: -44.834
tors. eta vs tors. theta energy: -30.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -705.209162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.209162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.209162 (E_RNA)
where:
Base-Base interactions energy: -411.177
where: short stacking energy: -204.163
Base-Backbone interact. energy: -2.380
local terms energy: -291.652188
where:
bonds (distance) C4'-P energy: -80.661
bonds (distance) P-C4' energy: -63.024
flat angles C4'-P-C4' energy: -68.986
flat angles P-C4'-P energy: -55.267
tors. eta vs tors. theta energy: -23.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1577.035526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.035526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.035526 (E_RNA)
where:
Base-Base interactions energy: -1102.769
where: short stacking energy: -496.087
Base-Backbone interact. energy: -2.665
local terms energy: -471.601415
where:
bonds (distance) C4'-P energy: -85.070
bonds (distance) P-C4' energy: -93.650
flat angles C4'-P-C4' energy: -96.379
flat angles P-C4'-P energy: -62.196
tors. eta vs tors. theta energy: -134.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1518.232281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.232281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.232281 (E_RNA)
where:
Base-Base interactions energy: -1067.718
where: short stacking energy: -438.537
Base-Backbone interact. energy: 1.216
local terms energy: -451.729779
where:
bonds (distance) C4'-P energy: -95.754
bonds (distance) P-C4' energy: -85.536
flat angles C4'-P-C4' energy: -96.458
flat angles P-C4'-P energy: -58.624
tors. eta vs tors. theta energy: -115.358
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: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1408.626376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.626376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.626376 (E_RNA)
where:
Base-Base interactions energy: -954.608
where: short stacking energy: -423.390
Base-Backbone interact. energy: -3.323
local terms energy: -450.695395
where:
bonds (distance) C4'-P energy: -81.379
bonds (distance) P-C4' energy: -93.142
flat angles C4'-P-C4' energy: -90.577
flat angles P-C4'-P energy: -66.569
tors. eta vs tors. theta energy: -119.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1349.646417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.646417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.646417 (E_RNA)
where:
Base-Base interactions energy: -907.313
where: short stacking energy: -400.098
Base-Backbone interact. energy: 0.476
local terms energy: -442.808782
where:
bonds (distance) C4'-P energy: -91.577
bonds (distance) P-C4' energy: -87.483
flat angles C4'-P-C4' energy: -95.172
flat angles P-C4'-P energy: -63.274
tors. eta vs tors. theta energy: -105.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1277.255142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.255142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.255142 (E_RNA)
where:
Base-Base interactions energy: -864.649
where: short stacking energy: -351.634
Base-Backbone interact. energy: 3.797
local terms energy: -416.402331
where:
bonds (distance) C4'-P energy: -78.055
bonds (distance) P-C4' energy: -90.669
flat angles C4'-P-C4' energy: -86.706
flat angles P-C4'-P energy: -67.300
tors. eta vs tors. theta energy: -93.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1200.120078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.120078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.120078 (E_RNA)
where:
Base-Base interactions energy: -801.600
where: short stacking energy: -352.759
Base-Backbone interact. energy: -2.450
local terms energy: -396.070075
where:
bonds (distance) C4'-P energy: -70.617
bonds (distance) P-C4' energy: -96.367
flat angles C4'-P-C4' energy: -77.682
flat angles P-C4'-P energy: -65.234
tors. eta vs tors. theta energy: -86.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1032.055276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.055276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.055276 (E_RNA)
where:
Base-Base interactions energy: -662.109
where: short stacking energy: -282.639
Base-Backbone interact. energy: -2.961
local terms energy: -366.985406
where:
bonds (distance) C4'-P energy: -75.005
bonds (distance) P-C4' energy: -73.069
flat angles C4'-P-C4' energy: -91.724
flat angles P-C4'-P energy: -53.981
tors. eta vs tors. theta energy: -73.205
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: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -928.581530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.581530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.581530 (E_RNA)
where:
Base-Base interactions energy: -600.208
where: short stacking energy: -257.226
Base-Backbone interact. energy: -0.688
local terms energy: -327.685415
where:
bonds (distance) C4'-P energy: -84.968
bonds (distance) P-C4' energy: -65.556
flat angles C4'-P-C4' energy: -74.546
flat angles P-C4'-P energy: -55.996
tors. eta vs tors. theta energy: -46.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -799.319249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.319249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.319249 (E_RNA)
where:
Base-Base interactions energy: -515.604
where: short stacking energy: -241.714
Base-Backbone interact. energy: 2.267
local terms energy: -285.981580
where:
bonds (distance) C4'-P energy: -77.891
bonds (distance) P-C4' energy: -50.638
flat angles C4'-P-C4' energy: -73.870
flat angles P-C4'-P energy: -47.275
tors. eta vs tors. theta energy: -36.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -696.254945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.254945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.254945 (E_RNA)
where:
Base-Base interactions energy: -429.362
where: short stacking energy: -188.305
Base-Backbone interact. energy: 1.714
local terms energy: -268.606926
where:
bonds (distance) C4'-P energy: -62.914
bonds (distance) P-C4' energy: -83.195
flat angles C4'-P-C4' energy: -71.419
flat angles P-C4'-P energy: -43.788
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1560.294080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.294080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.294080 (E_RNA)
where:
Base-Base interactions energy: -1089.130
where: short stacking energy: -464.393
Base-Backbone interact. energy: -3.468
local terms energy: -467.695938
where:
bonds (distance) C4'-P energy: -90.251
bonds (distance) P-C4' energy: -96.636
flat angles C4'-P-C4' energy: -105.626
flat angles P-C4'-P energy: -53.204
tors. eta vs tors. theta energy: -121.979
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: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1524.180771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.180771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.180771 (E_RNA)
where:
Base-Base interactions energy: -1078.854
where: short stacking energy: -435.065
Base-Backbone interact. energy: -3.017
local terms energy: -442.310311
where:
bonds (distance) C4'-P energy: -89.790
bonds (distance) P-C4' energy: -83.853
flat angles C4'-P-C4' energy: -107.366
flat angles P-C4'-P energy: -54.447
tors. eta vs tors. theta energy: -106.855
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: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1444.867319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.867319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.867319 (E_RNA)
where:
Base-Base interactions energy: -960.278
where: short stacking energy: -434.495
Base-Backbone interact. energy: -0.934
local terms energy: -483.655460
where:
bonds (distance) C4'-P energy: -83.652
bonds (distance) P-C4' energy: -89.194
flat angles C4'-P-C4' energy: -103.201
flat angles P-C4'-P energy: -65.362
tors. eta vs tors. theta energy: -142.246
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: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1369.967741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.967741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.967741 (E_RNA)
where:
Base-Base interactions energy: -916.863
where: short stacking energy: -400.439
Base-Backbone interact. energy: -0.663
local terms energy: -452.441797
where:
bonds (distance) C4'-P energy: -73.929
bonds (distance) P-C4' energy: -96.333
flat angles C4'-P-C4' energy: -97.601
flat angles P-C4'-P energy: -70.508
tors. eta vs tors. theta energy: -114.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1284.531937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.531937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.531937 (E_RNA)
where:
Base-Base interactions energy: -879.094
where: short stacking energy: -362.111
Base-Backbone interact. energy: -0.435
local terms energy: -405.002784
where:
bonds (distance) C4'-P energy: -76.028
bonds (distance) P-C4' energy: -92.771
flat angles C4'-P-C4' energy: -83.628
flat angles P-C4'-P energy: -59.945
tors. eta vs tors. theta energy: -92.630
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: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1150.276321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.276321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.276321 (E_RNA)
where:
Base-Base interactions energy: -785.502
where: short stacking energy: -331.725
Base-Backbone interact. energy: -1.965
local terms energy: -362.809433
where:
bonds (distance) C4'-P energy: -72.962
bonds (distance) P-C4' energy: -87.756
flat angles C4'-P-C4' energy: -81.840
flat angles P-C4'-P energy: -49.020
tors. eta vs tors. theta energy: -71.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -995.760892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.760892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.760892 (E_RNA)
where:
Base-Base interactions energy: -659.549
where: short stacking energy: -269.506
Base-Backbone interact. energy: -1.108
local terms energy: -335.104077
where:
bonds (distance) C4'-P energy: -71.934
bonds (distance) P-C4' energy: -87.983
flat angles C4'-P-C4' energy: -80.640
flat angles P-C4'-P energy: -56.437
tors. eta vs tors. theta energy: -38.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -987.591299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.591299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.591299 (E_RNA)
where:
Base-Base interactions energy: -681.923
where: short stacking energy: -285.632
Base-Backbone interact. energy: -3.250
local terms energy: -302.417987
where:
bonds (distance) C4'-P energy: -71.353
bonds (distance) P-C4' energy: -71.953
flat angles C4'-P-C4' energy: -77.201
flat angles P-C4'-P energy: -33.280
tors. eta vs tors. theta energy: -48.631
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: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -750.942858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.942858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.942858 (E_RNA)
where:
Base-Base interactions energy: -444.608
where: short stacking energy: -230.062
Base-Backbone interact. energy: -0.731
local terms energy: -305.604780
where:
bonds (distance) C4'-P energy: -72.349
bonds (distance) P-C4' energy: -75.043
flat angles C4'-P-C4' energy: -66.657
flat angles P-C4'-P energy: -52.510
tors. eta vs tors. theta energy: -39.046
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: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -672.610393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.610393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.610393 (E_RNA)
where:
Base-Base interactions energy: -403.009
where: short stacking energy: -182.985
Base-Backbone interact. energy: 5.908
local terms energy: -275.510249
where:
bonds (distance) C4'-P energy: -72.372
bonds (distance) P-C4' energy: -77.040
flat angles C4'-P-C4' energy: -64.531
flat angles P-C4'-P energy: -36.715
tors. eta vs tors. theta energy: -24.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1553.152100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.152100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.152100 (E_RNA)
where:
Base-Base interactions energy: -1092.294
where: short stacking energy: -473.830
Base-Backbone interact. energy: -2.906
local terms energy: -457.951487
where:
bonds (distance) C4'-P energy: -80.127
bonds (distance) P-C4' energy: -88.506
flat angles C4'-P-C4' energy: -102.258
flat angles P-C4'-P energy: -55.683
tors. eta vs tors. theta energy: -131.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1518.575752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.575752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.575752 (E_RNA)
where:
Base-Base interactions energy: -1058.473
where: short stacking energy: -428.704
Base-Backbone interact. energy: -2.551
local terms energy: -457.552217
where:
bonds (distance) C4'-P energy: -86.093
bonds (distance) P-C4' energy: -89.462
flat angles C4'-P-C4' energy: -108.027
flat angles P-C4'-P energy: -61.401
tors. eta vs tors. theta energy: -112.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1428.256530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.256530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.256530 (E_RNA)
where:
Base-Base interactions energy: -959.207
where: short stacking energy: -441.790
Base-Backbone interact. energy: -1.965
local terms energy: -467.084571
where:
bonds (distance) C4'-P energy: -105.973
bonds (distance) P-C4' energy: -77.582
flat angles C4'-P-C4' energy: -88.276
flat angles P-C4'-P energy: -72.264
tors. eta vs tors. theta energy: -122.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1362.404205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.404205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.404205 (E_RNA)
where:
Base-Base interactions energy: -933.522
where: short stacking energy: -401.560
Base-Backbone interact. energy: -2.696
local terms energy: -426.186416
where:
bonds (distance) C4'-P energy: -74.030
bonds (distance) P-C4' energy: -91.409
flat angles C4'-P-C4' energy: -87.542
flat angles P-C4'-P energy: -67.879
tors. eta vs tors. theta energy: -105.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1296.483456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.483456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.483456 (E_RNA)
where:
Base-Base interactions energy: -873.684
where: short stacking energy: -371.966
Base-Backbone interact. energy: -2.045
local terms energy: -420.754101
where:
bonds (distance) C4'-P energy: -80.698
bonds (distance) P-C4' energy: -74.964
flat angles C4'-P-C4' energy: -101.582
flat angles P-C4'-P energy: -64.037
tors. eta vs tors. theta energy: -99.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1172.648213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.648213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.648213 (E_RNA)
where:
Base-Base interactions energy: -777.191
where: short stacking energy: -351.566
Base-Backbone interact. energy: 0.887
local terms energy: -396.343627
where:
bonds (distance) C4'-P energy: -84.715
bonds (distance) P-C4' energy: -80.881
flat angles C4'-P-C4' energy: -97.725
flat angles P-C4'-P energy: -48.356
tors. eta vs tors. theta energy: -84.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -969.185689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.185689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.185689 (E_RNA)
where:
Base-Base interactions energy: -629.771
where: short stacking energy: -296.175
Base-Backbone interact. energy: -0.211
local terms energy: -339.203266
where:
bonds (distance) C4'-P energy: -66.197
bonds (distance) P-C4' energy: -74.317
flat angles C4'-P-C4' energy: -95.441
flat angles P-C4'-P energy: -47.896
tors. eta vs tors. theta energy: -55.352
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: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -934.412672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.412672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.412672 (E_RNA)
where:
Base-Base interactions energy: -622.376
where: short stacking energy: -269.350
Base-Backbone interact. energy: 4.540
local terms energy: -316.576786
where:
bonds (distance) C4'-P energy: -86.999
bonds (distance) P-C4' energy: -68.615
flat angles C4'-P-C4' energy: -79.851
flat angles P-C4'-P energy: -34.216
tors. eta vs tors. theta energy: -46.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -741.938067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.938067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.938067 (E_RNA)
where:
Base-Base interactions energy: -443.749
where: short stacking energy: -214.907
Base-Backbone interact. energy: -0.750
local terms energy: -297.438966
where:
bonds (distance) C4'-P energy: -84.650
bonds (distance) P-C4' energy: -88.523
flat angles C4'-P-C4' energy: -67.345
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -19.171
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: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -666.695436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.695436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.695436 (E_RNA)
where:
Base-Base interactions energy: -424.326
where: short stacking energy: -215.804
Base-Backbone interact. energy: 1.732
local terms energy: -244.101895
where:
bonds (distance) C4'-P energy: -53.060
bonds (distance) P-C4' energy: -58.885
flat angles C4'-P-C4' energy: -72.919
flat angles P-C4'-P energy: -36.793
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1573.361463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.361463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.361463 (E_RNA)
where:
Base-Base interactions energy: -1082.682
where: short stacking energy: -448.136
Base-Backbone interact. energy: 3.532
local terms energy: -494.211719
where:
bonds (distance) C4'-P energy: -101.859
bonds (distance) P-C4' energy: -95.057
flat angles C4'-P-C4' energy: -108.476
flat angles P-C4'-P energy: -65.007
tors. eta vs tors. theta energy: -123.813
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: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1530.972974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.972974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.972974 (E_RNA)
where:
Base-Base interactions energy: -1072.190
where: short stacking energy: -444.731
Base-Backbone interact. energy: 0.342
local terms energy: -459.125543
where:
bonds (distance) C4'-P energy: -90.238
bonds (distance) P-C4' energy: -84.351
flat angles C4'-P-C4' energy: -100.412
flat angles P-C4'-P energy: -61.387
tors. eta vs tors. theta energy: -122.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1398.581329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.581329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.581329 (E_RNA)
where:
Base-Base interactions energy: -956.210
where: short stacking energy: -400.991
Base-Backbone interact. energy: 2.436
local terms energy: -444.807269
where:
bonds (distance) C4'-P energy: -81.592
bonds (distance) P-C4' energy: -92.274
flat angles C4'-P-C4' energy: -102.014
flat angles P-C4'-P energy: -68.577
tors. eta vs tors. theta energy: -100.349
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: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1415.934693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.934693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.934693 (E_RNA)
where:
Base-Base interactions energy: -958.306
where: short stacking energy: -432.464
Base-Backbone interact. energy: -2.981
local terms energy: -454.647292
where:
bonds (distance) C4'-P energy: -82.712
bonds (distance) P-C4' energy: -83.017
flat angles C4'-P-C4' energy: -90.149
flat angles P-C4'-P energy: -72.635
tors. eta vs tors. theta energy: -126.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1217.238451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.238451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.238451 (E_RNA)
where:
Base-Base interactions energy: -822.300
where: short stacking energy: -380.459
Base-Backbone interact. energy: -1.135
local terms energy: -393.803104
where:
bonds (distance) C4'-P energy: -90.187
bonds (distance) P-C4' energy: -71.445
flat angles C4'-P-C4' energy: -79.252
flat angles P-C4'-P energy: -59.179
tors. eta vs tors. theta energy: -93.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1225.935989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.935989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.935989 (E_RNA)
where:
Base-Base interactions energy: -839.423
where: short stacking energy: -369.654
Base-Backbone interact. energy: -1.324
local terms energy: -385.188349
where:
bonds (distance) C4'-P energy: -67.555
bonds (distance) P-C4' energy: -85.706
flat angles C4'-P-C4' energy: -90.300
flat angles P-C4'-P energy: -49.277
tors. eta vs tors. theta energy: -92.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -980.616363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.616363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.616363 (E_RNA)
where:
Base-Base interactions energy: -612.298
where: short stacking energy: -300.168
Base-Backbone interact. energy: -0.980
local terms energy: -367.338833
where:
bonds (distance) C4'-P energy: -83.264
bonds (distance) P-C4' energy: -81.124
flat angles C4'-P-C4' energy: -90.378
flat angles P-C4'-P energy: -44.255
tors. eta vs tors. theta energy: -68.318
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: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -966.402462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.402462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.402462 (E_RNA)
where:
Base-Base interactions energy: -610.765
where: short stacking energy: -272.852
Base-Backbone interact. energy: -0.533
local terms energy: -355.103981
where:
bonds (distance) C4'-P energy: -72.372
bonds (distance) P-C4' energy: -79.368
flat angles C4'-P-C4' energy: -77.116
flat angles P-C4'-P energy: -53.772
tors. eta vs tors. theta energy: -72.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -769.022776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.022776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.022776 (E_RNA)
where:
Base-Base interactions energy: -459.794
where: short stacking energy: -239.517
Base-Backbone interact. energy: -0.476
local terms energy: -308.753322
where:
bonds (distance) C4'-P energy: -73.868
bonds (distance) P-C4' energy: -76.108
flat angles C4'-P-C4' energy: -66.386
flat angles P-C4'-P energy: -52.313
tors. eta vs tors. theta energy: -40.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -644.041094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.041094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.041094 (E_RNA)
where:
Base-Base interactions energy: -371.397
where: short stacking energy: -177.510
Base-Backbone interact. energy: -0.385
local terms energy: -272.258566
where:
bonds (distance) C4'-P energy: -75.977
bonds (distance) P-C4' energy: -70.369
flat angles C4'-P-C4' energy: -74.570
flat angles P-C4'-P energy: -38.679
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1556.121733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.121733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.121733 (E_RNA)
where:
Base-Base interactions energy: -1083.138
where: short stacking energy: -446.457
Base-Backbone interact. energy: -4.442
local terms energy: -468.542366
where:
bonds (distance) C4'-P energy: -90.738
bonds (distance) P-C4' energy: -85.183
flat angles C4'-P-C4' energy: -108.326
flat angles P-C4'-P energy: -61.706
tors. eta vs tors. theta energy: -122.590
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: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1548.621721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.621721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.621721 (E_RNA)
where:
Base-Base interactions energy: -1057.402
where: short stacking energy: -458.706
Base-Backbone interact. energy: -0.455
local terms energy: -490.764312
where:
bonds (distance) C4'-P energy: -98.121
bonds (distance) P-C4' energy: -99.643
flat angles C4'-P-C4' energy: -106.590
flat angles P-C4'-P energy: -62.124
tors. eta vs tors. theta energy: -124.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1382.091747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.091747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.091747 (E_RNA)
where:
Base-Base interactions energy: -943.213
where: short stacking energy: -422.276
Base-Backbone interact. energy: -3.354
local terms energy: -435.524352
where:
bonds (distance) C4'-P energy: -90.603
bonds (distance) P-C4' energy: -83.867
flat angles C4'-P-C4' energy: -95.038
flat angles P-C4'-P energy: -61.436
tors. eta vs tors. theta energy: -104.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1400.462714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.462714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.462714 (E_RNA)
where:
Base-Base interactions energy: -961.850
where: short stacking energy: -415.483
Base-Backbone interact. energy: -0.895
local terms energy: -437.716816
where:
bonds (distance) C4'-P energy: -78.159
bonds (distance) P-C4' energy: -92.756
flat angles C4'-P-C4' energy: -84.347
flat angles P-C4'-P energy: -56.592
tors. eta vs tors. theta energy: -125.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1205.568540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.568540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.568540 (E_RNA)
where:
Base-Base interactions energy: -782.809
where: short stacking energy: -357.472
Base-Backbone interact. energy: -1.124
local terms energy: -421.635141
where:
bonds (distance) C4'-P energy: -96.135
bonds (distance) P-C4' energy: -87.135
flat angles C4'-P-C4' energy: -91.579
flat angles P-C4'-P energy: -64.499
tors. eta vs tors. theta energy: -82.288
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: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1234.536858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.536858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.536858 (E_RNA)
where:
Base-Base interactions energy: -848.923
where: short stacking energy: -352.453
Base-Backbone interact. energy: -0.801
local terms energy: -384.813096
where:
bonds (distance) C4'-P energy: -63.803
bonds (distance) P-C4' energy: -82.764
flat angles C4'-P-C4' energy: -94.487
flat angles P-C4'-P energy: -53.848
tors. eta vs tors. theta energy: -89.912
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: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1018.612143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.612143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.612143 (E_RNA)
where:
Base-Base interactions energy: -675.414
where: short stacking energy: -292.659
Base-Backbone interact. energy: -2.339
local terms energy: -340.858845
where:
bonds (distance) C4'-P energy: -71.270
bonds (distance) P-C4' energy: -69.857
flat angles C4'-P-C4' energy: -82.188
flat angles P-C4'-P energy: -55.701
tors. eta vs tors. theta energy: -61.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -939.606977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.606977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.606977 (E_RNA)
where:
Base-Base interactions energy: -625.546
where: short stacking energy: -249.684
Base-Backbone interact. energy: -1.057
local terms energy: -313.003697
where:
bonds (distance) C4'-P energy: -70.824
bonds (distance) P-C4' energy: -81.399
flat angles C4'-P-C4' energy: -71.285
flat angles P-C4'-P energy: -35.738
tors. eta vs tors. theta energy: -53.757
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: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -743.812556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.812556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.812556 (E_RNA)
where:
Base-Base interactions energy: -433.826
where: short stacking energy: -201.797
Base-Backbone interact. energy: 0.853
local terms energy: -310.839026
where:
bonds (distance) C4'-P energy: -93.199
bonds (distance) P-C4' energy: -81.339
flat angles C4'-P-C4' energy: -73.298
flat angles P-C4'-P energy: -37.778
tors. eta vs tors. theta energy: -25.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -603.158135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.158135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.158135 (E_RNA)
where:
Base-Base interactions energy: -364.343
where: short stacking energy: -174.865
Base-Backbone interact. energy: -1.084
local terms energy: -237.730992
where:
bonds (distance) C4'-P energy: -68.024
bonds (distance) P-C4' energy: -83.436
flat angles C4'-P-C4' energy: -53.188
flat angles P-C4'-P energy: -24.526
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: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1555.352868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.352868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.352868 (E_RNA)
where:
Base-Base interactions energy: -1089.143
where: short stacking energy: -447.148
Base-Backbone interact. energy: 1.882
local terms energy: -468.091603
where:
bonds (distance) C4'-P energy: -88.241
bonds (distance) P-C4' energy: -94.587
flat angles C4'-P-C4' energy: -102.056
flat angles P-C4'-P energy: -60.587
tors. eta vs tors. theta energy: -122.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1525.494103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.494103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.494103 (E_RNA)
where:
Base-Base interactions energy: -1044.544
where: short stacking energy: -456.515
Base-Backbone interact. energy: -3.945
local terms energy: -477.005488
where:
bonds (distance) C4'-P energy: -92.612
bonds (distance) P-C4' energy: -95.510
flat angles C4'-P-C4' energy: -101.058
flat angles P-C4'-P energy: -60.225
tors. eta vs tors. theta energy: -127.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1453.697888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.697888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.697888 (E_RNA)
where:
Base-Base interactions energy: -986.327
where: short stacking energy: -440.340
Base-Backbone interact. energy: -0.701
local terms energy: -466.669725
where:
bonds (distance) C4'-P energy: -86.832
bonds (distance) P-C4' energy: -84.993
flat angles C4'-P-C4' energy: -89.084
flat angles P-C4'-P energy: -68.655
tors. eta vs tors. theta energy: -137.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1370.059930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.059930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.059930 (E_RNA)
where:
Base-Base interactions energy: -942.487
where: short stacking energy: -386.264
Base-Backbone interact. energy: -2.822
local terms energy: -424.751234
where:
bonds (distance) C4'-P energy: -82.959
bonds (distance) P-C4' energy: -82.643
flat angles C4'-P-C4' energy: -90.718
flat angles P-C4'-P energy: -62.366
tors. eta vs tors. theta energy: -106.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1266.953064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.953064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.953064 (E_RNA)
where:
Base-Base interactions energy: -868.825
where: short stacking energy: -359.509
Base-Backbone interact. energy: 0.372
local terms energy: -398.499372
where:
bonds (distance) C4'-P energy: -79.356
bonds (distance) P-C4' energy: -82.558
flat angles C4'-P-C4' energy: -99.750
flat angles P-C4'-P energy: -47.381
tors. eta vs tors. theta energy: -89.454
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: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1220.953996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.953996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.953996 (E_RNA)
where:
Base-Base interactions energy: -833.733
where: short stacking energy: -347.916
Base-Backbone interact. energy: -1.934
local terms energy: -385.287499
where:
bonds (distance) C4'-P energy: -80.478
bonds (distance) P-C4' energy: -74.591
flat angles C4'-P-C4' energy: -90.985
flat angles P-C4'-P energy: -51.946
tors. eta vs tors. theta energy: -87.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1045.160188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.160188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.160188 (E_RNA)
where:
Base-Base interactions energy: -668.295
where: short stacking energy: -277.423
Base-Backbone interact. energy: -0.811
local terms energy: -376.054725
where:
bonds (distance) C4'-P energy: -85.138
bonds (distance) P-C4' energy: -83.511
flat angles C4'-P-C4' energy: -88.957
flat angles P-C4'-P energy: -57.245
tors. eta vs tors. theta energy: -61.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -984.483002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.483002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.483002 (E_RNA)
where:
Base-Base interactions energy: -623.793
where: short stacking energy: -291.991
Base-Backbone interact. energy: -0.858
local terms energy: -359.831808
where:
bonds (distance) C4'-P energy: -77.281
bonds (distance) P-C4' energy: -70.107
flat angles C4'-P-C4' energy: -96.005
flat angles P-C4'-P energy: -48.612
tors. eta vs tors. theta energy: -67.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -772.889605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.889605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.889605 (E_RNA)
where:
Base-Base interactions energy: -467.324
where: short stacking energy: -224.636
Base-Backbone interact. energy: -0.561
local terms energy: -305.004807
where:
bonds (distance) C4'-P energy: -76.886
bonds (distance) P-C4' energy: -71.625
flat angles C4'-P-C4' energy: -76.137
flat angles P-C4'-P energy: -45.579
tors. eta vs tors. theta energy: -34.778
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: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -597.081294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.081294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.081294 (E_RNA)
where:
Base-Base interactions energy: -335.164
where: short stacking energy: -149.619
Base-Backbone interact. energy: -1.968
local terms energy: -259.948843
where:
bonds (distance) C4'-P energy: -68.652
bonds (distance) P-C4' energy: -85.342
flat angles C4'-P-C4' energy: -56.609
flat angles P-C4'-P energy: -45.957
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: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1572.117493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.117493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.117493 (E_RNA)
where:
Base-Base interactions energy: -1107.921
where: short stacking energy: -483.835
Base-Backbone interact. energy: -1.181
local terms energy: -463.015168
where:
bonds (distance) C4'-P energy: -83.215
bonds (distance) P-C4' energy: -91.148
flat angles C4'-P-C4' energy: -99.219
flat angles P-C4'-P energy: -65.964
tors. eta vs tors. theta energy: -123.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1521.230530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.230530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.230530 (E_RNA)
where:
Base-Base interactions energy: -1053.797
where: short stacking energy: -441.470
Base-Backbone interact. energy: -1.805
local terms energy: -465.628300
where:
bonds (distance) C4'-P energy: -88.889
bonds (distance) P-C4' energy: -85.736
flat angles C4'-P-C4' energy: -102.046
flat angles P-C4'-P energy: -70.920
tors. eta vs tors. theta energy: -118.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1466.868825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.868825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.868825 (E_RNA)
where:
Base-Base interactions energy: -1023.365
where: short stacking energy: -443.187
Base-Backbone interact. energy: -1.662
local terms energy: -441.841652
where:
bonds (distance) C4'-P energy: -93.964
bonds (distance) P-C4' energy: -65.030
flat angles C4'-P-C4' energy: -97.030
flat angles P-C4'-P energy: -51.914
tors. eta vs tors. theta energy: -133.904
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: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1361.756908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.756908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.756908 (E_RNA)
where:
Base-Base interactions energy: -947.894
where: short stacking energy: -409.923
Base-Backbone interact. energy: -2.263
local terms energy: -411.599979
where:
bonds (distance) C4'-P energy: -85.394
bonds (distance) P-C4' energy: -85.579
flat angles C4'-P-C4' energy: -88.970
flat angles P-C4'-P energy: -51.240
tors. eta vs tors. theta energy: -100.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1298.369440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.369440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.369440 (E_RNA)
where:
Base-Base interactions energy: -847.874
where: short stacking energy: -398.728
Base-Backbone interact. energy: -0.960
local terms energy: -449.534946
where:
bonds (distance) C4'-P energy: -95.806
bonds (distance) P-C4' energy: -87.631
flat angles C4'-P-C4' energy: -92.186
flat angles P-C4'-P energy: -70.727
tors. eta vs tors. theta energy: -103.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1250.357435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.357435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.357435 (E_RNA)
where:
Base-Base interactions energy: -865.943
where: short stacking energy: -363.685
Base-Backbone interact. energy: -3.161
local terms energy: -381.253246
where:
bonds (distance) C4'-P energy: -73.780
bonds (distance) P-C4' energy: -75.790
flat angles C4'-P-C4' energy: -90.331
flat angles P-C4'-P energy: -52.485
tors. eta vs tors. theta energy: -88.867
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: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1053.247377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.247377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.247377 (E_RNA)
where:
Base-Base interactions energy: -673.948
where: short stacking energy: -309.118
Base-Backbone interact. energy: -1.640
local terms energy: -377.660031
where:
bonds (distance) C4'-P energy: -77.310
bonds (distance) P-C4' energy: -95.913
flat angles C4'-P-C4' energy: -79.067
flat angles P-C4'-P energy: -60.048
tors. eta vs tors. theta energy: -65.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1070.701598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.701598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.701598 (E_RNA)
where:
Base-Base interactions energy: -683.002
where: short stacking energy: -321.910
Base-Backbone interact. energy: -1.060
local terms energy: -386.639990
where:
bonds (distance) C4'-P energy: -76.786
bonds (distance) P-C4' energy: -76.556
flat angles C4'-P-C4' energy: -93.632
flat angles P-C4'-P energy: -52.276
tors. eta vs tors. theta energy: -87.389
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: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -775.075573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.075573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.075573 (E_RNA)
where:
Base-Base interactions energy: -466.057
where: short stacking energy: -241.693
Base-Backbone interact. energy: 0.228
local terms energy: -309.246709
where:
bonds (distance) C4'-P energy: -67.856
bonds (distance) P-C4' energy: -84.284
flat angles C4'-P-C4' energy: -73.917
flat angles P-C4'-P energy: -47.139
tors. eta vs tors. theta energy: -36.051
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: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -606.960546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.960546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.960546 (E_RNA)
where:
Base-Base interactions energy: -343.052
where: short stacking energy: -175.227
Base-Backbone interact. energy: 2.746
local terms energy: -266.654804
where:
bonds (distance) C4'-P energy: -64.710
bonds (distance) P-C4' energy: -90.105
flat angles C4'-P-C4' energy: -56.250
flat angles P-C4'-P energy: -42.637
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1559.895264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.895264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.895264 (E_RNA)
where:
Base-Base interactions energy: -1096.389
where: short stacking energy: -460.085
Base-Backbone interact. energy: -3.485
local terms energy: -460.021402
where:
bonds (distance) C4'-P energy: -93.159
bonds (distance) P-C4' energy: -90.327
flat angles C4'-P-C4' energy: -94.916
flat angles P-C4'-P energy: -58.914
tors. eta vs tors. theta energy: -122.704
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: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1506.833173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.833173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.833173 (E_RNA)
where:
Base-Base interactions energy: -1048.747
where: short stacking energy: -437.009
Base-Backbone interact. energy: 2.040
local terms energy: -460.126404
where:
bonds (distance) C4'-P energy: -72.558
bonds (distance) P-C4' energy: -99.248
flat angles C4'-P-C4' energy: -104.163
flat angles P-C4'-P energy: -66.339
tors. eta vs tors. theta energy: -117.818
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: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1465.479464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.479464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.479464 (E_RNA)
where:
Base-Base interactions energy: -990.009
where: short stacking energy: -426.446
Base-Backbone interact. energy: -3.925
local terms energy: -471.546088
where:
bonds (distance) C4'-P energy: -94.024
bonds (distance) P-C4' energy: -88.359
flat angles C4'-P-C4' energy: -105.050
flat angles P-C4'-P energy: -58.913
tors. eta vs tors. theta energy: -125.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1361.774050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.774050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.774050 (E_RNA)
where:
Base-Base interactions energy: -950.866
where: short stacking energy: -409.395
Base-Backbone interact. energy: -2.918
local terms energy: -407.990780
where:
bonds (distance) C4'-P energy: -81.149
bonds (distance) P-C4' energy: -79.730
flat angles C4'-P-C4' energy: -88.363
flat angles P-C4'-P energy: -48.024
tors. eta vs tors. theta energy: -110.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1210.850949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.850949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.850949 (E_RNA)
where:
Base-Base interactions energy: -818.136
where: short stacking energy: -373.126
Base-Backbone interact. energy: 2.911
local terms energy: -395.626171
where:
bonds (distance) C4'-P energy: -71.661
bonds (distance) P-C4' energy: -82.968
flat angles C4'-P-C4' energy: -94.415
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -101.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1273.556623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.556623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.556623 (E_RNA)
where:
Base-Base interactions energy: -888.934
where: short stacking energy: -358.191
Base-Backbone interact. energy: -2.377
local terms energy: -382.245382
where:
bonds (distance) C4'-P energy: -83.861
bonds (distance) P-C4' energy: -74.322
flat angles C4'-P-C4' energy: -80.851
flat angles P-C4'-P energy: -54.266
tors. eta vs tors. theta energy: -88.945
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: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1018.079658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.079658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.079658 (E_RNA)
where:
Base-Base interactions energy: -649.455
where: short stacking energy: -302.170
Base-Backbone interact. energy: -1.321
local terms energy: -367.303536
where:
bonds (distance) C4'-P energy: -81.127
bonds (distance) P-C4' energy: -77.766
flat angles C4'-P-C4' energy: -96.128
flat angles P-C4'-P energy: -59.161
tors. eta vs tors. theta energy: -53.122
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: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1003.487876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.487876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.487876 (E_RNA)
where:
Base-Base interactions energy: -700.384
where: short stacking energy: -314.946
Base-Backbone interact. energy: -0.400
local terms energy: -302.704108
where:
bonds (distance) C4'-P energy: -58.809
bonds (distance) P-C4' energy: -53.910
flat angles C4'-P-C4' energy: -83.259
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -61.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -851.984047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.984047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.984047 (E_RNA)
where:
Base-Base interactions energy: -541.106
where: short stacking energy: -229.789
Base-Backbone interact. energy: 1.988
local terms energy: -312.866773
where:
bonds (distance) C4'-P energy: -73.152
bonds (distance) P-C4' energy: -72.239
flat angles C4'-P-C4' energy: -81.141
flat angles P-C4'-P energy: -46.668
tors. eta vs tors. theta energy: -39.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -601.948860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.948860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.948860 (E_RNA)
where:
Base-Base interactions energy: -346.262
where: short stacking energy: -180.580
Base-Backbone interact. energy: -1.345
local terms energy: -254.341345
where:
bonds (distance) C4'-P energy: -76.318
bonds (distance) P-C4' energy: -77.830
flat angles C4'-P-C4' energy: -58.808
flat angles P-C4'-P energy: -32.395
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1585.330207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.330207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.330207 (E_RNA)
where:
Base-Base interactions energy: -1116.741
where: short stacking energy: -483.861
Base-Backbone interact. energy: -0.791
local terms energy: -467.798707
where:
bonds (distance) C4'-P energy: -97.546
bonds (distance) P-C4' energy: -82.467
flat angles C4'-P-C4' energy: -100.253
flat angles P-C4'-P energy: -60.788
tors. eta vs tors. theta energy: -126.745
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: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1533.558555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.558555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.558555 (E_RNA)
where:
Base-Base interactions energy: -1080.713
where: short stacking energy: -453.098
Base-Backbone interact. energy: -4.624
local terms energy: -448.221335
where:
bonds (distance) C4'-P energy: -85.956
bonds (distance) P-C4' energy: -85.940
flat angles C4'-P-C4' energy: -93.433
flat angles P-C4'-P energy: -62.267
tors. eta vs tors. theta energy: -120.624
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: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1467.745734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.745734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.745734 (E_RNA)
where:
Base-Base interactions energy: -975.049
where: short stacking energy: -427.205
Base-Backbone interact. energy: -1.722
local terms energy: -490.974311
where:
bonds (distance) C4'-P energy: -91.634
bonds (distance) P-C4' energy: -102.220
flat angles C4'-P-C4' energy: -99.042
flat angles P-C4'-P energy: -67.237
tors. eta vs tors. theta energy: -130.842
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: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1360.391174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.391174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.391174 (E_RNA)
where:
Base-Base interactions energy: -927.269
where: short stacking energy: -411.779
Base-Backbone interact. energy: 2.218
local terms energy: -435.339838
where:
bonds (distance) C4'-P energy: -82.809
bonds (distance) P-C4' energy: -89.483
flat angles C4'-P-C4' energy: -92.747
flat angles P-C4'-P energy: -60.512
tors. eta vs tors. theta energy: -109.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1190.094773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.094773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.094773 (E_RNA)
where:
Base-Base interactions energy: -779.382
where: short stacking energy: -358.286
Base-Backbone interact. energy: -1.035
local terms energy: -409.677955
where:
bonds (distance) C4'-P energy: -82.838
bonds (distance) P-C4' energy: -80.576
flat angles C4'-P-C4' energy: -91.475
flat angles P-C4'-P energy: -59.888
tors. eta vs tors. theta energy: -94.900
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: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1226.649890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.649890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.649890 (E_RNA)
where:
Base-Base interactions energy: -835.954
where: short stacking energy: -359.224
Base-Backbone interact. energy: -0.367
local terms energy: -390.328928
where:
bonds (distance) C4'-P energy: -76.369
bonds (distance) P-C4' energy: -72.132
flat angles C4'-P-C4' energy: -90.928
flat angles P-C4'-P energy: -62.263
tors. eta vs tors. theta energy: -88.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1011.394623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.394623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.394623 (E_RNA)
where:
Base-Base interactions energy: -651.867
where: short stacking energy: -304.344
Base-Backbone interact. energy: 2.489
local terms energy: -362.016725
where:
bonds (distance) C4'-P energy: -83.007
bonds (distance) P-C4' energy: -80.516
flat angles C4'-P-C4' energy: -80.987
flat angles P-C4'-P energy: -56.423
tors. eta vs tors. theta energy: -61.083
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: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -848.937712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.937712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.937712 (E_RNA)
where:
Base-Base interactions energy: -555.937
where: short stacking energy: -256.081
Base-Backbone interact. energy: -2.853
local terms energy: -290.148219
where:
bonds (distance) C4'-P energy: -77.192
bonds (distance) P-C4' energy: -67.741
flat angles C4'-P-C4' energy: -69.393
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: -29.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -944.567125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.567125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.567125 (E_RNA)
where:
Base-Base interactions energy: -627.401
where: short stacking energy: -282.734
Base-Backbone interact. energy: 4.184
local terms energy: -321.349935
where:
bonds (distance) C4'-P energy: -59.494
bonds (distance) P-C4' energy: -84.181
flat angles C4'-P-C4' energy: -73.525
flat angles P-C4'-P energy: -40.488
tors. eta vs tors. theta energy: -63.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -627.785402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.785402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.785402 (E_RNA)
where:
Base-Base interactions energy: -369.909
where: short stacking energy: -163.382
Base-Backbone interact. energy: 0.520
local terms energy: -258.396462
where:
bonds (distance) C4'-P energy: -78.848
bonds (distance) P-C4' energy: -79.899
flat angles C4'-P-C4' energy: -64.085
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1567.074789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.074789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.074789 (E_RNA)
where:
Base-Base interactions energy: -1093.085
where: short stacking energy: -455.081
Base-Backbone interact. energy: -1.430
local terms energy: -472.559149
where:
bonds (distance) C4'-P energy: -93.876
bonds (distance) P-C4' energy: -96.140
flat angles C4'-P-C4' energy: -104.094
flat angles P-C4'-P energy: -54.867
tors. eta vs tors. theta energy: -123.582
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: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1545.281107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.281107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.281107 (E_RNA)
where:
Base-Base interactions energy: -1070.389
where: short stacking energy: -439.035
Base-Backbone interact. energy: -3.548
local terms energy: -471.344438
where:
bonds (distance) C4'-P energy: -89.321
bonds (distance) P-C4' energy: -97.919
flat angles C4'-P-C4' energy: -94.078
flat angles P-C4'-P energy: -65.671
tors. eta vs tors. theta energy: -124.356
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: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1413.767822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.767822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.767822 (E_RNA)
where:
Base-Base interactions energy: -961.171
where: short stacking energy: -420.052
Base-Backbone interact. energy: -1.651
local terms energy: -450.946177
where:
bonds (distance) C4'-P energy: -84.852
bonds (distance) P-C4' energy: -90.470
flat angles C4'-P-C4' energy: -90.325
flat angles P-C4'-P energy: -63.823
tors. eta vs tors. theta energy: -121.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1374.368918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.368918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.368918 (E_RNA)
where:
Base-Base interactions energy: -938.293
where: short stacking energy: -386.736
Base-Backbone interact. energy: -1.731
local terms energy: -434.345009
where:
bonds (distance) C4'-P energy: -85.003
bonds (distance) P-C4' energy: -75.792
flat angles C4'-P-C4' energy: -104.148
flat angles P-C4'-P energy: -61.992
tors. eta vs tors. theta energy: -107.410
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: 326
Temperature: 1.100000
Total energy: -1248.796368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.796368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.796368 (E_RNA)
where:
Base-Base interactions energy: -826.376
where: short stacking energy: -373.383
Base-Backbone interact. energy: 2.477
local terms energy: -424.896821
where:
bonds (distance) C4'-P energy: -92.480
bonds (distance) P-C4' energy: -86.316
flat angles C4'-P-C4' energy: -84.609
flat angles P-C4'-P energy: -65.048
tors. eta vs tors. theta energy: -96.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1144.884990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.884990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.884990 (E_RNA)
where:
Base-Base interactions energy: -788.060
where: short stacking energy: -334.201
Base-Backbone interact. energy: -2.536
local terms energy: -354.289113
where:
bonds (distance) C4'-P energy: -88.612
bonds (distance) P-C4' energy: -71.178
flat angles C4'-P-C4' energy: -64.923
flat angles P-C4'-P energy: -46.373
tors. eta vs tors. theta energy: -83.204
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: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1009.031988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.031988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.031988 (E_RNA)
where:
Base-Base interactions energy: -654.539
where: short stacking energy: -310.636
Base-Backbone interact. energy: -2.399
local terms energy: -352.093730
where:
bonds (distance) C4'-P energy: -72.918
bonds (distance) P-C4' energy: -83.096
flat angles C4'-P-C4' energy: -88.347
flat angles P-C4'-P energy: -44.298
tors. eta vs tors. theta energy: -63.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -877.904292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.904292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.904292 (E_RNA)
where:
Base-Base interactions energy: -552.714
where: short stacking energy: -246.888
Base-Backbone interact. energy: 1.214
local terms energy: -326.404944
where:
bonds (distance) C4'-P energy: -69.634
bonds (distance) P-C4' energy: -76.221
flat angles C4'-P-C4' energy: -97.144
flat angles P-C4'-P energy: -37.946
tors. eta vs tors. theta energy: -45.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -885.001583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.001583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.001583 (E_RNA)
where:
Base-Base interactions energy: -580.187
where: short stacking energy: -239.551
Base-Backbone interact. energy: 2.199
local terms energy: -307.014099
where:
bonds (distance) C4'-P energy: -58.972
bonds (distance) P-C4' energy: -81.255
flat angles C4'-P-C4' energy: -67.202
flat angles P-C4'-P energy: -53.457
tors. eta vs tors. theta energy: -46.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -645.545475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.545475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.545475 (E_RNA)
where:
Base-Base interactions energy: -368.699
where: short stacking energy: -175.908
Base-Backbone interact. energy: 5.290
local terms energy: -282.137113
where:
bonds (distance) C4'-P energy: -68.127
bonds (distance) P-C4' energy: -81.412
flat angles C4'-P-C4' energy: -53.952
flat angles P-C4'-P energy: -51.177
tors. eta vs tors. theta energy: -27.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1555.910289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.910289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.910289 (E_RNA)
where:
Base-Base interactions energy: -1088.412
where: short stacking energy: -448.587
Base-Backbone interact. energy: -0.325
local terms energy: -467.172544
where:
bonds (distance) C4'-P energy: -94.022
bonds (distance) P-C4' energy: -99.191
flat angles C4'-P-C4' energy: -101.759
flat angles P-C4'-P energy: -55.358
tors. eta vs tors. theta energy: -116.843
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: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1553.698706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.698706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.698706 (E_RNA)
where:
Base-Base interactions energy: -1049.336
where: short stacking energy: -423.580
Base-Backbone interact. energy: -3.919
local terms energy: -500.444249
where:
bonds (distance) C4'-P energy: -104.372
bonds (distance) P-C4' energy: -96.998
flat angles C4'-P-C4' energy: -111.666
flat angles P-C4'-P energy: -65.611
tors. eta vs tors. theta energy: -121.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1444.676355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.676355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.676355 (E_RNA)
where:
Base-Base interactions energy: -976.231
where: short stacking energy: -447.380
Base-Backbone interact. energy: -1.223
local terms energy: -467.222522
where:
bonds (distance) C4'-P energy: -79.423
bonds (distance) P-C4' energy: -92.695
flat angles C4'-P-C4' energy: -101.705
flat angles P-C4'-P energy: -70.975
tors. eta vs tors. theta energy: -122.424
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: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1352.469053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.469053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.469053 (E_RNA)
where:
Base-Base interactions energy: -917.959
where: short stacking energy: -418.075
Base-Backbone interact. energy: -1.802
local terms energy: -432.707248
where:
bonds (distance) C4'-P energy: -77.490
bonds (distance) P-C4' energy: -86.193
flat angles C4'-P-C4' energy: -101.124
flat angles P-C4'-P energy: -55.561
tors. eta vs tors. theta energy: -112.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1237.548922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.548922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.548922 (E_RNA)
where:
Base-Base interactions energy: -842.240
where: short stacking energy: -359.417
Base-Backbone interact. energy: -3.111
local terms energy: -392.198421
where:
bonds (distance) C4'-P energy: -82.384
bonds (distance) P-C4' energy: -81.211
flat angles C4'-P-C4' energy: -84.098
flat angles P-C4'-P energy: -61.004
tors. eta vs tors. theta energy: -83.502
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: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1170.565786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.565786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.565786 (E_RNA)
where:
Base-Base interactions energy: -770.364
where: short stacking energy: -356.804
Base-Backbone interact. energy: -0.636
local terms energy: -399.565368
where:
bonds (distance) C4'-P energy: -75.123
bonds (distance) P-C4' energy: -85.828
flat angles C4'-P-C4' energy: -89.556
flat angles P-C4'-P energy: -61.910
tors. eta vs tors. theta energy: -87.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1025.496858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.496858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.496858 (E_RNA)
where:
Base-Base interactions energy: -691.047
where: short stacking energy: -327.735
Base-Backbone interact. energy: -0.561
local terms energy: -333.889608
where:
bonds (distance) C4'-P energy: -68.826
bonds (distance) P-C4' energy: -80.577
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -52.399
tors. eta vs tors. theta energy: -68.639
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: 327
Temperature: 1.250000
Total energy: -974.883134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.883134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.883134 (E_RNA)
where:
Base-Base interactions energy: -642.704
where: short stacking energy: -286.908
Base-Backbone interact. energy: 5.135
local terms energy: -337.313502
where:
bonds (distance) C4'-P energy: -65.230
bonds (distance) P-C4' energy: -71.468
flat angles C4'-P-C4' energy: -83.233
flat angles P-C4'-P energy: -54.845
tors. eta vs tors. theta energy: -62.538
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: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -824.318509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.318509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.318509 (E_RNA)
where:
Base-Base interactions energy: -534.137
where: short stacking energy: -249.750
Base-Backbone interact. energy: -0.802
local terms energy: -289.380264
where:
bonds (distance) C4'-P energy: -70.924
bonds (distance) P-C4' energy: -77.556
flat angles C4'-P-C4' energy: -66.674
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -35.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -626.582698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.582698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.582698 (E_RNA)
where:
Base-Base interactions energy: -343.871
where: short stacking energy: -177.962
Base-Backbone interact. energy: -2.658
local terms energy: -280.054073
where:
bonds (distance) C4'-P energy: -78.071
bonds (distance) P-C4' energy: -90.791
flat angles C4'-P-C4' energy: -65.389
flat angles P-C4'-P energy: -45.105
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1599.274982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.274982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.274982 (E_RNA)
where:
Base-Base interactions energy: -1088.007
where: short stacking energy: -479.236
Base-Backbone interact. energy: -3.822
local terms energy: -507.446435
where:
bonds (distance) C4'-P energy: -96.015
bonds (distance) P-C4' energy: -101.478
flat angles C4'-P-C4' energy: -102.057
flat angles P-C4'-P energy: -72.524
tors. eta vs tors. theta energy: -135.372
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: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1535.425756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.425756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.425756 (E_RNA)
where:
Base-Base interactions energy: -1078.324
where: short stacking energy: -454.662
Base-Backbone interact. energy: -0.759
local terms energy: -456.342191
where:
bonds (distance) C4'-P energy: -95.334
bonds (distance) P-C4' energy: -77.136
flat angles C4'-P-C4' energy: -102.095
flat angles P-C4'-P energy: -56.398
tors. eta vs tors. theta energy: -125.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1462.261276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.261276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.261276 (E_RNA)
where:
Base-Base interactions energy: -999.755
where: short stacking energy: -437.005
Base-Backbone interact. energy: -0.489
local terms energy: -462.017843
where:
bonds (distance) C4'-P energy: -91.342
bonds (distance) P-C4' energy: -79.898
flat angles C4'-P-C4' energy: -98.502
flat angles P-C4'-P energy: -65.063
tors. eta vs tors. theta energy: -127.213
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: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1346.208838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.208838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.208838 (E_RNA)
where:
Base-Base interactions energy: -905.818
where: short stacking energy: -402.329
Base-Backbone interact. energy: 0.518
local terms energy: -440.908191
where:
bonds (distance) C4'-P energy: -79.196
bonds (distance) P-C4' energy: -89.910
flat angles C4'-P-C4' energy: -94.370
flat angles P-C4'-P energy: -71.143
tors. eta vs tors. theta energy: -106.290
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: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1260.955149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.955149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.955149 (E_RNA)
where:
Base-Base interactions energy: -866.937
where: short stacking energy: -385.104
Base-Backbone interact. energy: -2.386
local terms energy: -391.632555
where:
bonds (distance) C4'-P energy: -77.044
bonds (distance) P-C4' energy: -76.054
flat angles C4'-P-C4' energy: -93.309
flat angles P-C4'-P energy: -62.551
tors. eta vs tors. theta energy: -82.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1184.045109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.045109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.045109 (E_RNA)
where:
Base-Base interactions energy: -820.085
where: short stacking energy: -343.890
Base-Backbone interact. energy: -2.052
local terms energy: -361.908174
where:
bonds (distance) C4'-P energy: -76.054
bonds (distance) P-C4' energy: -73.497
flat angles C4'-P-C4' energy: -80.977
flat angles P-C4'-P energy: -49.593
tors. eta vs tors. theta energy: -81.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1067.524076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.524076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.524076 (E_RNA)
where:
Base-Base interactions energy: -679.848
where: short stacking energy: -311.314
Base-Backbone interact. energy: -2.985
local terms energy: -384.691027
where:
bonds (distance) C4'-P energy: -83.083
bonds (distance) P-C4' energy: -81.286
flat angles C4'-P-C4' energy: -89.246
flat angles P-C4'-P energy: -62.830
tors. eta vs tors. theta energy: -68.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -933.943538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.943538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.943538 (E_RNA)
where:
Base-Base interactions energy: -583.616
where: short stacking energy: -280.017
Base-Backbone interact. energy: -1.306
local terms energy: -349.021091
where:
bonds (distance) C4'-P energy: -81.654
bonds (distance) P-C4' energy: -84.246
flat angles C4'-P-C4' energy: -85.714
flat angles P-C4'-P energy: -45.024
tors. eta vs tors. theta energy: -52.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -839.651553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.651553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.651553 (E_RNA)
where:
Base-Base interactions energy: -545.780
where: short stacking energy: -252.759
Base-Backbone interact. energy: -2.333
local terms energy: -291.538552
where:
bonds (distance) C4'-P energy: -74.231
bonds (distance) P-C4' energy: -58.369
flat angles C4'-P-C4' energy: -69.350
flat angles P-C4'-P energy: -36.516
tors. eta vs tors. theta energy: -53.071
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: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -626.670745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.670745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.670745 (E_RNA)
where:
Base-Base interactions energy: -357.411
where: short stacking energy: -181.021
Base-Backbone interact. energy: 0.470
local terms energy: -269.730312
where:
bonds (distance) C4'-P energy: -69.426
bonds (distance) P-C4' energy: -70.994
flat angles C4'-P-C4' energy: -75.052
flat angles P-C4'-P energy: -48.460
tors. eta vs tors. theta energy: -5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1581.390912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.390912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.390912 (E_RNA)
where:
Base-Base interactions energy: -1087.269
where: short stacking energy: -463.118
Base-Backbone interact. energy: -5.230
local terms energy: -488.892744
where:
bonds (distance) C4'-P energy: -81.540
bonds (distance) P-C4' energy: -98.486
flat angles C4'-P-C4' energy: -106.923
flat angles P-C4'-P energy: -69.812
tors. eta vs tors. theta energy: -132.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1523.524045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.524045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.524045 (E_RNA)
where:
Base-Base interactions energy: -1073.901
where: short stacking energy: -451.030
Base-Backbone interact. energy: -1.928
local terms energy: -447.694620
where:
bonds (distance) C4'-P energy: -79.287
bonds (distance) P-C4' energy: -95.150
flat angles C4'-P-C4' energy: -97.213
flat angles P-C4'-P energy: -64.609
tors. eta vs tors. theta energy: -111.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1475.000001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.000001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.000001 (E_RNA)
where:
Base-Base interactions energy: -1010.752
where: short stacking energy: -469.090
Base-Backbone interact. energy: -1.837
local terms energy: -462.410729
where:
bonds (distance) C4'-P energy: -82.267
bonds (distance) P-C4' energy: -78.569
flat angles C4'-P-C4' energy: -102.786
flat angles P-C4'-P energy: -66.789
tors. eta vs tors. theta energy: -132.000
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: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1340.001503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.001503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.001503 (E_RNA)
where:
Base-Base interactions energy: -925.284
where: short stacking energy: -393.873
Base-Backbone interact. energy: -1.006
local terms energy: -413.712010
where:
bonds (distance) C4'-P energy: -76.698
bonds (distance) P-C4' energy: -74.913
flat angles C4'-P-C4' energy: -90.947
flat angles P-C4'-P energy: -70.093
tors. eta vs tors. theta energy: -101.061
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: 329
Temperature: 1.100000
Total energy: -1263.562790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.562790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.562790 (E_RNA)
where:
Base-Base interactions energy: -845.699
where: short stacking energy: -354.904
Base-Backbone interact. energy: -2.033
local terms energy: -415.831628
where:
bonds (distance) C4'-P energy: -77.222
bonds (distance) P-C4' energy: -96.915
flat angles C4'-P-C4' energy: -91.830
flat angles P-C4'-P energy: -68.416
tors. eta vs tors. theta energy: -81.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1153.587026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.587026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.587026 (E_RNA)
where:
Base-Base interactions energy: -780.281
where: short stacking energy: -331.037
Base-Backbone interact. energy: -0.703
local terms energy: -372.603764
where:
bonds (distance) C4'-P energy: -79.709
bonds (distance) P-C4' energy: -83.234
flat angles C4'-P-C4' energy: -84.986
flat angles P-C4'-P energy: -49.432
tors. eta vs tors. theta energy: -75.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1015.332611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.332611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.332611 (E_RNA)
where:
Base-Base interactions energy: -636.440
where: short stacking energy: -294.932
Base-Backbone interact. energy: -2.703
local terms energy: -376.190016
where:
bonds (distance) C4'-P energy: -86.932
bonds (distance) P-C4' energy: -76.085
flat angles C4'-P-C4' energy: -81.171
flat angles P-C4'-P energy: -67.502
tors. eta vs tors. theta energy: -64.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -949.208741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.208741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.208741 (E_RNA)
where:
Base-Base interactions energy: -615.530
where: short stacking energy: -278.863
Base-Backbone interact. energy: -2.066
local terms energy: -331.612675
where:
bonds (distance) C4'-P energy: -66.585
bonds (distance) P-C4' energy: -75.238
flat angles C4'-P-C4' energy: -85.352
flat angles P-C4'-P energy: -58.434
tors. eta vs tors. theta energy: -46.004
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: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -842.714683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.714683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.714683 (E_RNA)
where:
Base-Base interactions energy: -532.698
where: short stacking energy: -232.629
Base-Backbone interact. energy: 0.252
local terms energy: -310.268728
where:
bonds (distance) C4'-P energy: -88.404
bonds (distance) P-C4' energy: -75.959
flat angles C4'-P-C4' energy: -81.309
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -39.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -614.080781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.080781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.080781 (E_RNA)
where:
Base-Base interactions energy: -354.246
where: short stacking energy: -198.044
Base-Backbone interact. energy: 0.108
local terms energy: -259.942762
where:
bonds (distance) C4'-P energy: -84.483
bonds (distance) P-C4' energy: -67.121
flat angles C4'-P-C4' energy: -68.974
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1583.142208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.142208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.142208 (E_RNA)
where:
Base-Base interactions energy: -1103.899
where: short stacking energy: -459.094
Base-Backbone interact. energy: -3.619
local terms energy: -475.623795
where:
bonds (distance) C4'-P energy: -84.279
bonds (distance) P-C4' energy: -96.476
flat angles C4'-P-C4' energy: -103.427
flat angles P-C4'-P energy: -62.825
tors. eta vs tors. theta energy: -128.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1541.737757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.737757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.737757 (E_RNA)
where:
Base-Base interactions energy: -1069.610
where: short stacking energy: -440.277
Base-Backbone interact. energy: -2.879
local terms energy: -469.249506
where:
bonds (distance) C4'-P energy: -94.958
bonds (distance) P-C4' energy: -91.841
flat angles C4'-P-C4' energy: -94.386
flat angles P-C4'-P energy: -71.426
tors. eta vs tors. theta energy: -116.639
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: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1449.267681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.267681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.267681 (E_RNA)
where:
Base-Base interactions energy: -991.738
where: short stacking energy: -429.239
Base-Backbone interact. energy: -0.868
local terms energy: -456.662505
where:
bonds (distance) C4'-P energy: -82.235
bonds (distance) P-C4' energy: -96.297
flat angles C4'-P-C4' energy: -101.438
flat angles P-C4'-P energy: -55.165
tors. eta vs tors. theta energy: -121.528
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: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1334.309860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.309860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.309860 (E_RNA)
where:
Base-Base interactions energy: -889.024
where: short stacking energy: -406.248
Base-Backbone interact. energy: -1.115
local terms energy: -444.171575
where:
bonds (distance) C4'-P energy: -90.137
bonds (distance) P-C4' energy: -88.437
flat angles C4'-P-C4' energy: -88.274
flat angles P-C4'-P energy: -69.081
tors. eta vs tors. theta energy: -108.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1276.934794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.934794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.934794 (E_RNA)
where:
Base-Base interactions energy: -865.567
where: short stacking energy: -384.621
Base-Backbone interact. energy: -2.542
local terms energy: -408.825848
where:
bonds (distance) C4'-P energy: -69.360
bonds (distance) P-C4' energy: -82.080
flat angles C4'-P-C4' energy: -92.849
flat angles P-C4'-P energy: -67.628
tors. eta vs tors. theta energy: -96.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1174.484144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.484144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.484144 (E_RNA)
where:
Base-Base interactions energy: -785.768
where: short stacking energy: -349.732
Base-Backbone interact. energy: -2.169
local terms energy: -386.547293
where:
bonds (distance) C4'-P energy: -92.572
bonds (distance) P-C4' energy: -78.744
flat angles C4'-P-C4' energy: -83.893
flat angles P-C4'-P energy: -49.622
tors. eta vs tors. theta energy: -81.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1024.120153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.120153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.120153 (E_RNA)
where:
Base-Base interactions energy: -671.353
where: short stacking energy: -311.615
Base-Backbone interact. energy: -2.897
local terms energy: -349.869418
where:
bonds (distance) C4'-P energy: -77.570
bonds (distance) P-C4' energy: -71.057
flat angles C4'-P-C4' energy: -94.854
flat angles P-C4'-P energy: -48.263
tors. eta vs tors. theta energy: -58.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -894.894697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.894697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.894697 (E_RNA)
where:
Base-Base interactions energy: -580.260
where: short stacking energy: -267.172
Base-Backbone interact. energy: 4.426
local terms energy: -319.060505
where:
bonds (distance) C4'-P energy: -70.213
bonds (distance) P-C4' energy: -87.535
flat angles C4'-P-C4' energy: -65.111
flat angles P-C4'-P energy: -43.915
tors. eta vs tors. theta energy: -52.286
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: 330
Temperature: 1.300000
Total energy: -862.901720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.901720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.901720 (E_RNA)
where:
Base-Base interactions energy: -533.190
where: short stacking energy: -242.526
Base-Backbone interact. energy: -2.103
local terms energy: -327.608186
where:
bonds (distance) C4'-P energy: -78.000
bonds (distance) P-C4' energy: -80.422
flat angles C4'-P-C4' energy: -87.383
flat angles P-C4'-P energy: -46.070
tors. eta vs tors. theta energy: -35.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -607.225736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.225736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.225736 (E_RNA)
where:
Base-Base interactions energy: -365.413
where: short stacking energy: -184.582
Base-Backbone interact. energy: 13.769
local terms energy: -255.582069
where:
bonds (distance) C4'-P energy: -79.382
bonds (distance) P-C4' energy: -63.817
flat angles C4'-P-C4' energy: -70.112
flat angles P-C4'-P energy: -40.898
tors. eta vs tors. theta energy: -1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1588.927930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.927930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.927930 (E_RNA)
where:
Base-Base interactions energy: -1106.466
where: short stacking energy: -492.202
Base-Backbone interact. energy: 0.424
local terms energy: -482.885535
where:
bonds (distance) C4'-P energy: -86.722
bonds (distance) P-C4' energy: -92.078
flat angles C4'-P-C4' energy: -108.071
flat angles P-C4'-P energy: -69.368
tors. eta vs tors. theta energy: -126.647
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: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1536.686898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.686898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.686898 (E_RNA)
where:
Base-Base interactions energy: -1081.483
where: short stacking energy: -434.254
Base-Backbone interact. energy: -2.720
local terms energy: -452.483997
where:
bonds (distance) C4'-P energy: -91.827
bonds (distance) P-C4' energy: -85.000
flat angles C4'-P-C4' energy: -95.000
flat angles P-C4'-P energy: -61.064
tors. eta vs tors. theta energy: -119.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1454.534266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.534266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.534266 (E_RNA)
where:
Base-Base interactions energy: -986.979
where: short stacking energy: -449.087
Base-Backbone interact. energy: -2.033
local terms energy: -465.522509
where:
bonds (distance) C4'-P energy: -72.249
bonds (distance) P-C4' energy: -98.180
flat angles C4'-P-C4' energy: -103.882
flat angles P-C4'-P energy: -63.292
tors. eta vs tors. theta energy: -127.919
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: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1379.174895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.174895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.174895 (E_RNA)
where:
Base-Base interactions energy: -930.730
where: short stacking energy: -413.683
Base-Backbone interact. energy: -0.336
local terms energy: -448.109499
where:
bonds (distance) C4'-P energy: -84.632
bonds (distance) P-C4' energy: -77.232
flat angles C4'-P-C4' energy: -102.817
flat angles P-C4'-P energy: -66.512
tors. eta vs tors. theta energy: -116.916
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: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1271.381634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.381634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.381634 (E_RNA)
where:
Base-Base interactions energy: -858.838
where: short stacking energy: -377.701
Base-Backbone interact. energy: -0.172
local terms energy: -412.371646
where:
bonds (distance) C4'-P energy: -67.323
bonds (distance) P-C4' energy: -82.321
flat angles C4'-P-C4' energy: -105.453
flat angles P-C4'-P energy: -66.170
tors. eta vs tors. theta energy: -91.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1195.650979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.650979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.650979 (E_RNA)
where:
Base-Base interactions energy: -801.789
where: short stacking energy: -345.225
Base-Backbone interact. energy: 3.067
local terms energy: -396.929537
where:
bonds (distance) C4'-P energy: -78.718
bonds (distance) P-C4' energy: -81.330
flat angles C4'-P-C4' energy: -88.206
flat angles P-C4'-P energy: -59.102
tors. eta vs tors. theta energy: -89.573
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: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -973.716154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.716154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.716154 (E_RNA)
where:
Base-Base interactions energy: -609.872
where: short stacking energy: -280.155
Base-Backbone interact. energy: -2.575
local terms energy: -361.269726
where:
bonds (distance) C4'-P energy: -83.133
bonds (distance) P-C4' energy: -76.913
flat angles C4'-P-C4' energy: -86.923
flat angles P-C4'-P energy: -55.087
tors. eta vs tors. theta energy: -59.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -919.093447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.093447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.093447 (E_RNA)
where:
Base-Base interactions energy: -589.782
where: short stacking energy: -280.953
Base-Backbone interact. energy: -1.739
local terms energy: -327.572639
where:
bonds (distance) C4'-P energy: -85.567
bonds (distance) P-C4' energy: -70.349
flat angles C4'-P-C4' energy: -77.462
flat angles P-C4'-P energy: -39.166
tors. eta vs tors. theta energy: -55.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -852.783401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.783401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.783401 (E_RNA)
where:
Base-Base interactions energy: -543.610
where: short stacking energy: -255.400
Base-Backbone interact. energy: 5.137
local terms energy: -314.310475
where:
bonds (distance) C4'-P energy: -68.087
bonds (distance) P-C4' energy: -73.644
flat angles C4'-P-C4' energy: -78.813
flat angles P-C4'-P energy: -49.713
tors. eta vs tors. theta energy: -44.054
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: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -652.541633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.541633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.541633 (E_RNA)
where:
Base-Base interactions energy: -392.055
where: short stacking energy: -196.631
Base-Backbone interact. energy: -3.094
local terms energy: -257.393460
where:
bonds (distance) C4'-P energy: -75.066
bonds (distance) P-C4' energy: -69.430
flat angles C4'-P-C4' energy: -70.093
flat angles P-C4'-P energy: -37.251
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1589.696876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.696876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.696876 (E_RNA)
where:
Base-Base interactions energy: -1106.594
where: short stacking energy: -461.519
Base-Backbone interact. energy: -1.236
local terms energy: -481.866924
where:
bonds (distance) C4'-P energy: -85.558
bonds (distance) P-C4' energy: -94.137
flat angles C4'-P-C4' energy: -107.289
flat angles P-C4'-P energy: -65.503
tors. eta vs tors. theta energy: -129.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1564.950992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.950992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.950992 (E_RNA)
where:
Base-Base interactions energy: -1103.026
where: short stacking energy: -473.537
Base-Backbone interact. energy: -2.325
local terms energy: -459.600434
where:
bonds (distance) C4'-P energy: -86.139
bonds (distance) P-C4' energy: -85.967
flat angles C4'-P-C4' energy: -104.833
flat angles P-C4'-P energy: -68.654
tors. eta vs tors. theta energy: -114.008
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: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1452.326204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.326204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.326204 (E_RNA)
where:
Base-Base interactions energy: -974.773
where: short stacking energy: -439.882
Base-Backbone interact. energy: -1.070
local terms energy: -476.482806
where:
bonds (distance) C4'-P energy: -92.212
bonds (distance) P-C4' energy: -86.431
flat angles C4'-P-C4' energy: -105.619
flat angles P-C4'-P energy: -63.553
tors. eta vs tors. theta energy: -128.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1386.999292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.999292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.999292 (E_RNA)
where:
Base-Base interactions energy: -942.426
where: short stacking energy: -416.949
Base-Backbone interact. energy: -1.106
local terms energy: -443.467136
where:
bonds (distance) C4'-P energy: -84.629
bonds (distance) P-C4' energy: -90.431
flat angles C4'-P-C4' energy: -86.567
flat angles P-C4'-P energy: -65.135
tors. eta vs tors. theta energy: -116.705
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: 332
Temperature: 1.100000
Total energy: -1236.633201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.633201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.633201 (E_RNA)
where:
Base-Base interactions energy: -841.556
where: short stacking energy: -352.634
Base-Backbone interact. energy: -1.791
local terms energy: -393.286083
where:
bonds (distance) C4'-P energy: -81.147
bonds (distance) P-C4' energy: -86.852
flat angles C4'-P-C4' energy: -94.733
flat angles P-C4'-P energy: -42.901
tors. eta vs tors. theta energy: -87.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1210.814892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.814892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.814892 (E_RNA)
where:
Base-Base interactions energy: -832.976
where: short stacking energy: -349.600
Base-Backbone interact. energy: -2.319
local terms energy: -375.520401
where:
bonds (distance) C4'-P energy: -75.144
bonds (distance) P-C4' energy: -74.778
flat angles C4'-P-C4' energy: -90.525
flat angles P-C4'-P energy: -45.664
tors. eta vs tors. theta energy: -89.409
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: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1051.235073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.235073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.235073 (E_RNA)
where:
Base-Base interactions energy: -693.251
where: short stacking energy: -320.854
Base-Backbone interact. energy: -3.733
local terms energy: -354.250953
where:
bonds (distance) C4'-P energy: -71.312
bonds (distance) P-C4' energy: -80.792
flat angles C4'-P-C4' energy: -95.488
flat angles P-C4'-P energy: -47.819
tors. eta vs tors. theta energy: -58.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -891.703335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.703335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.703335 (E_RNA)
where:
Base-Base interactions energy: -559.442
where: short stacking energy: -250.726
Base-Backbone interact. energy: -1.506
local terms energy: -330.755302
where:
bonds (distance) C4'-P energy: -72.785
bonds (distance) P-C4' energy: -85.756
flat angles C4'-P-C4' energy: -74.906
flat angles P-C4'-P energy: -45.421
tors. eta vs tors. theta energy: -51.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -815.318795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.318795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.318795 (E_RNA)
where:
Base-Base interactions energy: -534.449
where: short stacking energy: -221.572
Base-Backbone interact. energy: -0.768
local terms energy: -280.101864
where:
bonds (distance) C4'-P energy: -75.340
bonds (distance) P-C4' energy: -77.795
flat angles C4'-P-C4' energy: -61.748
flat angles P-C4'-P energy: -45.753
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: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -619.602627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.602627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.602627 (E_RNA)
where:
Base-Base interactions energy: -371.885
where: short stacking energy: -193.603
Base-Backbone interact. energy: 1.497
local terms energy: -249.214436
where:
bonds (distance) C4'-P energy: -75.174
bonds (distance) P-C4' energy: -74.029
flat angles C4'-P-C4' energy: -64.993
flat angles P-C4'-P energy: -29.497
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: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1570.285597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.285597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.285597 (E_RNA)
where:
Base-Base interactions energy: -1084.386
where: short stacking energy: -459.119
Base-Backbone interact. energy: -3.272
local terms energy: -482.627748
where:
bonds (distance) C4'-P energy: -88.183
bonds (distance) P-C4' energy: -93.774
flat angles C4'-P-C4' energy: -102.867
flat angles P-C4'-P energy: -69.250
tors. eta vs tors. theta energy: -128.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1535.191782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.191782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.191782 (E_RNA)
where:
Base-Base interactions energy: -1089.644
where: short stacking energy: -451.797
Base-Backbone interact. energy: 2.256
local terms energy: -447.803594
where:
bonds (distance) C4'-P energy: -87.455
bonds (distance) P-C4' energy: -70.798
flat angles C4'-P-C4' energy: -100.601
flat angles P-C4'-P energy: -68.376
tors. eta vs tors. theta energy: -120.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1440.917557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.917557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.917557 (E_RNA)
where:
Base-Base interactions energy: -993.016
where: short stacking energy: -457.822
Base-Backbone interact. energy: 3.781
local terms energy: -451.683331
where:
bonds (distance) C4'-P energy: -87.738
bonds (distance) P-C4' energy: -73.063
flat angles C4'-P-C4' energy: -90.858
flat angles P-C4'-P energy: -63.555
tors. eta vs tors. theta energy: -136.470
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: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1339.866673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.866673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.866673 (E_RNA)
where:
Base-Base interactions energy: -921.846
where: short stacking energy: -402.603
Base-Backbone interact. energy: 0.131
local terms energy: -418.151205
where:
bonds (distance) C4'-P energy: -73.254
bonds (distance) P-C4' energy: -90.452
flat angles C4'-P-C4' energy: -92.901
flat angles P-C4'-P energy: -57.821
tors. eta vs tors. theta energy: -103.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1224.761943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.761943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.761943 (E_RNA)
where:
Base-Base interactions energy: -813.586
where: short stacking energy: -331.860
Base-Backbone interact. energy: -3.092
local terms energy: -408.084012
where:
bonds (distance) C4'-P energy: -87.595
bonds (distance) P-C4' energy: -85.183
flat angles C4'-P-C4' energy: -93.672
flat angles P-C4'-P energy: -64.803
tors. eta vs tors. theta energy: -76.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1244.625953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.625953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.625953 (E_RNA)
where:
Base-Base interactions energy: -853.441
where: short stacking energy: -351.544
Base-Backbone interact. energy: -1.571
local terms energy: -389.613725
where:
bonds (distance) C4'-P energy: -84.386
bonds (distance) P-C4' energy: -91.636
flat angles C4'-P-C4' energy: -81.560
flat angles P-C4'-P energy: -44.695
tors. eta vs tors. theta energy: -87.337
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: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -964.071377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.071377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.071377 (E_RNA)
where:
Base-Base interactions energy: -629.811
where: short stacking energy: -262.072
Base-Backbone interact. energy: -2.075
local terms energy: -332.185177
where:
bonds (distance) C4'-P energy: -75.850
bonds (distance) P-C4' energy: -79.304
flat angles C4'-P-C4' energy: -86.610
flat angles P-C4'-P energy: -49.202
tors. eta vs tors. theta energy: -41.218
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: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -873.845944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.845944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.845944 (E_RNA)
where:
Base-Base interactions energy: -563.143
where: short stacking energy: -252.859
Base-Backbone interact. energy: 2.161
local terms energy: -312.864546
where:
bonds (distance) C4'-P energy: -72.351
bonds (distance) P-C4' energy: -73.561
flat angles C4'-P-C4' energy: -72.588
flat angles P-C4'-P energy: -50.898
tors. eta vs tors. theta energy: -43.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -870.393210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.393210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.393210 (E_RNA)
where:
Base-Base interactions energy: -550.007
where: short stacking energy: -233.129
Base-Backbone interact. energy: -1.766
local terms energy: -318.620687
where:
bonds (distance) C4'-P energy: -77.292
bonds (distance) P-C4' energy: -86.092
flat angles C4'-P-C4' energy: -78.856
flat angles P-C4'-P energy: -41.824
tors. eta vs tors. theta energy: -34.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -674.571637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.571637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.571637 (E_RNA)
where:
Base-Base interactions energy: -363.176
where: short stacking energy: -173.063
Base-Backbone interact. energy: -0.459
local terms energy: -310.937066
where:
bonds (distance) C4'-P energy: -80.147
bonds (distance) P-C4' energy: -89.313
flat angles C4'-P-C4' energy: -68.427
flat angles P-C4'-P energy: -48.416
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1557.294086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.294086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.294086 (E_RNA)
where:
Base-Base interactions energy: -1075.205
where: short stacking energy: -461.540
Base-Backbone interact. energy: -2.776
local terms energy: -479.313171
where:
bonds (distance) C4'-P energy: -94.567
bonds (distance) P-C4' energy: -91.684
flat angles C4'-P-C4' energy: -95.330
flat angles P-C4'-P energy: -79.718
tors. eta vs tors. theta energy: -118.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1559.973248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.973248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.973248 (E_RNA)
where:
Base-Base interactions energy: -1104.301
where: short stacking energy: -483.547
Base-Backbone interact. energy: -1.482
local terms energy: -454.190008
where:
bonds (distance) C4'-P energy: -71.957
bonds (distance) P-C4' energy: -97.290
flat angles C4'-P-C4' energy: -105.274
flat angles P-C4'-P energy: -52.205
tors. eta vs tors. theta energy: -127.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1454.560810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.560810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.560810 (E_RNA)
where:
Base-Base interactions energy: -984.007
where: short stacking energy: -442.329
Base-Backbone interact. energy: -1.322
local terms energy: -469.231902
where:
bonds (distance) C4'-P energy: -94.694
bonds (distance) P-C4' energy: -83.819
flat angles C4'-P-C4' energy: -95.758
flat angles P-C4'-P energy: -70.902
tors. eta vs tors. theta energy: -124.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1328.942898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.942898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.942898 (E_RNA)
where:
Base-Base interactions energy: -905.050
where: short stacking energy: -410.285
Base-Backbone interact. energy: -0.702
local terms energy: -423.191365
where:
bonds (distance) C4'-P energy: -85.692
bonds (distance) P-C4' energy: -89.006
flat angles C4'-P-C4' energy: -94.802
flat angles P-C4'-P energy: -53.898
tors. eta vs tors. theta energy: -99.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1229.959158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.959158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.959158 (E_RNA)
where:
Base-Base interactions energy: -816.681
where: short stacking energy: -361.489
Base-Backbone interact. energy: -1.925
local terms energy: -411.352490
where:
bonds (distance) C4'-P energy: -87.552
bonds (distance) P-C4' energy: -73.329
flat angles C4'-P-C4' energy: -90.512
flat angles P-C4'-P energy: -56.640
tors. eta vs tors. theta energy: -103.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1152.849076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.849076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.849076 (E_RNA)
where:
Base-Base interactions energy: -773.209
where: short stacking energy: -343.410
Base-Backbone interact. energy: -2.013
local terms energy: -377.626622
where:
bonds (distance) C4'-P energy: -72.575
bonds (distance) P-C4' energy: -86.750
flat angles C4'-P-C4' energy: -77.416
flat angles P-C4'-P energy: -53.387
tors. eta vs tors. theta energy: -87.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -949.122490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.122490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.122490 (E_RNA)
where:
Base-Base interactions energy: -601.066
where: short stacking energy: -291.918
Base-Backbone interact. energy: -0.699
local terms energy: -347.357003
where:
bonds (distance) C4'-P energy: -91.128
bonds (distance) P-C4' energy: -65.668
flat angles C4'-P-C4' energy: -87.744
flat angles P-C4'-P energy: -37.219
tors. eta vs tors. theta energy: -65.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -884.113150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.113150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.113150 (E_RNA)
where:
Base-Base interactions energy: -572.287
where: short stacking energy: -276.163
Base-Backbone interact. energy: -1.349
local terms energy: -310.477284
where:
bonds (distance) C4'-P energy: -64.921
bonds (distance) P-C4' energy: -76.314
flat angles C4'-P-C4' energy: -77.915
flat angles P-C4'-P energy: -48.489
tors. eta vs tors. theta energy: -42.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -856.986211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.986211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.986211 (E_RNA)
where:
Base-Base interactions energy: -550.502
where: short stacking energy: -249.363
Base-Backbone interact. energy: -1.738
local terms energy: -304.745610
where:
bonds (distance) C4'-P energy: -76.689
bonds (distance) P-C4' energy: -71.403
flat angles C4'-P-C4' energy: -80.230
flat angles P-C4'-P energy: -38.165
tors. eta vs tors. theta energy: -38.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -681.237654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.237654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.237654 (E_RNA)
where:
Base-Base interactions energy: -383.280
where: short stacking energy: -197.895
Base-Backbone interact. energy: -1.410
local terms energy: -296.547523
where:
bonds (distance) C4'-P energy: -65.605
bonds (distance) P-C4' energy: -78.811
flat angles C4'-P-C4' energy: -73.852
flat angles P-C4'-P energy: -43.946
tors. eta vs tors. theta energy: -34.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1560.162627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.162627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.162627 (E_RNA)
where:
Base-Base interactions energy: -1106.234
where: short stacking energy: -467.256
Base-Backbone interact. energy: -2.204
local terms energy: -451.724371
where:
bonds (distance) C4'-P energy: -88.200
bonds (distance) P-C4' energy: -99.099
flat angles C4'-P-C4' energy: -86.109
flat angles P-C4'-P energy: -65.472
tors. eta vs tors. theta energy: -112.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1529.037787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.037787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.037787 (E_RNA)
where:
Base-Base interactions energy: -1067.501
where: short stacking energy: -446.234
Base-Backbone interact. energy: -2.915
local terms energy: -458.622610
where:
bonds (distance) C4'-P energy: -86.714
bonds (distance) P-C4' energy: -93.389
flat angles C4'-P-C4' energy: -90.348
flat angles P-C4'-P energy: -67.011
tors. eta vs tors. theta energy: -121.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1457.596045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.596045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.596045 (E_RNA)
where:
Base-Base interactions energy: -991.885
where: short stacking energy: -433.538
Base-Backbone interact. energy: -1.501
local terms energy: -464.210417
where:
bonds (distance) C4'-P energy: -91.659
bonds (distance) P-C4' energy: -98.384
flat angles C4'-P-C4' energy: -98.389
flat angles P-C4'-P energy: -61.334
tors. eta vs tors. theta energy: -114.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1356.267441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.267441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.267441 (E_RNA)
where:
Base-Base interactions energy: -938.859
where: short stacking energy: -385.942
Base-Backbone interact. energy: -0.758
local terms energy: -416.650120
where:
bonds (distance) C4'-P energy: -83.694
bonds (distance) P-C4' energy: -82.684
flat angles C4'-P-C4' energy: -97.658
flat angles P-C4'-P energy: -53.555
tors. eta vs tors. theta energy: -99.059
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: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1269.623979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.623979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.623979 (E_RNA)
where:
Base-Base interactions energy: -877.576
where: short stacking energy: -373.056
Base-Backbone interact. energy: -2.529
local terms energy: -389.518317
where:
bonds (distance) C4'-P energy: -67.509
bonds (distance) P-C4' energy: -74.399
flat angles C4'-P-C4' energy: -93.846
flat angles P-C4'-P energy: -64.802
tors. eta vs tors. theta energy: -88.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1179.817209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.817209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.817209 (E_RNA)
where:
Base-Base interactions energy: -789.459
where: short stacking energy: -356.937
Base-Backbone interact. energy: -1.338
local terms energy: -389.020762
where:
bonds (distance) C4'-P energy: -75.023
bonds (distance) P-C4' energy: -85.828
flat angles C4'-P-C4' energy: -89.012
flat angles P-C4'-P energy: -53.498
tors. eta vs tors. theta energy: -85.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -968.992748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.992748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.992748 (E_RNA)
where:
Base-Base interactions energy: -600.275
where: short stacking energy: -272.267
Base-Backbone interact. energy: -2.462
local terms energy: -366.256263
where:
bonds (distance) C4'-P energy: -78.523
bonds (distance) P-C4' energy: -91.501
flat angles C4'-P-C4' energy: -89.468
flat angles P-C4'-P energy: -52.382
tors. eta vs tors. theta energy: -54.383
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: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -872.157686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.157686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.157686 (E_RNA)
where:
Base-Base interactions energy: -564.531
where: short stacking energy: -257.673
Base-Backbone interact. energy: -3.459
local terms energy: -304.167693
where:
bonds (distance) C4'-P energy: -67.612
bonds (distance) P-C4' energy: -75.771
flat angles C4'-P-C4' energy: -68.906
flat angles P-C4'-P energy: -38.493
tors. eta vs tors. theta energy: -53.386
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: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -851.697251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.697251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.697251 (E_RNA)
where:
Base-Base interactions energy: -511.280
where: short stacking energy: -237.295
Base-Backbone interact. energy: -0.780
local terms energy: -339.636770
where:
bonds (distance) C4'-P energy: -79.402
bonds (distance) P-C4' energy: -80.443
flat angles C4'-P-C4' energy: -84.483
flat angles P-C4'-P energy: -41.726
tors. eta vs tors. theta energy: -53.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -701.608937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.608937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.608937 (E_RNA)
where:
Base-Base interactions energy: -415.649
where: short stacking energy: -205.724
Base-Backbone interact. energy: 1.760
local terms energy: -287.720264
where:
bonds (distance) C4'-P energy: -76.158
bonds (distance) P-C4' energy: -68.417
flat angles C4'-P-C4' energy: -75.685
flat angles P-C4'-P energy: -45.408
tors. eta vs tors. theta energy: -22.052
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: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1573.231883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.231883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.231883 (E_RNA)
where:
Base-Base interactions energy: -1097.110
where: short stacking energy: -460.690
Base-Backbone interact. energy: -3.993
local terms energy: -472.129023
where:
bonds (distance) C4'-P energy: -89.008
bonds (distance) P-C4' energy: -82.962
flat angles C4'-P-C4' energy: -103.018
flat angles P-C4'-P energy: -64.146
tors. eta vs tors. theta energy: -132.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1507.675810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.675810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.675810 (E_RNA)
where:
Base-Base interactions energy: -1055.383
where: short stacking energy: -452.002
Base-Backbone interact. energy: -2.364
local terms energy: -449.927905
where:
bonds (distance) C4'-P energy: -92.542
bonds (distance) P-C4' energy: -92.923
flat angles C4'-P-C4' energy: -94.910
flat angles P-C4'-P energy: -51.999
tors. eta vs tors. theta energy: -117.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1444.275923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.275923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.275923 (E_RNA)
where:
Base-Base interactions energy: -989.194
where: short stacking energy: -425.069
Base-Backbone interact. energy: -1.809
local terms energy: -453.273014
where:
bonds (distance) C4'-P energy: -90.201
bonds (distance) P-C4' energy: -88.642
flat angles C4'-P-C4' energy: -96.017
flat angles P-C4'-P energy: -56.919
tors. eta vs tors. theta energy: -121.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1383.487643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.487643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.487643 (E_RNA)
where:
Base-Base interactions energy: -930.796
where: short stacking energy: -402.341
Base-Backbone interact. energy: -1.674
local terms energy: -451.018328
where:
bonds (distance) C4'-P energy: -83.649
bonds (distance) P-C4' energy: -83.292
flat angles C4'-P-C4' energy: -94.381
flat angles P-C4'-P energy: -73.734
tors. eta vs tors. theta energy: -115.963
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: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1279.857749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.857749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.857749 (E_RNA)
where:
Base-Base interactions energy: -853.887
where: short stacking energy: -351.138
Base-Backbone interact. energy: -2.755
local terms energy: -423.216393
where:
bonds (distance) C4'-P energy: -75.777
bonds (distance) P-C4' energy: -88.416
flat angles C4'-P-C4' energy: -97.567
flat angles P-C4'-P energy: -68.238
tors. eta vs tors. theta energy: -93.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1173.458043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.458043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.458043 (E_RNA)
where:
Base-Base interactions energy: -773.065
where: short stacking energy: -348.471
Base-Backbone interact. energy: 0.709
local terms energy: -401.101650
where:
bonds (distance) C4'-P energy: -71.540
bonds (distance) P-C4' energy: -87.148
flat angles C4'-P-C4' energy: -91.685
flat angles P-C4'-P energy: -63.201
tors. eta vs tors. theta energy: -87.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1003.415112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.415112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.415112 (E_RNA)
where:
Base-Base interactions energy: -643.849
where: short stacking energy: -292.146
Base-Backbone interact. energy: -3.408
local terms energy: -356.157648
where:
bonds (distance) C4'-P energy: -76.174
bonds (distance) P-C4' energy: -79.514
flat angles C4'-P-C4' energy: -81.761
flat angles P-C4'-P energy: -59.498
tors. eta vs tors. theta energy: -59.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -910.951454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.951454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.951454 (E_RNA)
where:
Base-Base interactions energy: -576.405
where: short stacking energy: -277.694
Base-Backbone interact. energy: -0.494
local terms energy: -334.052634
where:
bonds (distance) C4'-P energy: -83.865
bonds (distance) P-C4' energy: -81.196
flat angles C4'-P-C4' energy: -70.732
flat angles P-C4'-P energy: -43.617
tors. eta vs tors. theta energy: -54.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -834.425411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.425411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.425411 (E_RNA)
where:
Base-Base interactions energy: -545.189
where: short stacking energy: -240.575
Base-Backbone interact. energy: 7.286
local terms energy: -296.522306
where:
bonds (distance) C4'-P energy: -77.508
bonds (distance) P-C4' energy: -84.219
flat angles C4'-P-C4' energy: -65.952
flat angles P-C4'-P energy: -44.632
tors. eta vs tors. theta energy: -24.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -649.101653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.101653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.101653 (E_RNA)
where:
Base-Base interactions energy: -383.186
where: short stacking energy: -177.068
Base-Backbone interact. energy: 2.074
local terms energy: -267.990212
where:
bonds (distance) C4'-P energy: -66.309
bonds (distance) P-C4' energy: -87.115
flat angles C4'-P-C4' energy: -55.942
flat angles P-C4'-P energy: -46.010
tors. eta vs tors. theta energy: -12.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1587.376226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.376226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.376226 (E_RNA)
where:
Base-Base interactions energy: -1098.595
where: short stacking energy: -461.581
Base-Backbone interact. energy: -2.157
local terms energy: -486.624213
where:
bonds (distance) C4'-P energy: -93.035
bonds (distance) P-C4' energy: -97.898
flat angles C4'-P-C4' energy: -103.596
flat angles P-C4'-P energy: -64.795
tors. eta vs tors. theta energy: -127.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1537.467019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.467019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.467019 (E_RNA)
where:
Base-Base interactions energy: -1076.163
where: short stacking energy: -457.656
Base-Backbone interact. energy: -1.623
local terms energy: -459.681666
where:
bonds (distance) C4'-P energy: -88.787
bonds (distance) P-C4' energy: -88.236
flat angles C4'-P-C4' energy: -88.997
flat angles P-C4'-P energy: -68.909
tors. eta vs tors. theta energy: -124.753
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: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1437.869247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.869247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.869247 (E_RNA)
where:
Base-Base interactions energy: -976.742
where: short stacking energy: -449.108
Base-Backbone interact. energy: -0.585
local terms energy: -460.542693
where:
bonds (distance) C4'-P energy: -73.308
bonds (distance) P-C4' energy: -96.023
flat angles C4'-P-C4' energy: -96.724
flat angles P-C4'-P energy: -63.341
tors. eta vs tors. theta energy: -131.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1351.850306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.850306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.850306 (E_RNA)
where:
Base-Base interactions energy: -917.456
where: short stacking energy: -412.834
Base-Backbone interact. energy: -3.351
local terms energy: -431.043734
where:
bonds (distance) C4'-P energy: -82.757
bonds (distance) P-C4' energy: -84.748
flat angles C4'-P-C4' energy: -94.947
flat angles P-C4'-P energy: -65.318
tors. eta vs tors. theta energy: -103.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1322.990972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.990972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.990972 (E_RNA)
where:
Base-Base interactions energy: -894.881
where: short stacking energy: -400.284
Base-Backbone interact. energy: 0.723
local terms energy: -428.832939
where:
bonds (distance) C4'-P energy: -84.731
bonds (distance) P-C4' energy: -89.383
flat angles C4'-P-C4' energy: -95.127
flat angles P-C4'-P energy: -53.554
tors. eta vs tors. theta energy: -106.039
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: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1167.405373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.405373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.405373 (E_RNA)
where:
Base-Base interactions energy: -773.468
where: short stacking energy: -342.230
Base-Backbone interact. energy: 0.621
local terms energy: -394.558025
where:
bonds (distance) C4'-P energy: -76.811
bonds (distance) P-C4' energy: -85.519
flat angles C4'-P-C4' energy: -88.394
flat angles P-C4'-P energy: -56.836
tors. eta vs tors. theta energy: -86.997
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: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1015.361822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.361822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.361822 (E_RNA)
where:
Base-Base interactions energy: -667.483
where: short stacking energy: -287.151
Base-Backbone interact. energy: -1.686
local terms energy: -346.193152
where:
bonds (distance) C4'-P energy: -83.393
bonds (distance) P-C4' energy: -79.657
flat angles C4'-P-C4' energy: -83.612
flat angles P-C4'-P energy: -47.990
tors. eta vs tors. theta energy: -51.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -859.536755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.536755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.536755 (E_RNA)
where:
Base-Base interactions energy: -530.578
where: short stacking energy: -246.007
Base-Backbone interact. energy: -2.660
local terms energy: -326.299210
where:
bonds (distance) C4'-P energy: -83.130
bonds (distance) P-C4' energy: -70.281
flat angles C4'-P-C4' energy: -70.162
flat angles P-C4'-P energy: -56.019
tors. eta vs tors. theta energy: -46.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -845.918919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.918919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.918919 (E_RNA)
where:
Base-Base interactions energy: -518.448
where: short stacking energy: -227.289
Base-Backbone interact. energy: 6.656
local terms energy: -334.127024
where:
bonds (distance) C4'-P energy: -66.283
bonds (distance) P-C4' energy: -84.577
flat angles C4'-P-C4' energy: -91.595
flat angles P-C4'-P energy: -41.528
tors. eta vs tors. theta energy: -50.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -693.684061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.684061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.684061 (E_RNA)
where:
Base-Base interactions energy: -433.961
where: short stacking energy: -196.535
Base-Backbone interact. energy: 2.031
local terms energy: -261.754594
where:
bonds (distance) C4'-P energy: -53.409
bonds (distance) P-C4' energy: -84.136
flat angles C4'-P-C4' energy: -58.671
flat angles P-C4'-P energy: -45.946
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: 1, replica: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1576.586644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.586644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.586644 (E_RNA)
where:
Base-Base interactions energy: -1090.192
where: short stacking energy: -460.349
Base-Backbone interact. energy: 1.875
local terms energy: -488.269088
where:
bonds (distance) C4'-P energy: -89.243
bonds (distance) P-C4' energy: -99.721
flat angles C4'-P-C4' energy: -104.273
flat angles P-C4'-P energy: -69.891
tors. eta vs tors. theta energy: -125.141
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: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1559.573098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.573098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.573098 (E_RNA)
where:
Base-Base interactions energy: -1094.501
where: short stacking energy: -450.911
Base-Backbone interact. energy: -0.959
local terms energy: -464.113472
where:
bonds (distance) C4'-P energy: -88.704
bonds (distance) P-C4' energy: -87.709
flat angles C4'-P-C4' energy: -96.801
flat angles P-C4'-P energy: -64.464
tors. eta vs tors. theta energy: -126.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1466.387566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.387566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.387566 (E_RNA)
where:
Base-Base interactions energy: -976.028
where: short stacking energy: -446.962
Base-Backbone interact. energy: -1.031
local terms energy: -489.327893
where:
bonds (distance) C4'-P energy: -97.009
bonds (distance) P-C4' energy: -92.741
flat angles C4'-P-C4' energy: -102.977
flat angles P-C4'-P energy: -68.117
tors. eta vs tors. theta energy: -128.484
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: 338
Temperature: 1.050000
Total energy: -1338.217218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.217218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.217218 (E_RNA)
where:
Base-Base interactions energy: -901.263
where: short stacking energy: -403.408
Base-Backbone interact. energy: -3.684
local terms energy: -433.270799
where:
bonds (distance) C4'-P energy: -84.851
bonds (distance) P-C4' energy: -87.892
flat angles C4'-P-C4' energy: -93.278
flat angles P-C4'-P energy: -54.661
tors. eta vs tors. theta energy: -112.589
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: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1325.260495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.260495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.260495 (E_RNA)
where:
Base-Base interactions energy: -875.711
where: short stacking energy: -392.052
Base-Backbone interact. energy: -0.892
local terms energy: -448.657632
where:
bonds (distance) C4'-P energy: -81.469
bonds (distance) P-C4' energy: -96.418
flat angles C4'-P-C4' energy: -99.059
flat angles P-C4'-P energy: -60.577
tors. eta vs tors. theta energy: -111.136
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: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1140.445489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.445489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.445489 (E_RNA)
where:
Base-Base interactions energy: -764.954
where: short stacking energy: -328.969
Base-Backbone interact. energy: -1.939
local terms energy: -373.551717
where:
bonds (distance) C4'-P energy: -76.714
bonds (distance) P-C4' energy: -80.336
flat angles C4'-P-C4' energy: -88.842
flat angles P-C4'-P energy: -53.770
tors. eta vs tors. theta energy: -73.889
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: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -985.957877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.957877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.957877 (E_RNA)
where:
Base-Base interactions energy: -622.112
where: short stacking energy: -285.744
Base-Backbone interact. energy: -1.512
local terms energy: -362.334615
where:
bonds (distance) C4'-P energy: -69.627
bonds (distance) P-C4' energy: -97.468
flat angles C4'-P-C4' energy: -92.010
flat angles P-C4'-P energy: -45.185
tors. eta vs tors. theta energy: -58.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -828.988596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.988596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.988596 (E_RNA)
where:
Base-Base interactions energy: -514.487
where: short stacking energy: -235.132
Base-Backbone interact. energy: 0.827
local terms energy: -315.328593
where:
bonds (distance) C4'-P energy: -72.401
bonds (distance) P-C4' energy: -88.073
flat angles C4'-P-C4' energy: -65.074
flat angles P-C4'-P energy: -50.959
tors. eta vs tors. theta energy: -38.823
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: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -804.122848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.122848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.122848 (E_RNA)
where:
Base-Base interactions energy: -489.618
where: short stacking energy: -225.319
Base-Backbone interact. energy: -0.891
local terms energy: -313.614719
where:
bonds (distance) C4'-P energy: -76.628
bonds (distance) P-C4' energy: -63.254
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -38.177
tors. eta vs tors. theta energy: -45.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -698.624228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.624228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.624228 (E_RNA)
where:
Base-Base interactions energy: -432.146
where: short stacking energy: -202.432
Base-Backbone interact. energy: 1.182
local terms energy: -267.660469
where:
bonds (distance) C4'-P energy: -70.433
bonds (distance) P-C4' energy: -67.232
flat angles C4'-P-C4' energy: -66.172
flat angles P-C4'-P energy: -30.734
tors. eta vs tors. theta energy: -33.089
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: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1569.782908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.782908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.782908 (E_RNA)
where:
Base-Base interactions energy: -1093.303
where: short stacking energy: -473.541
Base-Backbone interact. energy: -6.762
local terms energy: -469.717726
where:
bonds (distance) C4'-P energy: -79.823
bonds (distance) P-C4' energy: -88.774
flat angles C4'-P-C4' energy: -113.246
flat angles P-C4'-P energy: -56.922
tors. eta vs tors. theta energy: -130.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1538.470559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.470559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.470559 (E_RNA)
where:
Base-Base interactions energy: -1073.762
where: short stacking energy: -467.745
Base-Backbone interact. energy: -1.496
local terms energy: -463.212866
where:
bonds (distance) C4'-P energy: -93.414
bonds (distance) P-C4' energy: -77.474
flat angles C4'-P-C4' energy: -103.477
flat angles P-C4'-P energy: -64.731
tors. eta vs tors. theta energy: -124.116
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: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1446.093202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.093202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.093202 (E_RNA)
where:
Base-Base interactions energy: -992.955
where: short stacking energy: -437.982
Base-Backbone interact. energy: -1.544
local terms energy: -451.593684
where:
bonds (distance) C4'-P energy: -94.654
bonds (distance) P-C4' energy: -78.441
flat angles C4'-P-C4' energy: -101.604
flat angles P-C4'-P energy: -47.303
tors. eta vs tors. theta energy: -129.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1385.209281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.209281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.209281 (E_RNA)
where:
Base-Base interactions energy: -954.756
where: short stacking energy: -415.747
Base-Backbone interact. energy: -1.573
local terms energy: -428.880596
where:
bonds (distance) C4'-P energy: -85.186
bonds (distance) P-C4' energy: -79.380
flat angles C4'-P-C4' energy: -97.107
flat angles P-C4'-P energy: -54.863
tors. eta vs tors. theta energy: -112.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1322.060941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.060941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.060941 (E_RNA)
where:
Base-Base interactions energy: -897.698
where: short stacking energy: -395.937
Base-Backbone interact. energy: -1.185
local terms energy: -423.177982
where:
bonds (distance) C4'-P energy: -88.817
bonds (distance) P-C4' energy: -65.404
flat angles C4'-P-C4' energy: -92.668
flat angles P-C4'-P energy: -59.096
tors. eta vs tors. theta energy: -117.193
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: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1138.394729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.394729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.394729 (E_RNA)
where:
Base-Base interactions energy: -773.662
where: short stacking energy: -343.270
Base-Backbone interact. energy: 3.041
local terms energy: -367.773018
where:
bonds (distance) C4'-P energy: -76.161
bonds (distance) P-C4' energy: -79.087
flat angles C4'-P-C4' energy: -82.586
flat angles P-C4'-P energy: -53.714
tors. eta vs tors. theta energy: -76.225
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: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1024.041961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.041961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.041961 (E_RNA)
where:
Base-Base interactions energy: -666.558
where: short stacking energy: -308.630
Base-Backbone interact. energy: -0.043
local terms energy: -357.440733
where:
bonds (distance) C4'-P energy: -74.368
bonds (distance) P-C4' energy: -83.331
flat angles C4'-P-C4' energy: -84.118
flat angles P-C4'-P energy: -45.345
tors. eta vs tors. theta energy: -70.279
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: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -856.173809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.173809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.173809 (E_RNA)
where:
Base-Base interactions energy: -546.306
where: short stacking energy: -241.662
Base-Backbone interact. energy: 0.476
local terms energy: -310.343139
where:
bonds (distance) C4'-P energy: -66.405
bonds (distance) P-C4' energy: -75.075
flat angles C4'-P-C4' energy: -81.176
flat angles P-C4'-P energy: -41.972
tors. eta vs tors. theta energy: -45.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -804.584981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.584981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.584981 (E_RNA)
where:
Base-Base interactions energy: -483.650
where: short stacking energy: -228.834
Base-Backbone interact. energy: -2.466
local terms energy: -318.468401
where:
bonds (distance) C4'-P energy: -83.842
bonds (distance) P-C4' energy: -66.104
flat angles C4'-P-C4' energy: -78.719
flat angles P-C4'-P energy: -51.203
tors. eta vs tors. theta energy: -38.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -652.002082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.002082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.002082 (E_RNA)
where:
Base-Base interactions energy: -384.972
where: short stacking energy: -202.474
Base-Backbone interact. energy: 3.631
local terms energy: -270.660279
where:
bonds (distance) C4'-P energy: -56.960
bonds (distance) P-C4' energy: -74.227
flat angles C4'-P-C4' energy: -76.866
flat angles P-C4'-P energy: -46.273
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1575.061539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.061539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.061539 (E_RNA)
where:
Base-Base interactions energy: -1112.088
where: short stacking energy: -466.007
Base-Backbone interact. energy: -2.540
local terms energy: -460.433644
where:
bonds (distance) C4'-P energy: -86.464
bonds (distance) P-C4' energy: -85.949
flat angles C4'-P-C4' energy: -93.819
flat angles P-C4'-P energy: -60.987
tors. eta vs tors. theta energy: -133.214
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: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1554.972206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.972206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.972206 (E_RNA)
where:
Base-Base interactions energy: -1074.164
where: short stacking energy: -462.930
Base-Backbone interact. energy: -2.209
local terms energy: -478.599397
where:
bonds (distance) C4'-P energy: -94.590
bonds (distance) P-C4' energy: -92.315
flat angles C4'-P-C4' energy: -102.087
flat angles P-C4'-P energy: -55.256
tors. eta vs tors. theta energy: -134.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1464.973137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.973137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.973137 (E_RNA)
where:
Base-Base interactions energy: -994.083
where: short stacking energy: -452.395
Base-Backbone interact. energy: -1.589
local terms energy: -469.300859
where:
bonds (distance) C4'-P energy: -84.262
bonds (distance) P-C4' energy: -90.478
flat angles C4'-P-C4' energy: -101.136
flat angles P-C4'-P energy: -62.505
tors. eta vs tors. theta energy: -130.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1378.595554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.595554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.595554 (E_RNA)
where:
Base-Base interactions energy: -958.653
where: short stacking energy: -423.191
Base-Backbone interact. energy: -0.125
local terms energy: -419.817029
where:
bonds (distance) C4'-P energy: -88.523
bonds (distance) P-C4' energy: -76.033
flat angles C4'-P-C4' energy: -86.393
flat angles P-C4'-P energy: -60.736
tors. eta vs tors. theta energy: -108.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1318.173145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.173145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.173145 (E_RNA)
where:
Base-Base interactions energy: -886.092
where: short stacking energy: -385.989
Base-Backbone interact. energy: -2.913
local terms energy: -429.167636
where:
bonds (distance) C4'-P energy: -80.007
bonds (distance) P-C4' energy: -93.221
flat angles C4'-P-C4' energy: -89.213
flat angles P-C4'-P energy: -60.601
tors. eta vs tors. theta energy: -106.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1155.162577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.162577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.162577 (E_RNA)
where:
Base-Base interactions energy: -780.320
where: short stacking energy: -324.172
Base-Backbone interact. energy: -2.013
local terms energy: -372.829614
where:
bonds (distance) C4'-P energy: -66.433
bonds (distance) P-C4' energy: -73.550
flat angles C4'-P-C4' energy: -95.181
flat angles P-C4'-P energy: -57.888
tors. eta vs tors. theta energy: -79.778
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: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1023.996129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.996129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.996129 (E_RNA)
where:
Base-Base interactions energy: -680.211
where: short stacking energy: -311.811
Base-Backbone interact. energy: 1.821
local terms energy: -345.606837
where:
bonds (distance) C4'-P energy: -83.042
bonds (distance) P-C4' energy: -68.758
flat angles C4'-P-C4' energy: -72.355
flat angles P-C4'-P energy: -54.905
tors. eta vs tors. theta energy: -66.546
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: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -824.414945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.414945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.414945 (E_RNA)
where:
Base-Base interactions energy: -512.581
where: short stacking energy: -241.822
Base-Backbone interact. energy: 1.674
local terms energy: -313.508561
where:
bonds (distance) C4'-P energy: -73.133
bonds (distance) P-C4' energy: -69.089
flat angles C4'-P-C4' energy: -84.571
flat angles P-C4'-P energy: -41.665
tors. eta vs tors. theta energy: -45.052
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: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -800.910335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.910335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.910335 (E_RNA)
where:
Base-Base interactions energy: -486.452
where: short stacking energy: -242.853
Base-Backbone interact. energy: 2.010
local terms energy: -316.468729
where:
bonds (distance) C4'-P energy: -86.040
bonds (distance) P-C4' energy: -72.150
flat angles C4'-P-C4' energy: -77.342
flat angles P-C4'-P energy: -45.785
tors. eta vs tors. theta energy: -35.152
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: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -663.206199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.206199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.206199 (E_RNA)
where:
Base-Base interactions energy: -408.825
where: short stacking energy: -189.913
Base-Backbone interact. energy: -0.942
local terms energy: -253.439235
where:
bonds (distance) C4'-P energy: -72.577
bonds (distance) P-C4' energy: -83.809
flat angles C4'-P-C4' energy: -45.310
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1573.889508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.889508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.889508 (E_RNA)
where:
Base-Base interactions energy: -1103.953
where: short stacking energy: -480.554
Base-Backbone interact. energy: -2.291
local terms energy: -467.645461
where:
bonds (distance) C4'-P energy: -85.762
bonds (distance) P-C4' energy: -93.290
flat angles C4'-P-C4' energy: -85.969
flat angles P-C4'-P energy: -72.996
tors. eta vs tors. theta energy: -129.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1543.272334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.272334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.272334 (E_RNA)
where:
Base-Base interactions energy: -1062.209
where: short stacking energy: -445.424
Base-Backbone interact. energy: 2.067
local terms energy: -483.130417
where:
bonds (distance) C4'-P energy: -96.322
bonds (distance) P-C4' energy: -98.017
flat angles C4'-P-C4' energy: -97.922
flat angles P-C4'-P energy: -66.798
tors. eta vs tors. theta energy: -124.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1441.082986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.082986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.082986 (E_RNA)
where:
Base-Base interactions energy: -980.334
where: short stacking energy: -429.624
Base-Backbone interact. energy: -1.376
local terms energy: -459.372845
where:
bonds (distance) C4'-P energy: -80.048
bonds (distance) P-C4' energy: -86.845
flat angles C4'-P-C4' energy: -104.271
flat angles P-C4'-P energy: -64.703
tors. eta vs tors. theta energy: -123.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1357.019936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.019936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.019936 (E_RNA)
where:
Base-Base interactions energy: -911.703
where: short stacking energy: -424.970
Base-Backbone interact. energy: -1.348
local terms energy: -443.969194
where:
bonds (distance) C4'-P energy: -87.200
bonds (distance) P-C4' energy: -81.349
flat angles C4'-P-C4' energy: -93.033
flat angles P-C4'-P energy: -63.464
tors. eta vs tors. theta energy: -118.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1319.279240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.279240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.279240 (E_RNA)
where:
Base-Base interactions energy: -894.597
where: short stacking energy: -392.108
Base-Backbone interact. energy: 2.656
local terms energy: -427.337777
where:
bonds (distance) C4'-P energy: -82.432
bonds (distance) P-C4' energy: -82.394
flat angles C4'-P-C4' energy: -89.433
flat angles P-C4'-P energy: -68.220
tors. eta vs tors. theta energy: -104.858
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: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1145.800127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.800127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.800127 (E_RNA)
where:
Base-Base interactions energy: -777.854
where: short stacking energy: -346.027
Base-Backbone interact. energy: -0.552
local terms energy: -367.393785
where:
bonds (distance) C4'-P energy: -86.423
bonds (distance) P-C4' energy: -82.976
flat angles C4'-P-C4' energy: -79.390
flat angles P-C4'-P energy: -51.341
tors. eta vs tors. theta energy: -67.265
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: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1011.189160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.189160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.189160 (E_RNA)
where:
Base-Base interactions energy: -647.534
where: short stacking energy: -300.791
Base-Backbone interact. energy: 7.995
local terms energy: -371.650782
where:
bonds (distance) C4'-P energy: -64.759
bonds (distance) P-C4' energy: -74.148
flat angles C4'-P-C4' energy: -97.981
flat angles P-C4'-P energy: -62.756
tors. eta vs tors. theta energy: -72.006
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: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -858.944006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.944006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.944006 (E_RNA)
where:
Base-Base interactions energy: -513.825
where: short stacking energy: -254.528
Base-Backbone interact. energy: -0.673
local terms energy: -344.445729
where:
bonds (distance) C4'-P energy: -85.972
bonds (distance) P-C4' energy: -86.815
flat angles C4'-P-C4' energy: -73.110
flat angles P-C4'-P energy: -52.665
tors. eta vs tors. theta energy: -45.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -776.505226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.505226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.505226 (E_RNA)
where:
Base-Base interactions energy: -469.162
where: short stacking energy: -222.174
Base-Backbone interact. energy: 0.970
local terms energy: -308.313045
where:
bonds (distance) C4'-P energy: -65.480
bonds (distance) P-C4' energy: -82.224
flat angles C4'-P-C4' energy: -78.345
flat angles P-C4'-P energy: -41.150
tors. eta vs tors. theta energy: -41.115
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: 341
Temperature: 1.350000
Total energy: -648.445534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.445534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.445534 (E_RNA)
where:
Base-Base interactions energy: -390.944
where: short stacking energy: -196.321
Base-Backbone interact. energy: -0.767
local terms energy: -256.734360
where:
bonds (distance) C4'-P energy: -72.928
bonds (distance) P-C4' energy: -69.909
flat angles C4'-P-C4' energy: -65.743
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -7.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1597.790883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.790883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.790883 (E_RNA)
where:
Base-Base interactions energy: -1115.916
where: short stacking energy: -480.402
Base-Backbone interact. energy: -2.137
local terms energy: -479.737119
where:
bonds (distance) C4'-P energy: -83.092
bonds (distance) P-C4' energy: -91.133
flat angles C4'-P-C4' energy: -102.968
flat angles P-C4'-P energy: -67.236
tors. eta vs tors. theta energy: -135.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1542.065381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.065381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.065381 (E_RNA)
where:
Base-Base interactions energy: -1066.592
where: short stacking energy: -460.572
Base-Backbone interact. energy: -0.927
local terms energy: -474.546359
where:
bonds (distance) C4'-P energy: -89.130
bonds (distance) P-C4' energy: -78.903
flat angles C4'-P-C4' energy: -106.967
flat angles P-C4'-P energy: -71.254
tors. eta vs tors. theta energy: -128.292
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: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1407.580532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.580532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.580532 (E_RNA)
where:
Base-Base interactions energy: -928.858
where: short stacking energy: -422.824
Base-Backbone interact. energy: -0.810
local terms energy: -477.912984
where:
bonds (distance) C4'-P energy: -85.669
bonds (distance) P-C4' energy: -96.240
flat angles C4'-P-C4' energy: -100.875
flat angles P-C4'-P energy: -68.734
tors. eta vs tors. theta energy: -126.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1400.998935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.998935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.998935 (E_RNA)
where:
Base-Base interactions energy: -942.226
where: short stacking energy: -423.842
Base-Backbone interact. energy: -2.636
local terms energy: -456.137707
where:
bonds (distance) C4'-P energy: -89.900
bonds (distance) P-C4' energy: -89.734
flat angles C4'-P-C4' energy: -95.071
flat angles P-C4'-P energy: -64.530
tors. eta vs tors. theta energy: -116.903
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: 342
Temperature: 1.100000
Total energy: -1307.908363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.908363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.908363 (E_RNA)
where:
Base-Base interactions energy: -907.894
where: short stacking energy: -357.122
Base-Backbone interact. energy: 2.605
local terms energy: -402.619466
where:
bonds (distance) C4'-P energy: -58.282
bonds (distance) P-C4' energy: -90.922
flat angles C4'-P-C4' energy: -91.249
flat angles P-C4'-P energy: -68.290
tors. eta vs tors. theta energy: -93.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1206.322920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.322920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.322920 (E_RNA)
where:
Base-Base interactions energy: -823.191
where: short stacking energy: -352.997
Base-Backbone interact. energy: -3.502
local terms energy: -379.629665
where:
bonds (distance) C4'-P energy: -82.435
bonds (distance) P-C4' energy: -80.097
flat angles C4'-P-C4' energy: -89.425
flat angles P-C4'-P energy: -48.085
tors. eta vs tors. theta energy: -79.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1010.306701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.306701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.306701 (E_RNA)
where:
Base-Base interactions energy: -648.997
where: short stacking energy: -300.752
Base-Backbone interact. energy: -1.079
local terms energy: -360.230227
where:
bonds (distance) C4'-P energy: -73.749
bonds (distance) P-C4' energy: -91.062
flat angles C4'-P-C4' energy: -84.034
flat angles P-C4'-P energy: -41.802
tors. eta vs tors. theta energy: -69.584
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: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -864.998047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.998047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.998047 (E_RNA)
where:
Base-Base interactions energy: -544.208
where: short stacking energy: -253.158
Base-Backbone interact. energy: 0.804
local terms energy: -321.593578
where:
bonds (distance) C4'-P energy: -67.562
bonds (distance) P-C4' energy: -83.395
flat angles C4'-P-C4' energy: -80.393
flat angles P-C4'-P energy: -35.729
tors. eta vs tors. theta energy: -54.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -771.174034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.174034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.174034 (E_RNA)
where:
Base-Base interactions energy: -486.242
where: short stacking energy: -218.274
Base-Backbone interact. energy: -1.840
local terms energy: -283.092469
where:
bonds (distance) C4'-P energy: -82.282
bonds (distance) P-C4' energy: -67.733
flat angles C4'-P-C4' energy: -53.956
flat angles P-C4'-P energy: -48.379
tors. eta vs tors. theta energy: -30.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -660.368972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.368972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.368972 (E_RNA)
where:
Base-Base interactions energy: -392.053
where: short stacking energy: -179.731
Base-Backbone interact. energy: 1.153
local terms energy: -269.468954
where:
bonds (distance) C4'-P energy: -55.954
bonds (distance) P-C4' energy: -82.883
flat angles C4'-P-C4' energy: -65.328
flat angles P-C4'-P energy: -48.370
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: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1589.328098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.328098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.328098 (E_RNA)
where:
Base-Base interactions energy: -1092.845
where: short stacking energy: -476.685
Base-Backbone interact. energy: -2.824
local terms energy: -493.659348
where:
bonds (distance) C4'-P energy: -88.022
bonds (distance) P-C4' energy: -102.181
flat angles C4'-P-C4' energy: -101.817
flat angles P-C4'-P energy: -66.192
tors. eta vs tors. theta energy: -135.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1562.048606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.048606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.048606 (E_RNA)
where:
Base-Base interactions energy: -1099.387
where: short stacking energy: -463.640
Base-Backbone interact. energy: -0.866
local terms energy: -461.795310
where:
bonds (distance) C4'-P energy: -85.531
bonds (distance) P-C4' energy: -90.184
flat angles C4'-P-C4' energy: -97.715
flat angles P-C4'-P energy: -60.469
tors. eta vs tors. theta energy: -127.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1416.410157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.410157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.410157 (E_RNA)
where:
Base-Base interactions energy: -948.907
where: short stacking energy: -405.392
Base-Backbone interact. energy: -0.010
local terms energy: -467.492342
where:
bonds (distance) C4'-P energy: -97.191
bonds (distance) P-C4' energy: -79.332
flat angles C4'-P-C4' energy: -104.910
flat angles P-C4'-P energy: -66.915
tors. eta vs tors. theta energy: -119.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1383.992692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.992692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.992692 (E_RNA)
where:
Base-Base interactions energy: -918.875
where: short stacking energy: -389.338
Base-Backbone interact. energy: -1.219
local terms energy: -463.898738
where:
bonds (distance) C4'-P energy: -86.428
bonds (distance) P-C4' energy: -95.271
flat angles C4'-P-C4' energy: -96.512
flat angles P-C4'-P energy: -74.667
tors. eta vs tors. theta energy: -111.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1316.913868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.913868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.913868 (E_RNA)
where:
Base-Base interactions energy: -915.804
where: short stacking energy: -426.314
Base-Backbone interact. energy: -0.587
local terms energy: -400.522421
where:
bonds (distance) C4'-P energy: -61.157
bonds (distance) P-C4' energy: -79.504
flat angles C4'-P-C4' energy: -88.896
flat angles P-C4'-P energy: -62.043
tors. eta vs tors. theta energy: -108.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1218.665993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.665993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.665993 (E_RNA)
where:
Base-Base interactions energy: -850.707
where: short stacking energy: -364.558
Base-Backbone interact. energy: -2.199
local terms energy: -365.759964
where:
bonds (distance) C4'-P energy: -73.335
bonds (distance) P-C4' energy: -72.954
flat angles C4'-P-C4' energy: -91.649
flat angles P-C4'-P energy: -44.730
tors. eta vs tors. theta energy: -83.093
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: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -972.438849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.438849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.438849 (E_RNA)
where:
Base-Base interactions energy: -622.741
where: short stacking energy: -289.468
Base-Backbone interact. energy: 1.748
local terms energy: -351.445657
where:
bonds (distance) C4'-P energy: -75.770
bonds (distance) P-C4' energy: -77.548
flat angles C4'-P-C4' energy: -83.324
flat angles P-C4'-P energy: -52.894
tors. eta vs tors. theta energy: -61.910
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: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -855.071124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.071124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.071124 (E_RNA)
where:
Base-Base interactions energy: -533.873
where: short stacking energy: -266.095
Base-Backbone interact. energy: -1.094
local terms energy: -320.104588
where:
bonds (distance) C4'-P energy: -71.108
bonds (distance) P-C4' energy: -81.317
flat angles C4'-P-C4' energy: -80.457
flat angles P-C4'-P energy: -38.869
tors. eta vs tors. theta energy: -48.354
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: 343
Temperature: 1.300000
Total energy: -726.141064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.141064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.141064 (E_RNA)
where:
Base-Base interactions energy: -425.126
where: short stacking energy: -206.127
Base-Backbone interact. energy: 1.749
local terms energy: -302.763763
where:
bonds (distance) C4'-P energy: -64.504
bonds (distance) P-C4' energy: -85.774
flat angles C4'-P-C4' energy: -80.639
flat angles P-C4'-P energy: -44.286
tors. eta vs tors. theta energy: -27.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -695.926443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.926443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.926443 (E_RNA)
where:
Base-Base interactions energy: -423.517
where: short stacking energy: -218.493
Base-Backbone interact. energy: -6.491
local terms energy: -265.917874
where:
bonds (distance) C4'-P energy: -54.736
bonds (distance) P-C4' energy: -72.212
flat angles C4'-P-C4' energy: -62.947
flat angles P-C4'-P energy: -40.462
tors. eta vs tors. theta energy: -35.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1554.387283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.387283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.387283 (E_RNA)
where:
Base-Base interactions energy: -1085.724
where: short stacking energy: -457.035
Base-Backbone interact. energy: -3.364
local terms energy: -465.299263
where:
bonds (distance) C4'-P energy: -88.662
bonds (distance) P-C4' energy: -83.349
flat angles C4'-P-C4' energy: -105.937
flat angles P-C4'-P energy: -64.055
tors. eta vs tors. theta energy: -123.296
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: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1541.114277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.114277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.114277 (E_RNA)
where:
Base-Base interactions energy: -1067.475
where: short stacking energy: -451.423
Base-Backbone interact. energy: 1.577
local terms energy: -475.216546
where:
bonds (distance) C4'-P energy: -95.907
bonds (distance) P-C4' energy: -90.533
flat angles C4'-P-C4' energy: -101.556
flat angles P-C4'-P energy: -59.164
tors. eta vs tors. theta energy: -128.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1445.805956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.805956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.805956 (E_RNA)
where:
Base-Base interactions energy: -996.238
where: short stacking energy: -434.212
Base-Backbone interact. energy: 0.502
local terms energy: -450.069340
where:
bonds (distance) C4'-P energy: -95.937
bonds (distance) P-C4' energy: -85.957
flat angles C4'-P-C4' energy: -86.722
flat angles P-C4'-P energy: -68.934
tors. eta vs tors. theta energy: -112.520
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: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1387.327818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.327818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.327818 (E_RNA)
where:
Base-Base interactions energy: -962.555
where: short stacking energy: -430.630
Base-Backbone interact. energy: -0.283
local terms energy: -424.489545
where:
bonds (distance) C4'-P energy: -83.446
bonds (distance) P-C4' energy: -74.876
flat angles C4'-P-C4' energy: -90.981
flat angles P-C4'-P energy: -56.168
tors. eta vs tors. theta energy: -119.019
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: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1310.163277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.163277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.163277 (E_RNA)
where:
Base-Base interactions energy: -892.812
where: short stacking energy: -391.513
Base-Backbone interact. energy: 0.361
local terms energy: -417.712566
where:
bonds (distance) C4'-P energy: -83.306
bonds (distance) P-C4' energy: -80.736
flat angles C4'-P-C4' energy: -95.905
flat angles P-C4'-P energy: -57.064
tors. eta vs tors. theta energy: -100.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1232.379800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.379800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.379800 (E_RNA)
where:
Base-Base interactions energy: -843.052
where: short stacking energy: -371.992
Base-Backbone interact. energy: -0.924
local terms energy: -388.403625
where:
bonds (distance) C4'-P energy: -75.381
bonds (distance) P-C4' energy: -72.642
flat angles C4'-P-C4' energy: -88.412
flat angles P-C4'-P energy: -66.368
tors. eta vs tors. theta energy: -85.600
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: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -990.534058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.534058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.534058 (E_RNA)
where:
Base-Base interactions energy: -652.252
where: short stacking energy: -294.593
Base-Backbone interact. energy: -0.521
local terms energy: -337.761151
where:
bonds (distance) C4'-P energy: -61.948
bonds (distance) P-C4' energy: -90.129
flat angles C4'-P-C4' energy: -69.303
flat angles P-C4'-P energy: -44.338
tors. eta vs tors. theta energy: -72.043
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: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -957.939633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.939633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.939633 (E_RNA)
where:
Base-Base interactions energy: -610.415
where: short stacking energy: -294.900
Base-Backbone interact. energy: 1.532
local terms energy: -349.057202
where:
bonds (distance) C4'-P energy: -73.570
bonds (distance) P-C4' energy: -85.450
flat angles C4'-P-C4' energy: -81.098
flat angles P-C4'-P energy: -47.822
tors. eta vs tors. theta energy: -61.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -694.136147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.136147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.136147 (E_RNA)
where:
Base-Base interactions energy: -404.574
where: short stacking energy: -186.629
Base-Backbone interact. energy: -1.412
local terms energy: -288.149986
where:
bonds (distance) C4'-P energy: -92.047
bonds (distance) P-C4' energy: -75.482
flat angles C4'-P-C4' energy: -73.890
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -23.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -686.819860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.819860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.819860 (E_RNA)
where:
Base-Base interactions energy: -406.883
where: short stacking energy: -199.053
Base-Backbone interact. energy: -1.578
local terms energy: -278.358697
where:
bonds (distance) C4'-P energy: -71.736
bonds (distance) P-C4' energy: -64.390
flat angles C4'-P-C4' energy: -79.267
flat angles P-C4'-P energy: -50.970
tors. eta vs tors. theta energy: -11.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1588.791984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.791984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.791984 (E_RNA)
where:
Base-Base interactions energy: -1103.415
where: short stacking energy: -459.043
Base-Backbone interact. energy: -0.433
local terms energy: -484.944264
where:
bonds (distance) C4'-P energy: -88.553
bonds (distance) P-C4' energy: -95.913
flat angles C4'-P-C4' energy: -106.873
flat angles P-C4'-P energy: -67.534
tors. eta vs tors. theta energy: -126.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1542.374289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.374289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.374289 (E_RNA)
where:
Base-Base interactions energy: -1064.398
where: short stacking energy: -455.740
Base-Backbone interact. energy: 0.063
local terms energy: -478.039414
where:
bonds (distance) C4'-P energy: -82.040
bonds (distance) P-C4' energy: -100.926
flat angles C4'-P-C4' energy: -99.796
flat angles P-C4'-P energy: -70.556
tors. eta vs tors. theta energy: -124.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1418.736461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.736461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.736461 (E_RNA)
where:
Base-Base interactions energy: -976.618
where: short stacking energy: -430.272
Base-Backbone interact. energy: 1.401
local terms energy: -443.519571
where:
bonds (distance) C4'-P energy: -85.871
bonds (distance) P-C4' energy: -88.039
flat angles C4'-P-C4' energy: -92.288
flat angles P-C4'-P energy: -58.818
tors. eta vs tors. theta energy: -118.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1332.530819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.530819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.530819 (E_RNA)
where:
Base-Base interactions energy: -897.718
where: short stacking energy: -424.087
Base-Backbone interact. energy: -1.923
local terms energy: -432.889728
where:
bonds (distance) C4'-P energy: -83.198
bonds (distance) P-C4' energy: -90.157
flat angles C4'-P-C4' energy: -90.829
flat angles P-C4'-P energy: -66.013
tors. eta vs tors. theta energy: -102.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1304.368494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.368494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.368494 (E_RNA)
where:
Base-Base interactions energy: -874.459
where: short stacking energy: -391.446
Base-Backbone interact. energy: 0.454
local terms energy: -430.363785
where:
bonds (distance) C4'-P energy: -88.816
bonds (distance) P-C4' energy: -85.199
flat angles C4'-P-C4' energy: -95.392
flat angles P-C4'-P energy: -52.024
tors. eta vs tors. theta energy: -108.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1229.371515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.371515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.371515 (E_RNA)
where:
Base-Base interactions energy: -808.057
where: short stacking energy: -347.606
Base-Backbone interact. energy: -3.463
local terms energy: -417.851241
where:
bonds (distance) C4'-P energy: -98.748
bonds (distance) P-C4' energy: -82.110
flat angles C4'-P-C4' energy: -83.048
flat angles P-C4'-P energy: -56.433
tors. eta vs tors. theta energy: -97.511
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: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1043.513489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.513489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.513489 (E_RNA)
where:
Base-Base interactions energy: -676.328
where: short stacking energy: -326.175
Base-Backbone interact. energy: -0.948
local terms energy: -366.237252
where:
bonds (distance) C4'-P energy: -72.525
bonds (distance) P-C4' energy: -77.062
flat angles C4'-P-C4' energy: -92.012
flat angles P-C4'-P energy: -48.573
tors. eta vs tors. theta energy: -76.065
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: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -935.468881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.468881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.468881 (E_RNA)
where:
Base-Base interactions energy: -598.416
where: short stacking energy: -286.353
Base-Backbone interact. energy: -1.230
local terms energy: -335.822751
where:
bonds (distance) C4'-P energy: -66.298
bonds (distance) P-C4' energy: -77.302
flat angles C4'-P-C4' energy: -85.348
flat angles P-C4'-P energy: -44.830
tors. eta vs tors. theta energy: -62.046
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: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -674.075302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.075302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.075302 (E_RNA)
where:
Base-Base interactions energy: -404.937
where: short stacking energy: -199.527
Base-Backbone interact. energy: -2.560
local terms energy: -266.578369
where:
bonds (distance) C4'-P energy: -71.335
bonds (distance) P-C4' energy: -69.354
flat angles C4'-P-C4' energy: -73.141
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: -10.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -745.822414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.822414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.822414 (E_RNA)
where:
Base-Base interactions energy: -453.665
where: short stacking energy: -208.528
Base-Backbone interact. energy: 0.032
local terms energy: -292.189749
where:
bonds (distance) C4'-P energy: -63.961
bonds (distance) P-C4' energy: -82.421
flat angles C4'-P-C4' energy: -74.884
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -31.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1582.743676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.743676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.743676 (E_RNA)
where:
Base-Base interactions energy: -1105.652
where: short stacking energy: -480.496
Base-Backbone interact. energy: -0.158
local terms energy: -476.933288
where:
bonds (distance) C4'-P energy: -90.117
bonds (distance) P-C4' energy: -90.072
flat angles C4'-P-C4' energy: -101.935
flat angles P-C4'-P energy: -60.467
tors. eta vs tors. theta energy: -134.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1538.343301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.343301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.343301 (E_RNA)
where:
Base-Base interactions energy: -1071.265
where: short stacking energy: -435.065
Base-Backbone interact. energy: 0.380
local terms energy: -467.457880
where:
bonds (distance) C4'-P energy: -85.952
bonds (distance) P-C4' energy: -86.642
flat angles C4'-P-C4' energy: -99.926
flat angles P-C4'-P energy: -66.938
tors. eta vs tors. theta energy: -127.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1423.333699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.333699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.333699 (E_RNA)
where:
Base-Base interactions energy: -956.569
where: short stacking energy: -436.099
Base-Backbone interact. energy: -1.431
local terms energy: -465.334400
where:
bonds (distance) C4'-P energy: -94.761
bonds (distance) P-C4' energy: -86.032
flat angles C4'-P-C4' energy: -99.811
flat angles P-C4'-P energy: -60.231
tors. eta vs tors. theta energy: -124.500
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: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1360.750875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.750875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.750875 (E_RNA)
where:
Base-Base interactions energy: -929.485
where: short stacking energy: -399.989
Base-Backbone interact. energy: 0.890
local terms energy: -432.155435
where:
bonds (distance) C4'-P energy: -80.400
bonds (distance) P-C4' energy: -82.785
flat angles C4'-P-C4' energy: -96.701
flat angles P-C4'-P energy: -60.012
tors. eta vs tors. theta energy: -112.256
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: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1290.717070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.717070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.717070 (E_RNA)
where:
Base-Base interactions energy: -890.606
where: short stacking energy: -404.150
Base-Backbone interact. energy: 1.037
local terms energy: -401.148951
where:
bonds (distance) C4'-P energy: -72.096
bonds (distance) P-C4' energy: -75.824
flat angles C4'-P-C4' energy: -92.367
flat angles P-C4'-P energy: -57.951
tors. eta vs tors. theta energy: -102.912
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: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1252.472057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.472057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.472057 (E_RNA)
where:
Base-Base interactions energy: -876.171
where: short stacking energy: -353.923
Base-Backbone interact. energy: -2.070
local terms energy: -374.231514
where:
bonds (distance) C4'-P energy: -74.715
bonds (distance) P-C4' energy: -74.890
flat angles C4'-P-C4' energy: -82.495
flat angles P-C4'-P energy: -56.598
tors. eta vs tors. theta energy: -85.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1029.678891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.678891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.678891 (E_RNA)
where:
Base-Base interactions energy: -669.602
where: short stacking energy: -330.979
Base-Backbone interact. energy: 0.984
local terms energy: -361.060846
where:
bonds (distance) C4'-P energy: -69.469
bonds (distance) P-C4' energy: -70.626
flat angles C4'-P-C4' energy: -85.757
flat angles P-C4'-P energy: -53.442
tors. eta vs tors. theta energy: -81.767
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: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -884.532044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.532044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.532044 (E_RNA)
where:
Base-Base interactions energy: -563.810
where: short stacking energy: -247.214
Base-Backbone interact. energy: 2.549
local terms energy: -323.270719
where:
bonds (distance) C4'-P energy: -74.603
bonds (distance) P-C4' energy: -74.437
flat angles C4'-P-C4' energy: -81.989
flat angles P-C4'-P energy: -54.938
tors. eta vs tors. theta energy: -37.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -692.600064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.600064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.600064 (E_RNA)
where:
Base-Base interactions energy: -392.227
where: short stacking energy: -182.655
Base-Backbone interact. energy: -0.100
local terms energy: -300.272617
where:
bonds (distance) C4'-P energy: -77.236
bonds (distance) P-C4' energy: -85.679
flat angles C4'-P-C4' energy: -77.794
flat angles P-C4'-P energy: -43.211
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -578.111482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.111482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.111482 (E_RNA)
where:
Base-Base interactions energy: -320.037
where: short stacking energy: -170.953
Base-Backbone interact. energy: -0.274
local terms energy: -257.800321
where:
bonds (distance) C4'-P energy: -65.746
bonds (distance) P-C4' energy: -74.858
flat angles C4'-P-C4' energy: -68.693
flat angles P-C4'-P energy: -48.399
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1579.467761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.467761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.467761 (E_RNA)
where:
Base-Base interactions energy: -1096.911
where: short stacking energy: -467.735
Base-Backbone interact. energy: -1.940
local terms energy: -480.616862
where:
bonds (distance) C4'-P energy: -80.269
bonds (distance) P-C4' energy: -94.935
flat angles C4'-P-C4' energy: -107.972
flat angles P-C4'-P energy: -69.434
tors. eta vs tors. theta energy: -128.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1518.001121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.001121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.001121 (E_RNA)
where:
Base-Base interactions energy: -1056.517
where: short stacking energy: -424.201
Base-Backbone interact. energy: -1.079
local terms energy: -460.404762
where:
bonds (distance) C4'-P energy: -89.379
bonds (distance) P-C4' energy: -85.334
flat angles C4'-P-C4' energy: -102.421
flat angles P-C4'-P energy: -61.398
tors. eta vs tors. theta energy: -121.873
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: 347
Temperature: 1.000000
Total energy: -1399.452850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.452850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.452850 (E_RNA)
where:
Base-Base interactions energy: -932.409
where: short stacking energy: -422.735
Base-Backbone interact. energy: -2.130
local terms energy: -464.913581
where:
bonds (distance) C4'-P energy: -81.440
bonds (distance) P-C4' energy: -93.186
flat angles C4'-P-C4' energy: -107.548
flat angles P-C4'-P energy: -66.985
tors. eta vs tors. theta energy: -115.755
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: 347
Temperature: 1.050000
Total energy: -1398.074927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.074927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.074927 (E_RNA)
where:
Base-Base interactions energy: -944.664
where: short stacking energy: -436.164
Base-Backbone interact. energy: -1.362
local terms energy: -452.048495
where:
bonds (distance) C4'-P energy: -88.509
bonds (distance) P-C4' energy: -71.931
flat angles C4'-P-C4' energy: -97.333
flat angles P-C4'-P energy: -69.225
tors. eta vs tors. theta energy: -125.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1304.012569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.012569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.012569 (E_RNA)
where:
Base-Base interactions energy: -883.150
where: short stacking energy: -399.103
Base-Backbone interact. energy: -0.519
local terms energy: -420.343282
where:
bonds (distance) C4'-P energy: -89.343
bonds (distance) P-C4' energy: -67.547
flat angles C4'-P-C4' energy: -95.758
flat angles P-C4'-P energy: -63.866
tors. eta vs tors. theta energy: -103.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1258.454334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.454334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.454334 (E_RNA)
where:
Base-Base interactions energy: -866.267
where: short stacking energy: -343.771
Base-Backbone interact. energy: -2.024
local terms energy: -390.163456
where:
bonds (distance) C4'-P energy: -70.240
bonds (distance) P-C4' energy: -86.659
flat angles C4'-P-C4' energy: -100.500
flat angles P-C4'-P energy: -48.843
tors. eta vs tors. theta energy: -83.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1015.798298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.798298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.798298 (E_RNA)
where:
Base-Base interactions energy: -648.139
where: short stacking energy: -326.185
Base-Backbone interact. energy: 0.455
local terms energy: -368.114240
where:
bonds (distance) C4'-P energy: -64.667
bonds (distance) P-C4' energy: -79.889
flat angles C4'-P-C4' energy: -90.556
flat angles P-C4'-P energy: -54.257
tors. eta vs tors. theta energy: -78.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -911.821922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.821922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.821922 (E_RNA)
where:
Base-Base interactions energy: -572.650
where: short stacking energy: -233.006
Base-Backbone interact. energy: -0.649
local terms energy: -338.522882
where:
bonds (distance) C4'-P energy: -77.399
bonds (distance) P-C4' energy: -89.467
flat angles C4'-P-C4' energy: -79.286
flat angles P-C4'-P energy: -45.139
tors. eta vs tors. theta energy: -47.232
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: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -723.397468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.397468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.397468 (E_RNA)
where:
Base-Base interactions energy: -438.630
where: short stacking energy: -203.680
Base-Backbone interact. energy: 1.582
local terms energy: -286.349658
where:
bonds (distance) C4'-P energy: -73.436
bonds (distance) P-C4' energy: -83.142
flat angles C4'-P-C4' energy: -79.725
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -26.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -601.821874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.821874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.821874 (E_RNA)
where:
Base-Base interactions energy: -340.748
where: short stacking energy: -201.578
Base-Backbone interact. energy: -0.175
local terms energy: -260.899179
where:
bonds (distance) C4'-P energy: -78.701
bonds (distance) P-C4' energy: -75.426
flat angles C4'-P-C4' energy: -62.960
flat angles P-C4'-P energy: -27.689
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1580.385024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.385024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.385024 (E_RNA)
where:
Base-Base interactions energy: -1109.678
where: short stacking energy: -485.171
Base-Backbone interact. energy: -2.074
local terms energy: -468.633082
where:
bonds (distance) C4'-P energy: -90.249
bonds (distance) P-C4' energy: -97.145
flat angles C4'-P-C4' energy: -89.259
flat angles P-C4'-P energy: -57.652
tors. eta vs tors. theta energy: -134.328
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: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1515.857263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.857263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.857263 (E_RNA)
where:
Base-Base interactions energy: -1063.817
where: short stacking energy: -424.777
Base-Backbone interact. energy: -0.208
local terms energy: -451.832361
where:
bonds (distance) C4'-P energy: -101.730
bonds (distance) P-C4' energy: -83.487
flat angles C4'-P-C4' energy: -85.990
flat angles P-C4'-P energy: -69.361
tors. eta vs tors. theta energy: -111.264
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: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1425.003649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.003649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.003649 (E_RNA)
where:
Base-Base interactions energy: -958.739
where: short stacking energy: -448.271
Base-Backbone interact. energy: 5.387
local terms energy: -471.651871
where:
bonds (distance) C4'-P energy: -98.137
bonds (distance) P-C4' energy: -85.426
flat angles C4'-P-C4' energy: -99.631
flat angles P-C4'-P energy: -65.995
tors. eta vs tors. theta energy: -122.462
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: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1368.785162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.785162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.785162 (E_RNA)
where:
Base-Base interactions energy: -926.827
where: short stacking energy: -423.535
Base-Backbone interact. energy: -1.632
local terms energy: -440.325835
where:
bonds (distance) C4'-P energy: -80.011
bonds (distance) P-C4' energy: -90.677
flat angles C4'-P-C4' energy: -98.058
flat angles P-C4'-P energy: -52.468
tors. eta vs tors. theta energy: -119.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1310.362163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.362163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.362163 (E_RNA)
where:
Base-Base interactions energy: -885.121
where: short stacking energy: -419.203
Base-Backbone interact. energy: -0.902
local terms energy: -424.339105
where:
bonds (distance) C4'-P energy: -72.214
bonds (distance) P-C4' energy: -89.600
flat angles C4'-P-C4' energy: -95.391
flat angles P-C4'-P energy: -60.329
tors. eta vs tors. theta energy: -106.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1218.750592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.750592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.750592 (E_RNA)
where:
Base-Base interactions energy: -823.203
where: short stacking energy: -366.659
Base-Backbone interact. energy: -1.869
local terms energy: -393.679121
where:
bonds (distance) C4'-P energy: -82.642
bonds (distance) P-C4' energy: -77.740
flat angles C4'-P-C4' energy: -81.721
flat angles P-C4'-P energy: -59.835
tors. eta vs tors. theta energy: -91.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1010.183792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.183792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.183792 (E_RNA)
where:
Base-Base interactions energy: -664.266
where: short stacking energy: -300.030
Base-Backbone interact. energy: -3.242
local terms energy: -342.675576
where:
bonds (distance) C4'-P energy: -76.816
bonds (distance) P-C4' energy: -67.947
flat angles C4'-P-C4' energy: -73.035
flat angles P-C4'-P energy: -63.263
tors. eta vs tors. theta energy: -61.615
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: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -933.463501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.463501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.463501 (E_RNA)
where:
Base-Base interactions energy: -599.430
where: short stacking energy: -265.452
Base-Backbone interact. energy: -2.319
local terms energy: -331.714317
where:
bonds (distance) C4'-P energy: -68.908
bonds (distance) P-C4' energy: -92.200
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -64.831
tors. eta vs tors. theta energy: -47.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -709.949220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.949220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.949220 (E_RNA)
where:
Base-Base interactions energy: -443.799
where: short stacking energy: -213.072
Base-Backbone interact. energy: -2.522
local terms energy: -263.628520
where:
bonds (distance) C4'-P energy: -64.968
bonds (distance) P-C4' energy: -79.547
flat angles C4'-P-C4' energy: -75.347
flat angles P-C4'-P energy: -21.514
tors. eta vs tors. theta energy: -22.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -599.929652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.929652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.929652 (E_RNA)
where:
Base-Base interactions energy: -329.403
where: short stacking energy: -191.364
Base-Backbone interact. energy: 0.467
local terms energy: -270.993475
where:
bonds (distance) C4'-P energy: -84.339
bonds (distance) P-C4' energy: -68.987
flat angles C4'-P-C4' energy: -61.783
flat angles P-C4'-P energy: -34.574
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1582.565353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.565353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.565353 (E_RNA)
where:
Base-Base interactions energy: -1102.497
where: short stacking energy: -482.137
Base-Backbone interact. energy: 0.031
local terms energy: -480.099601
where:
bonds (distance) C4'-P energy: -95.188
bonds (distance) P-C4' energy: -97.266
flat angles C4'-P-C4' energy: -87.763
flat angles P-C4'-P energy: -64.750
tors. eta vs tors. theta energy: -135.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1535.114361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.114361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.114361 (E_RNA)
where:
Base-Base interactions energy: -1068.851
where: short stacking energy: -407.042
Base-Backbone interact. energy: -3.063
local terms energy: -463.200244
where:
bonds (distance) C4'-P energy: -86.014
bonds (distance) P-C4' energy: -95.810
flat angles C4'-P-C4' energy: -97.430
flat angles P-C4'-P energy: -65.831
tors. eta vs tors. theta energy: -118.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1424.771257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.771257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.771257 (E_RNA)
where:
Base-Base interactions energy: -958.432
where: short stacking energy: -434.343
Base-Backbone interact. energy: -1.304
local terms energy: -465.034813
where:
bonds (distance) C4'-P energy: -84.600
bonds (distance) P-C4' energy: -87.082
flat angles C4'-P-C4' energy: -101.264
flat angles P-C4'-P energy: -65.411
tors. eta vs tors. theta energy: -126.678
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: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1325.165470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.165470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.165470 (E_RNA)
where:
Base-Base interactions energy: -864.428
where: short stacking energy: -413.170
Base-Backbone interact. energy: 0.945
local terms energy: -461.681802
where:
bonds (distance) C4'-P energy: -89.825
bonds (distance) P-C4' energy: -92.902
flat angles C4'-P-C4' energy: -92.565
flat angles P-C4'-P energy: -71.315
tors. eta vs tors. theta energy: -115.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1368.036512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.036512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.036512 (E_RNA)
where:
Base-Base interactions energy: -914.833
where: short stacking energy: -413.601
Base-Backbone interact. energy: -2.091
local terms energy: -451.112767
where:
bonds (distance) C4'-P energy: -83.751
bonds (distance) P-C4' energy: -84.371
flat angles C4'-P-C4' energy: -97.299
flat angles P-C4'-P energy: -60.603
tors. eta vs tors. theta energy: -125.089
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: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1260.638146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.638146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.638146 (E_RNA)
where:
Base-Base interactions energy: -854.077
where: short stacking energy: -385.227
Base-Backbone interact. energy: -2.582
local terms energy: -403.978482
where:
bonds (distance) C4'-P energy: -72.392
bonds (distance) P-C4' energy: -78.191
flat angles C4'-P-C4' energy: -96.774
flat angles P-C4'-P energy: -54.409
tors. eta vs tors. theta energy: -102.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1026.009071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.009071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.009071 (E_RNA)
where:
Base-Base interactions energy: -672.020
where: short stacking energy: -328.018
Base-Backbone interact. energy: 6.188
local terms energy: -360.177355
where:
bonds (distance) C4'-P energy: -77.767
bonds (distance) P-C4' energy: -79.290
flat angles C4'-P-C4' energy: -77.288
flat angles P-C4'-P energy: -56.059
tors. eta vs tors. theta energy: -69.773
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: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -878.920271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.920271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.920271 (E_RNA)
where:
Base-Base interactions energy: -569.511
where: short stacking energy: -259.541
Base-Backbone interact. energy: -4.361
local terms energy: -305.047719
where:
bonds (distance) C4'-P energy: -83.092
bonds (distance) P-C4' energy: -68.987
flat angles C4'-P-C4' energy: -79.528
flat angles P-C4'-P energy: -39.569
tors. eta vs tors. theta energy: -33.873
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: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -748.496725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.496725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.496725 (E_RNA)
where:
Base-Base interactions energy: -449.500
where: short stacking energy: -217.697
Base-Backbone interact. energy: -1.002
local terms energy: -297.994397
where:
bonds (distance) C4'-P energy: -59.407
bonds (distance) P-C4' energy: -71.504
flat angles C4'-P-C4' energy: -83.830
flat angles P-C4'-P energy: -54.670
tors. eta vs tors. theta energy: -28.583
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: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -611.396080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.396080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.396080 (E_RNA)
where:
Base-Base interactions energy: -323.996
where: short stacking energy: -156.959
Base-Backbone interact. energy: 3.409
local terms energy: -290.808752
where:
bonds (distance) C4'-P energy: -80.908
bonds (distance) P-C4' energy: -92.842
flat angles C4'-P-C4' energy: -64.088
flat angles P-C4'-P energy: -42.668
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1570.753935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.753935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.753935 (E_RNA)
where:
Base-Base interactions energy: -1097.838
where: short stacking energy: -459.766
Base-Backbone interact. energy: -1.289
local terms energy: -471.627369
where:
bonds (distance) C4'-P energy: -81.020
bonds (distance) P-C4' energy: -97.411
flat angles C4'-P-C4' energy: -94.399
flat angles P-C4'-P energy: -71.697
tors. eta vs tors. theta energy: -127.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1540.541436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.541436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.541436 (E_RNA)
where:
Base-Base interactions energy: -1065.669
where: short stacking energy: -453.490
Base-Backbone interact. energy: 0.286
local terms energy: -475.159215
where:
bonds (distance) C4'-P energy: -90.229
bonds (distance) P-C4' energy: -91.412
flat angles C4'-P-C4' energy: -107.020
flat angles P-C4'-P energy: -63.049
tors. eta vs tors. theta energy: -123.449
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: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1418.383256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.383256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.383256 (E_RNA)
where:
Base-Base interactions energy: -954.267
where: short stacking energy: -449.069
Base-Backbone interact. energy: 1.374
local terms energy: -465.490764
where:
bonds (distance) C4'-P energy: -76.001
bonds (distance) P-C4' energy: -85.874
flat angles C4'-P-C4' energy: -102.497
flat angles P-C4'-P energy: -71.881
tors. eta vs tors. theta energy: -129.238
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: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1340.128048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.128048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.128048 (E_RNA)
where:
Base-Base interactions energy: -901.329
where: short stacking energy: -418.107
Base-Backbone interact. energy: -0.575
local terms energy: -438.223942
where:
bonds (distance) C4'-P energy: -93.662
bonds (distance) P-C4' energy: -77.226
flat angles C4'-P-C4' energy: -103.061
flat angles P-C4'-P energy: -52.855
tors. eta vs tors. theta energy: -111.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1363.786720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.786720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.786720 (E_RNA)
where:
Base-Base interactions energy: -920.205
where: short stacking energy: -425.680
Base-Backbone interact. energy: 0.615
local terms energy: -444.196934
where:
bonds (distance) C4'-P energy: -72.462
bonds (distance) P-C4' energy: -89.385
flat angles C4'-P-C4' energy: -100.416
flat angles P-C4'-P energy: -58.187
tors. eta vs tors. theta energy: -123.747
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: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1263.571329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.571329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.571329 (E_RNA)
where:
Base-Base interactions energy: -890.029
where: short stacking energy: -371.148
Base-Backbone interact. energy: 2.625
local terms energy: -376.167838
where:
bonds (distance) C4'-P energy: -68.807
bonds (distance) P-C4' energy: -82.983
flat angles C4'-P-C4' energy: -95.148
flat angles P-C4'-P energy: -49.413
tors. eta vs tors. theta energy: -79.817
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: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1045.442907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.442907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.442907 (E_RNA)
where:
Base-Base interactions energy: -691.281
where: short stacking energy: -302.854
Base-Backbone interact. energy: -0.540
local terms energy: -353.621560
where:
bonds (distance) C4'-P energy: -87.726
bonds (distance) P-C4' energy: -74.139
flat angles C4'-P-C4' energy: -76.457
flat angles P-C4'-P energy: -38.294
tors. eta vs tors. theta energy: -77.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -910.012826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.012826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.012826 (E_RNA)
where:
Base-Base interactions energy: -600.133
where: short stacking energy: -272.709
Base-Backbone interact. energy: -0.559
local terms energy: -309.320722
where:
bonds (distance) C4'-P energy: -71.326
bonds (distance) P-C4' energy: -80.502
flat angles C4'-P-C4' energy: -69.636
flat angles P-C4'-P energy: -41.633
tors. eta vs tors. theta energy: -46.223
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: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -742.434757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.434757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.434757 (E_RNA)
where:
Base-Base interactions energy: -490.194
where: short stacking energy: -218.536
Base-Backbone interact. energy: -2.023
local terms energy: -250.218148
where:
bonds (distance) C4'-P energy: -68.943
bonds (distance) P-C4' energy: -62.250
flat angles C4'-P-C4' energy: -62.130
flat angles P-C4'-P energy: -44.359
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: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -595.655858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.655858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.655858 (E_RNA)
where:
Base-Base interactions energy: -339.968
where: short stacking energy: -188.438
Base-Backbone interact. energy: -2.726
local terms energy: -252.962266
where:
bonds (distance) C4'-P energy: -71.422
bonds (distance) P-C4' energy: -77.250
flat angles C4'-P-C4' energy: -64.826
flat angles P-C4'-P energy: -28.387
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1573.489882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.489882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.489882 (E_RNA)
where:
Base-Base interactions energy: -1088.336
where: short stacking energy: -468.135
Base-Backbone interact. energy: 0.093
local terms energy: -485.246809
where:
bonds (distance) C4'-P energy: -93.207
bonds (distance) P-C4' energy: -97.630
flat angles C4'-P-C4' energy: -103.591
flat angles P-C4'-P energy: -60.419
tors. eta vs tors. theta energy: -130.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1547.029042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.029042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.029042 (E_RNA)
where:
Base-Base interactions energy: -1073.563
where: short stacking energy: -464.371
Base-Backbone interact. energy: -3.958
local terms energy: -469.507687
where:
bonds (distance) C4'-P energy: -79.748
bonds (distance) P-C4' energy: -85.105
flat angles C4'-P-C4' energy: -114.096
flat angles P-C4'-P energy: -64.155
tors. eta vs tors. theta energy: -126.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1396.734020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.734020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.734020 (E_RNA)
where:
Base-Base interactions energy: -921.390
where: short stacking energy: -415.129
Base-Backbone interact. energy: -0.728
local terms energy: -474.616237
where:
bonds (distance) C4'-P energy: -66.406
bonds (distance) P-C4' energy: -104.831
flat angles C4'-P-C4' energy: -108.854
flat angles P-C4'-P energy: -69.365
tors. eta vs tors. theta energy: -125.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1379.578244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.578244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.578244 (E_RNA)
where:
Base-Base interactions energy: -920.677
where: short stacking energy: -423.181
Base-Backbone interact. energy: -1.724
local terms energy: -457.177273
where:
bonds (distance) C4'-P energy: -80.548
bonds (distance) P-C4' energy: -86.419
flat angles C4'-P-C4' energy: -102.967
flat angles P-C4'-P energy: -64.589
tors. eta vs tors. theta energy: -122.655
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: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1290.566770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.566770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.566770 (E_RNA)
where:
Base-Base interactions energy: -861.211
where: short stacking energy: -400.305
Base-Backbone interact. energy: -1.249
local terms energy: -428.107052
where:
bonds (distance) C4'-P energy: -70.198
bonds (distance) P-C4' energy: -95.592
flat angles C4'-P-C4' energy: -103.456
flat angles P-C4'-P energy: -59.271
tors. eta vs tors. theta energy: -99.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1249.603538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.603538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.603538 (E_RNA)
where:
Base-Base interactions energy: -856.884
where: short stacking energy: -360.787
Base-Backbone interact. energy: -1.749
local terms energy: -390.970832
where:
bonds (distance) C4'-P energy: -88.271
bonds (distance) P-C4' energy: -70.603
flat angles C4'-P-C4' energy: -89.346
flat angles P-C4'-P energy: -51.425
tors. eta vs tors. theta energy: -91.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -988.566483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.566483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.566483 (E_RNA)
where:
Base-Base interactions energy: -648.858
where: short stacking energy: -290.413
Base-Backbone interact. energy: -0.069
local terms energy: -339.639645
where:
bonds (distance) C4'-P energy: -73.046
bonds (distance) P-C4' energy: -83.527
flat angles C4'-P-C4' energy: -72.649
flat angles P-C4'-P energy: -46.289
tors. eta vs tors. theta energy: -64.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -875.768343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.768343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.768343 (E_RNA)
where:
Base-Base interactions energy: -579.666
where: short stacking energy: -270.929
Base-Backbone interact. energy: 2.647
local terms energy: -298.749561
where:
bonds (distance) C4'-P energy: -74.826
bonds (distance) P-C4' energy: -71.331
flat angles C4'-P-C4' energy: -43.861
flat angles P-C4'-P energy: -48.785
tors. eta vs tors. theta energy: -59.947
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: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -776.343391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.343391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.343391 (E_RNA)
where:
Base-Base interactions energy: -459.852
where: short stacking energy: -214.260
Base-Backbone interact. energy: -3.661
local terms energy: -312.829718
where:
bonds (distance) C4'-P energy: -81.269
bonds (distance) P-C4' energy: -84.524
flat angles C4'-P-C4' energy: -73.854
flat angles P-C4'-P energy: -44.835
tors. eta vs tors. theta energy: -28.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -598.025784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.025784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.025784 (E_RNA)
where:
Base-Base interactions energy: -335.754
where: short stacking energy: -178.006
Base-Backbone interact. energy: 2.619
local terms energy: -264.890704
where:
bonds (distance) C4'-P energy: -61.968
bonds (distance) P-C4' energy: -81.703
flat angles C4'-P-C4' energy: -55.066
flat angles P-C4'-P energy: -46.280
tors. eta vs tors. theta energy: -19.873
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: 352
Temperature: 0.900000
Total energy: -1574.198269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.198269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.198269 (E_RNA)
where:
Base-Base interactions energy: -1104.330
where: short stacking energy: -460.734
Base-Backbone interact. energy: 0.388
local terms energy: -470.256276
where:
bonds (distance) C4'-P energy: -82.892
bonds (distance) P-C4' energy: -98.947
flat angles C4'-P-C4' energy: -98.780
flat angles P-C4'-P energy: -58.334
tors. eta vs tors. theta energy: -131.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1543.865845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.865845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.865845 (E_RNA)
where:
Base-Base interactions energy: -1098.464
where: short stacking energy: -471.336
Base-Backbone interact. energy: 0.285
local terms energy: -445.686621
where:
bonds (distance) C4'-P energy: -78.059
bonds (distance) P-C4' energy: -80.836
flat angles C4'-P-C4' energy: -104.453
flat angles P-C4'-P energy: -60.523
tors. eta vs tors. theta energy: -121.816
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: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1404.106819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.106819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.106819 (E_RNA)
where:
Base-Base interactions energy: -925.645
where: short stacking energy: -441.442
Base-Backbone interact. energy: -2.382
local terms energy: -476.079733
where:
bonds (distance) C4'-P energy: -93.014
bonds (distance) P-C4' energy: -82.548
flat angles C4'-P-C4' energy: -98.792
flat angles P-C4'-P energy: -73.744
tors. eta vs tors. theta energy: -127.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1409.981360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.981360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.981360 (E_RNA)
where:
Base-Base interactions energy: -958.279
where: short stacking energy: -435.488
Base-Backbone interact. energy: -0.577
local terms energy: -451.125425
where:
bonds (distance) C4'-P energy: -78.675
bonds (distance) P-C4' energy: -90.511
flat angles C4'-P-C4' energy: -93.036
flat angles P-C4'-P energy: -63.001
tors. eta vs tors. theta energy: -125.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1348.051811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.051811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.051811 (E_RNA)
where:
Base-Base interactions energy: -921.056
where: short stacking energy: -399.594
Base-Backbone interact. energy: -1.595
local terms energy: -425.400561
where:
bonds (distance) C4'-P energy: -71.798
bonds (distance) P-C4' energy: -84.808
flat angles C4'-P-C4' energy: -98.339
flat angles P-C4'-P energy: -47.425
tors. eta vs tors. theta energy: -123.030
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: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1243.917196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.917196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.917196 (E_RNA)
where:
Base-Base interactions energy: -858.196
where: short stacking energy: -361.779
Base-Backbone interact. energy: -1.690
local terms energy: -384.032011
where:
bonds (distance) C4'-P energy: -69.368
bonds (distance) P-C4' energy: -74.740
flat angles C4'-P-C4' energy: -94.392
flat angles P-C4'-P energy: -59.141
tors. eta vs tors. theta energy: -86.391
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: 352
Temperature: 1.200000
Total energy: -956.901824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.901824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.901824 (E_RNA)
where:
Base-Base interactions energy: -625.999
where: short stacking energy: -276.558
Base-Backbone interact. energy: -1.476
local terms energy: -329.426911
where:
bonds (distance) C4'-P energy: -78.244
bonds (distance) P-C4' energy: -84.011
flat angles C4'-P-C4' energy: -80.099
flat angles P-C4'-P energy: -35.739
tors. eta vs tors. theta energy: -51.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -904.954745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.954745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.954745 (E_RNA)
where:
Base-Base interactions energy: -576.415
where: short stacking energy: -273.373
Base-Backbone interact. energy: 0.778
local terms energy: -329.317988
where:
bonds (distance) C4'-P energy: -80.058
bonds (distance) P-C4' energy: -80.391
flat angles C4'-P-C4' energy: -82.872
flat angles P-C4'-P energy: -46.816
tors. eta vs tors. theta energy: -39.181
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: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -731.088651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.088651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.088651 (E_RNA)
where:
Base-Base interactions energy: -444.421
where: short stacking energy: -213.361
Base-Backbone interact. energy: -1.576
local terms energy: -285.091063
where:
bonds (distance) C4'-P energy: -73.022
bonds (distance) P-C4' energy: -73.196
flat angles C4'-P-C4' energy: -79.319
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -33.587
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: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -530.323930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.323930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.323930 (E_RNA)
where:
Base-Base interactions energy: -272.130
where: short stacking energy: -156.033
Base-Backbone interact. energy: 3.026
local terms energy: -261.219406
where:
bonds (distance) C4'-P energy: -68.383
bonds (distance) P-C4' energy: -80.450
flat angles C4'-P-C4' energy: -72.174
flat angles P-C4'-P energy: -42.317
tors. eta vs tors. theta energy: 2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1580.671377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.671377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.671377 (E_RNA)
where:
Base-Base interactions energy: -1103.793
where: short stacking energy: -458.627
Base-Backbone interact. energy: 0.105
local terms energy: -476.984101
where:
bonds (distance) C4'-P energy: -95.312
bonds (distance) P-C4' energy: -96.104
flat angles C4'-P-C4' energy: -90.013
flat angles P-C4'-P energy: -66.819
tors. eta vs tors. theta energy: -128.735
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: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1539.711333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.711333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.711333 (E_RNA)
where:
Base-Base interactions energy: -1089.293
where: short stacking energy: -455.799
Base-Backbone interact. energy: -1.837
local terms energy: -448.580898
where:
bonds (distance) C4'-P energy: -83.290
bonds (distance) P-C4' energy: -90.040
flat angles C4'-P-C4' energy: -96.640
flat angles P-C4'-P energy: -55.162
tors. eta vs tors. theta energy: -123.449
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: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1411.521109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.521109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.521109 (E_RNA)
where:
Base-Base interactions energy: -937.138
where: short stacking energy: -444.199
Base-Backbone interact. energy: -2.142
local terms energy: -472.240384
where:
bonds (distance) C4'-P energy: -90.340
bonds (distance) P-C4' energy: -89.710
flat angles C4'-P-C4' energy: -99.921
flat angles P-C4'-P energy: -66.564
tors. eta vs tors. theta energy: -125.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1391.624676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.624676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.624676 (E_RNA)
where:
Base-Base interactions energy: -956.399
where: short stacking energy: -420.452
Base-Backbone interact. energy: -0.262
local terms energy: -434.963386
where:
bonds (distance) C4'-P energy: -82.903
bonds (distance) P-C4' energy: -73.925
flat angles C4'-P-C4' energy: -91.931
flat angles P-C4'-P energy: -58.814
tors. eta vs tors. theta energy: -127.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1326.942612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.942612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.942612 (E_RNA)
where:
Base-Base interactions energy: -905.458
where: short stacking energy: -401.800
Base-Backbone interact. energy: 0.929
local terms energy: -422.413420
where:
bonds (distance) C4'-P energy: -85.075
bonds (distance) P-C4' energy: -87.892
flat angles C4'-P-C4' energy: -92.741
flat angles P-C4'-P energy: -49.182
tors. eta vs tors. theta energy: -107.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1286.612853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.612853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.612853 (E_RNA)
where:
Base-Base interactions energy: -904.794
where: short stacking energy: -388.844
Base-Backbone interact. energy: -2.630
local terms energy: -379.188962
where:
bonds (distance) C4'-P energy: -68.611
bonds (distance) P-C4' energy: -74.308
flat angles C4'-P-C4' energy: -86.076
flat angles P-C4'-P energy: -52.311
tors. eta vs tors. theta energy: -97.883
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: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -973.593818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.593818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.593818 (E_RNA)
where:
Base-Base interactions energy: -627.995
where: short stacking energy: -274.798
Base-Backbone interact. energy: 4.319
local terms energy: -349.917253
where:
bonds (distance) C4'-P energy: -77.962
bonds (distance) P-C4' energy: -74.309
flat angles C4'-P-C4' energy: -85.489
flat angles P-C4'-P energy: -57.165
tors. eta vs tors. theta energy: -54.992
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: 353
Temperature: 1.250000
Total energy: -883.732942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.732942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.732942 (E_RNA)
where:
Base-Base interactions energy: -554.810
where: short stacking energy: -275.441
Base-Backbone interact. energy: -1.070
local terms energy: -327.853882
where:
bonds (distance) C4'-P energy: -60.829
bonds (distance) P-C4' energy: -71.459
flat angles C4'-P-C4' energy: -81.100
flat angles P-C4'-P energy: -61.600
tors. eta vs tors. theta energy: -52.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -774.153252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.153252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.153252 (E_RNA)
where:
Base-Base interactions energy: -468.882
where: short stacking energy: -237.570
Base-Backbone interact. energy: -0.109
local terms energy: -305.161478
where:
bonds (distance) C4'-P energy: -64.630
bonds (distance) P-C4' energy: -71.903
flat angles C4'-P-C4' energy: -91.701
flat angles P-C4'-P energy: -43.871
tors. eta vs tors. theta energy: -33.056
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: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -623.119323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.119323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.119323 (E_RNA)
where:
Base-Base interactions energy: -368.817
where: short stacking energy: -180.709
Base-Backbone interact. energy: -1.941
local terms energy: -252.361173
where:
bonds (distance) C4'-P energy: -70.698
bonds (distance) P-C4' energy: -63.872
flat angles C4'-P-C4' energy: -64.855
flat angles P-C4'-P energy: -36.774
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1572.921738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.921738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.921738 (E_RNA)
where:
Base-Base interactions energy: -1116.870
where: short stacking energy: -469.998
Base-Backbone interact. energy: -0.302
local terms energy: -455.749570
where:
bonds (distance) C4'-P energy: -78.371
bonds (distance) P-C4' energy: -85.735
flat angles C4'-P-C4' energy: -102.007
flat angles P-C4'-P energy: -60.762
tors. eta vs tors. theta energy: -128.876
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: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1532.193074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.193074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.193074 (E_RNA)
where:
Base-Base interactions energy: -1082.492
where: short stacking energy: -457.276
Base-Backbone interact. energy: 0.597
local terms energy: -450.298430
where:
bonds (distance) C4'-P energy: -77.345
bonds (distance) P-C4' energy: -96.710
flat angles C4'-P-C4' energy: -92.390
flat angles P-C4'-P energy: -58.855
tors. eta vs tors. theta energy: -124.998
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: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1424.571301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.571301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.571301 (E_RNA)
where:
Base-Base interactions energy: -951.154
where: short stacking energy: -453.538
Base-Backbone interact. energy: -0.604
local terms energy: -472.813396
where:
bonds (distance) C4'-P energy: -85.899
bonds (distance) P-C4' energy: -93.772
flat angles C4'-P-C4' energy: -101.260
flat angles P-C4'-P energy: -67.783
tors. eta vs tors. theta energy: -124.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1392.398294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.398294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.398294 (E_RNA)
where:
Base-Base interactions energy: -955.472
where: short stacking energy: -428.701
Base-Backbone interact. energy: -2.584
local terms energy: -434.341439
where:
bonds (distance) C4'-P energy: -74.219
bonds (distance) P-C4' energy: -83.421
flat angles C4'-P-C4' energy: -96.514
flat angles P-C4'-P energy: -58.032
tors. eta vs tors. theta energy: -122.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1325.821054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.821054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.821054 (E_RNA)
where:
Base-Base interactions energy: -887.167
where: short stacking energy: -351.740
Base-Backbone interact. energy: -0.602
local terms energy: -438.051911
where:
bonds (distance) C4'-P energy: -91.407
bonds (distance) P-C4' energy: -86.200
flat angles C4'-P-C4' energy: -95.970
flat angles P-C4'-P energy: -64.566
tors. eta vs tors. theta energy: -99.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1260.666436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.666436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.666436 (E_RNA)
where:
Base-Base interactions energy: -870.088
where: short stacking energy: -362.365
Base-Backbone interact. energy: 1.826
local terms energy: -392.405302
where:
bonds (distance) C4'-P energy: -94.851
bonds (distance) P-C4' energy: -69.358
flat angles C4'-P-C4' energy: -78.134
flat angles P-C4'-P energy: -58.003
tors. eta vs tors. theta energy: -92.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -978.637936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.637936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.637936 (E_RNA)
where:
Base-Base interactions energy: -627.393
where: short stacking energy: -284.881
Base-Backbone interact. energy: -0.857
local terms energy: -350.388431
where:
bonds (distance) C4'-P energy: -72.498
bonds (distance) P-C4' energy: -78.271
flat angles C4'-P-C4' energy: -86.115
flat angles P-C4'-P energy: -56.588
tors. eta vs tors. theta energy: -56.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -882.708443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.708443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.708443 (E_RNA)
where:
Base-Base interactions energy: -565.651
where: short stacking energy: -243.888
Base-Backbone interact. energy: 2.785
local terms energy: -319.842416
where:
bonds (distance) C4'-P energy: -76.145
bonds (distance) P-C4' energy: -70.533
flat angles C4'-P-C4' energy: -82.291
flat angles P-C4'-P energy: -42.406
tors. eta vs tors. theta energy: -48.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -754.772588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.772588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.772588 (E_RNA)
where:
Base-Base interactions energy: -451.505
where: short stacking energy: -226.559
Base-Backbone interact. energy: 2.048
local terms energy: -305.314687
where:
bonds (distance) C4'-P energy: -72.983
bonds (distance) P-C4' energy: -86.486
flat angles C4'-P-C4' energy: -66.410
flat angles P-C4'-P energy: -45.334
tors. eta vs tors. theta energy: -34.102
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: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -617.284040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.284040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.284040 (E_RNA)
where:
Base-Base interactions energy: -345.399
where: short stacking energy: -161.879
Base-Backbone interact. energy: -0.723
local terms energy: -271.162055
where:
bonds (distance) C4'-P energy: -57.719
bonds (distance) P-C4' energy: -73.878
flat angles C4'-P-C4' energy: -85.334
flat angles P-C4'-P energy: -51.940
tors. eta vs tors. theta energy: -2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1568.350105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.350105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.350105 (E_RNA)
where:
Base-Base interactions energy: -1111.970
where: short stacking energy: -473.213
Base-Backbone interact. energy: -1.783
local terms energy: -454.597506
where:
bonds (distance) C4'-P energy: -87.275
bonds (distance) P-C4' energy: -88.352
flat angles C4'-P-C4' energy: -102.717
flat angles P-C4'-P energy: -53.735
tors. eta vs tors. theta energy: -122.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1546.066188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.066188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.066188 (E_RNA)
where:
Base-Base interactions energy: -1087.846
where: short stacking energy: -445.119
Base-Backbone interact. energy: -0.676
local terms energy: -457.544581
where:
bonds (distance) C4'-P energy: -75.251
bonds (distance) P-C4' energy: -94.463
flat angles C4'-P-C4' energy: -96.946
flat angles P-C4'-P energy: -67.554
tors. eta vs tors. theta energy: -123.330
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: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1424.810785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.810785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.810785 (E_RNA)
where:
Base-Base interactions energy: -962.895
where: short stacking energy: -439.265
Base-Backbone interact. energy: -1.955
local terms energy: -459.961402
where:
bonds (distance) C4'-P energy: -81.806
bonds (distance) P-C4' energy: -82.310
flat angles C4'-P-C4' energy: -103.674
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -124.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1399.038075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.038075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.038075 (E_RNA)
where:
Base-Base interactions energy: -965.497
where: short stacking energy: -438.593
Base-Backbone interact. energy: 0.781
local terms energy: -434.322580
where:
bonds (distance) C4'-P energy: -76.679
bonds (distance) P-C4' energy: -77.670
flat angles C4'-P-C4' energy: -98.283
flat angles P-C4'-P energy: -63.837
tors. eta vs tors. theta energy: -117.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1346.098658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.098658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.098658 (E_RNA)
where:
Base-Base interactions energy: -926.527
where: short stacking energy: -384.901
Base-Backbone interact. energy: -1.501
local terms energy: -418.070511
where:
bonds (distance) C4'-P energy: -77.988
bonds (distance) P-C4' energy: -76.691
flat angles C4'-P-C4' energy: -96.570
flat angles P-C4'-P energy: -58.283
tors. eta vs tors. theta energy: -108.538
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: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1227.885466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.885466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.885466 (E_RNA)
where:
Base-Base interactions energy: -826.701
where: short stacking energy: -352.812
Base-Backbone interact. energy: -0.932
local terms energy: -400.251844
where:
bonds (distance) C4'-P energy: -74.105
bonds (distance) P-C4' energy: -85.970
flat angles C4'-P-C4' energy: -95.903
flat angles P-C4'-P energy: -50.923
tors. eta vs tors. theta energy: -93.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -984.634195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.634195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.634195 (E_RNA)
where:
Base-Base interactions energy: -616.044
where: short stacking energy: -289.139
Base-Backbone interact. energy: -2.144
local terms energy: -366.445731
where:
bonds (distance) C4'-P energy: -74.035
bonds (distance) P-C4' energy: -78.339
flat angles C4'-P-C4' energy: -100.288
flat angles P-C4'-P energy: -48.080
tors. eta vs tors. theta energy: -65.704
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: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -923.550591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.550591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.550591 (E_RNA)
where:
Base-Base interactions energy: -589.030
where: short stacking energy: -272.288
Base-Backbone interact. energy: 1.385
local terms energy: -335.906122
where:
bonds (distance) C4'-P energy: -63.564
bonds (distance) P-C4' energy: -91.645
flat angles C4'-P-C4' energy: -73.709
flat angles P-C4'-P energy: -48.817
tors. eta vs tors. theta energy: -58.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -791.956792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.956792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.956792 (E_RNA)
where:
Base-Base interactions energy: -467.597
where: short stacking energy: -230.161
Base-Backbone interact. energy: -2.238
local terms energy: -322.121135
where:
bonds (distance) C4'-P energy: -78.130
bonds (distance) P-C4' energy: -71.156
flat angles C4'-P-C4' energy: -90.384
flat angles P-C4'-P energy: -43.722
tors. eta vs tors. theta energy: -38.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -554.796796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.796796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.796796 (E_RNA)
where:
Base-Base interactions energy: -286.590
where: short stacking energy: -140.370
Base-Backbone interact. energy: -0.607
local terms energy: -267.599781
where:
bonds (distance) C4'-P energy: -80.442
bonds (distance) P-C4' energy: -79.461
flat angles C4'-P-C4' energy: -55.477
flat angles P-C4'-P energy: -48.246
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: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1595.159336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.159336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.159336 (E_RNA)
where:
Base-Base interactions energy: -1133.531
where: short stacking energy: -467.725
Base-Backbone interact. energy: 1.200
local terms energy: -462.828805
where:
bonds (distance) C4'-P energy: -85.701
bonds (distance) P-C4' energy: -92.896
flat angles C4'-P-C4' energy: -111.867
flat angles P-C4'-P energy: -47.204
tors. eta vs tors. theta energy: -125.160
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: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1531.327574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.327574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.327574 (E_RNA)
where:
Base-Base interactions energy: -1059.748
where: short stacking energy: -455.207
Base-Backbone interact. energy: -1.726
local terms energy: -469.853255
where:
bonds (distance) C4'-P energy: -86.345
bonds (distance) P-C4' energy: -82.174
flat angles C4'-P-C4' energy: -106.420
flat angles P-C4'-P energy: -72.402
tors. eta vs tors. theta energy: -122.513
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: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1370.717685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.717685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.717685 (E_RNA)
where:
Base-Base interactions energy: -942.476
where: short stacking energy: -406.818
Base-Backbone interact. energy: -1.314
local terms energy: -426.927224
where:
bonds (distance) C4'-P energy: -73.332
bonds (distance) P-C4' energy: -92.881
flat angles C4'-P-C4' energy: -92.780
flat angles P-C4'-P energy: -57.448
tors. eta vs tors. theta energy: -110.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1409.643091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.643091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.643091 (E_RNA)
where:
Base-Base interactions energy: -991.688
where: short stacking energy: -413.039
Base-Backbone interact. energy: -1.408
local terms energy: -416.546606
where:
bonds (distance) C4'-P energy: -83.812
bonds (distance) P-C4' energy: -83.933
flat angles C4'-P-C4' energy: -90.771
flat angles P-C4'-P energy: -46.621
tors. eta vs tors. theta energy: -111.410
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: 356
Temperature: 1.100000
Total energy: -1362.040942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.040942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.040942 (E_RNA)
where:
Base-Base interactions energy: -922.605
where: short stacking energy: -389.366
Base-Backbone interact. energy: -3.010
local terms energy: -436.425646
where:
bonds (distance) C4'-P energy: -86.651
bonds (distance) P-C4' energy: -84.965
flat angles C4'-P-C4' energy: -92.213
flat angles P-C4'-P energy: -55.974
tors. eta vs tors. theta energy: -116.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1245.900642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.900642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.900642 (E_RNA)
where:
Base-Base interactions energy: -848.788
where: short stacking energy: -339.704
Base-Backbone interact. energy: -3.862
local terms energy: -393.250739
where:
bonds (distance) C4'-P energy: -74.671
bonds (distance) P-C4' energy: -78.687
flat angles C4'-P-C4' energy: -90.539
flat angles P-C4'-P energy: -56.648
tors. eta vs tors. theta energy: -92.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -950.040057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.040057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.040057 (E_RNA)
where:
Base-Base interactions energy: -602.788
where: short stacking energy: -280.996
Base-Backbone interact. energy: 1.828
local terms energy: -349.080312
where:
bonds (distance) C4'-P energy: -74.629
bonds (distance) P-C4' energy: -92.651
flat angles C4'-P-C4' energy: -80.281
flat angles P-C4'-P energy: -38.561
tors. eta vs tors. theta energy: -62.958
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: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -960.666470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.666470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.666470 (E_RNA)
where:
Base-Base interactions energy: -622.638
where: short stacking energy: -269.573
Base-Backbone interact. energy: -2.688
local terms energy: -335.340422
where:
bonds (distance) C4'-P energy: -75.116
bonds (distance) P-C4' energy: -64.029
flat angles C4'-P-C4' energy: -85.899
flat angles P-C4'-P energy: -57.256
tors. eta vs tors. theta energy: -53.041
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: 356
Temperature: 1.300000
Total energy: -803.176911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.176911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.176911 (E_RNA)
where:
Base-Base interactions energy: -498.528
where: short stacking energy: -211.302
Base-Backbone interact. energy: -0.684
local terms energy: -303.965494
where:
bonds (distance) C4'-P energy: -80.472
bonds (distance) P-C4' energy: -65.043
flat angles C4'-P-C4' energy: -70.867
flat angles P-C4'-P energy: -58.983
tors. eta vs tors. theta energy: -28.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -571.164031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.164031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.164031 (E_RNA)
where:
Base-Base interactions energy: -309.708
where: short stacking energy: -161.379
Base-Backbone interact. energy: -1.066
local terms energy: -260.390038
where:
bonds (distance) C4'-P energy: -66.957
bonds (distance) P-C4' energy: -74.555
flat angles C4'-P-C4' energy: -48.068
flat angles P-C4'-P energy: -50.117
tors. eta vs tors. theta energy: -20.693
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: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1580.531182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.531182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.531182 (E_RNA)
where:
Base-Base interactions energy: -1110.599
where: short stacking energy: -478.728
Base-Backbone interact. energy: -3.706
local terms energy: -466.226174
where:
bonds (distance) C4'-P energy: -81.288
bonds (distance) P-C4' energy: -91.120
flat angles C4'-P-C4' energy: -110.941
flat angles P-C4'-P energy: -60.751
tors. eta vs tors. theta energy: -122.126
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: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1526.366774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.366774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.366774 (E_RNA)
where:
Base-Base interactions energy: -1069.269
where: short stacking energy: -442.097
Base-Backbone interact. energy: -0.823
local terms energy: -456.274708
where:
bonds (distance) C4'-P energy: -87.255
bonds (distance) P-C4' energy: -90.538
flat angles C4'-P-C4' energy: -95.390
flat angles P-C4'-P energy: -56.378
tors. eta vs tors. theta energy: -126.713
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: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1370.551938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.551938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.551938 (E_RNA)
where:
Base-Base interactions energy: -928.617
where: short stacking energy: -422.309
Base-Backbone interact. energy: -1.886
local terms energy: -440.048797
where:
bonds (distance) C4'-P energy: -82.374
bonds (distance) P-C4' energy: -93.331
flat angles C4'-P-C4' energy: -99.539
flat angles P-C4'-P energy: -67.142
tors. eta vs tors. theta energy: -97.663
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: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1411.800307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.800307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.800307 (E_RNA)
where:
Base-Base interactions energy: -974.870
where: short stacking energy: -423.307
Base-Backbone interact. energy: -0.651
local terms energy: -436.279080
where:
bonds (distance) C4'-P energy: -73.676
bonds (distance) P-C4' energy: -85.441
flat angles C4'-P-C4' energy: -98.235
flat angles P-C4'-P energy: -66.090
tors. eta vs tors. theta energy: -112.838
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: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1371.999665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.999665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.999665 (E_RNA)
where:
Base-Base interactions energy: -925.484
where: short stacking energy: -399.279
Base-Backbone interact. energy: -2.984
local terms energy: -443.532047
where:
bonds (distance) C4'-P energy: -91.098
bonds (distance) P-C4' energy: -83.890
flat angles C4'-P-C4' energy: -95.933
flat angles P-C4'-P energy: -60.487
tors. eta vs tors. theta energy: -112.125
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: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1206.694495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.694495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.694495 (E_RNA)
where:
Base-Base interactions energy: -818.754
where: short stacking energy: -341.381
Base-Backbone interact. energy: 6.989
local terms energy: -394.929779
where:
bonds (distance) C4'-P energy: -75.700
bonds (distance) P-C4' energy: -84.693
flat angles C4'-P-C4' energy: -86.707
flat angles P-C4'-P energy: -56.287
tors. eta vs tors. theta energy: -91.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -981.527037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.527037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.527037 (E_RNA)
where:
Base-Base interactions energy: -655.405
where: short stacking energy: -297.613
Base-Backbone interact. energy: -1.073
local terms energy: -325.049125
where:
bonds (distance) C4'-P energy: -71.134
bonds (distance) P-C4' energy: -74.535
flat angles C4'-P-C4' energy: -79.818
flat angles P-C4'-P energy: -51.816
tors. eta vs tors. theta energy: -47.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -962.708461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.708461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.708461 (E_RNA)
where:
Base-Base interactions energy: -655.453
where: short stacking energy: -310.291
Base-Backbone interact. energy: 0.655
local terms energy: -307.910100
where:
bonds (distance) C4'-P energy: -81.022
bonds (distance) P-C4' energy: -61.485
flat angles C4'-P-C4' energy: -67.696
flat angles P-C4'-P energy: -38.799
tors. eta vs tors. theta energy: -58.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -769.648377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.648377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.648377 (E_RNA)
where:
Base-Base interactions energy: -475.502
where: short stacking energy: -233.281
Base-Backbone interact. energy: 6.260
local terms energy: -300.406107
where:
bonds (distance) C4'-P energy: -82.215
bonds (distance) P-C4' energy: -64.254
flat angles C4'-P-C4' energy: -76.567
flat angles P-C4'-P energy: -49.065
tors. eta vs tors. theta energy: -28.305
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: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -629.126591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.126591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.126591 (E_RNA)
where:
Base-Base interactions energy: -382.790
where: short stacking energy: -179.705
Base-Backbone interact. energy: 7.965
local terms energy: -254.301334
where:
bonds (distance) C4'-P energy: -65.543
bonds (distance) P-C4' energy: -72.894
flat angles C4'-P-C4' energy: -65.292
flat angles P-C4'-P energy: -36.857
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1591.007372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.007372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.007372 (E_RNA)
where:
Base-Base interactions energy: -1118.896
where: short stacking energy: -463.013
Base-Backbone interact. energy: -1.417
local terms energy: -470.694201
where:
bonds (distance) C4'-P energy: -85.919
bonds (distance) P-C4' energy: -88.414
flat angles C4'-P-C4' energy: -102.296
flat angles P-C4'-P energy: -70.619
tors. eta vs tors. theta energy: -123.446
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: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1544.056908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.056908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.056908 (E_RNA)
where:
Base-Base interactions energy: -1077.455
where: short stacking energy: -454.956
Base-Backbone interact. energy: -1.244
local terms energy: -465.358458
where:
bonds (distance) C4'-P energy: -86.931
bonds (distance) P-C4' energy: -92.967
flat angles C4'-P-C4' energy: -103.975
flat angles P-C4'-P energy: -59.022
tors. eta vs tors. theta energy: -122.463
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: 358
Temperature: 1.000000
Total energy: -1431.278180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.278180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.278180 (E_RNA)
where:
Base-Base interactions energy: -959.783
where: short stacking energy: -411.876
Base-Backbone interact. energy: -0.405
local terms energy: -471.090203
where:
bonds (distance) C4'-P energy: -85.913
bonds (distance) P-C4' energy: -97.559
flat angles C4'-P-C4' energy: -104.365
flat angles P-C4'-P energy: -68.015
tors. eta vs tors. theta energy: -115.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1330.921428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.921428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.921428 (E_RNA)
where:
Base-Base interactions energy: -921.987
where: short stacking energy: -413.804
Base-Backbone interact. energy: 1.420
local terms energy: -410.353749
where:
bonds (distance) C4'-P energy: -81.902
bonds (distance) P-C4' energy: -82.176
flat angles C4'-P-C4' energy: -91.139
flat angles P-C4'-P energy: -61.416
tors. eta vs tors. theta energy: -93.721
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: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1333.869160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.869160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.869160 (E_RNA)
where:
Base-Base interactions energy: -905.117
where: short stacking energy: -409.515
Base-Backbone interact. energy: -0.945
local terms energy: -427.807604
where:
bonds (distance) C4'-P energy: -85.601
bonds (distance) P-C4' energy: -92.895
flat angles C4'-P-C4' energy: -95.541
flat angles P-C4'-P energy: -47.562
tors. eta vs tors. theta energy: -106.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1209.014964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.014964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.014964 (E_RNA)
where:
Base-Base interactions energy: -793.921
where: short stacking energy: -334.903
Base-Backbone interact. energy: -0.154
local terms energy: -414.940189
where:
bonds (distance) C4'-P energy: -82.069
bonds (distance) P-C4' energy: -80.520
flat angles C4'-P-C4' energy: -101.377
flat angles P-C4'-P energy: -48.163
tors. eta vs tors. theta energy: -102.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -960.261019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.261019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.261019 (E_RNA)
where:
Base-Base interactions energy: -619.840
where: short stacking energy: -272.606
Base-Backbone interact. energy: 0.635
local terms energy: -341.055869
where:
bonds (distance) C4'-P energy: -80.249
bonds (distance) P-C4' energy: -82.485
flat angles C4'-P-C4' energy: -72.582
flat angles P-C4'-P energy: -51.421
tors. eta vs tors. theta energy: -54.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -920.457218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.457218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.457218 (E_RNA)
where:
Base-Base interactions energy: -577.044
where: short stacking energy: -254.435
Base-Backbone interact. energy: -2.421
local terms energy: -340.991525
where:
bonds (distance) C4'-P energy: -82.176
bonds (distance) P-C4' energy: -71.258
flat angles C4'-P-C4' energy: -75.808
flat angles P-C4'-P energy: -55.034
tors. eta vs tors. theta energy: -56.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -706.596379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.596379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.596379 (E_RNA)
where:
Base-Base interactions energy: -409.568
where: short stacking energy: -218.278
Base-Backbone interact. energy: 0.742
local terms energy: -297.770168
where:
bonds (distance) C4'-P energy: -71.346
bonds (distance) P-C4' energy: -81.686
flat angles C4'-P-C4' energy: -77.684
flat angles P-C4'-P energy: -45.126
tors. eta vs tors. theta energy: -21.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -736.688846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.688846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.688846 (E_RNA)
where:
Base-Base interactions energy: -452.999
where: short stacking energy: -208.454
Base-Backbone interact. energy: 4.725
local terms energy: -288.414701
where:
bonds (distance) C4'-P energy: -77.393
bonds (distance) P-C4' energy: -81.793
flat angles C4'-P-C4' energy: -78.522
flat angles P-C4'-P energy: -33.414
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1564.012995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.012995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.012995 (E_RNA)
where:
Base-Base interactions energy: -1090.659
where: short stacking energy: -432.970
Base-Backbone interact. energy: -2.594
local terms energy: -470.760275
where:
bonds (distance) C4'-P energy: -98.255
bonds (distance) P-C4' energy: -84.158
flat angles C4'-P-C4' energy: -95.117
flat angles P-C4'-P energy: -61.006
tors. eta vs tors. theta energy: -132.224
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: 2, replica: 10
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1527.042717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.042717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.042717 (E_RNA)
where:
Base-Base interactions energy: -1051.588
where: short stacking energy: -457.894
Base-Backbone interact. energy: -0.489
local terms energy: -474.965705
where:
bonds (distance) C4'-P energy: -94.484
bonds (distance) P-C4' energy: -95.529
flat angles C4'-P-C4' energy: -103.166
flat angles P-C4'-P energy: -57.610
tors. eta vs tors. theta energy: -124.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1448.657414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.657414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.657414 (E_RNA)
where:
Base-Base interactions energy: -1001.710
where: short stacking energy: -433.920
Base-Backbone interact. energy: -4.314
local terms energy: -442.633521
where:
bonds (distance) C4'-P energy: -83.335
bonds (distance) P-C4' energy: -98.317
flat angles C4'-P-C4' energy: -91.552
flat angles P-C4'-P energy: -55.033
tors. eta vs tors. theta energy: -114.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1364.038344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.038344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.038344 (E_RNA)
where:
Base-Base interactions energy: -930.418
where: short stacking energy: -408.826
Base-Backbone interact. energy: -3.462
local terms energy: -430.157694
where:
bonds (distance) C4'-P energy: -81.935
bonds (distance) P-C4' energy: -79.762
flat angles C4'-P-C4' energy: -90.236
flat angles P-C4'-P energy: -67.923
tors. eta vs tors. theta energy: -110.302
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: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1284.651462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.651462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.651462 (E_RNA)
where:
Base-Base interactions energy: -896.978
where: short stacking energy: -412.210
Base-Backbone interact. energy: -2.967
local terms energy: -384.706953
where:
bonds (distance) C4'-P energy: -68.337
bonds (distance) P-C4' energy: -69.821
flat angles C4'-P-C4' energy: -86.310
flat angles P-C4'-P energy: -62.428
tors. eta vs tors. theta energy: -97.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1240.515550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.515550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.515550 (E_RNA)
where:
Base-Base interactions energy: -846.764
where: short stacking energy: -370.708
Base-Backbone interact. energy: -1.088
local terms energy: -392.664026
where:
bonds (distance) C4'-P energy: -79.367
bonds (distance) P-C4' energy: -78.912
flat angles C4'-P-C4' energy: -86.290
flat angles P-C4'-P energy: -54.506
tors. eta vs tors. theta energy: -93.589
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: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1003.043986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.043986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.043986 (E_RNA)
where:
Base-Base interactions energy: -669.168
where: short stacking energy: -313.606
Base-Backbone interact. energy: 1.447
local terms energy: -335.323229
where:
bonds (distance) C4'-P energy: -75.105
bonds (distance) P-C4' energy: -66.266
flat angles C4'-P-C4' energy: -71.943
flat angles P-C4'-P energy: -51.150
tors. eta vs tors. theta energy: -70.859
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: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -870.626533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.626533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.626533 (E_RNA)
where:
Base-Base interactions energy: -558.701
where: short stacking energy: -238.269
Base-Backbone interact. energy: 7.243
local terms energy: -319.169076
where:
bonds (distance) C4'-P energy: -81.941
bonds (distance) P-C4' energy: -79.364
flat angles C4'-P-C4' energy: -80.104
flat angles P-C4'-P energy: -37.371
tors. eta vs tors. theta energy: -40.389
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: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -658.782689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.782689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.782689 (E_RNA)
where:
Base-Base interactions energy: -400.822
where: short stacking energy: -190.299
Base-Backbone interact. energy: 2.758
local terms energy: -260.717938
where:
bonds (distance) C4'-P energy: -73.034
bonds (distance) P-C4' energy: -78.562
flat angles C4'-P-C4' energy: -63.180
flat angles P-C4'-P energy: -35.381
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: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -670.489605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.489605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.489605 (E_RNA)
where:
Base-Base interactions energy: -428.363
where: short stacking energy: -207.582
Base-Backbone interact. energy: 0.195
local terms energy: -242.321107
where:
bonds (distance) C4'-P energy: -55.697
bonds (distance) P-C4' energy: -73.621
flat angles C4'-P-C4' energy: -64.722
flat angles P-C4'-P energy: -38.365
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: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1545.684246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.684246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.684246 (E_RNA)
where:
Base-Base interactions energy: -1075.557
where: short stacking energy: -446.368
Base-Backbone interact. energy: -2.340
local terms energy: -467.787088
where:
bonds (distance) C4'-P energy: -91.778
bonds (distance) P-C4' energy: -86.212
flat angles C4'-P-C4' energy: -98.717
flat angles P-C4'-P energy: -56.555
tors. eta vs tors. theta energy: -134.524
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: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1537.460793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.460793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.460793 (E_RNA)
where:
Base-Base interactions energy: -1080.346
where: short stacking energy: -438.854
Base-Backbone interact. energy: 0.435
local terms energy: -457.549844
where:
bonds (distance) C4'-P energy: -75.743
bonds (distance) P-C4' energy: -87.326
flat angles C4'-P-C4' energy: -97.987
flat angles P-C4'-P energy: -68.120
tors. eta vs tors. theta energy: -128.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1440.343666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.343666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.343666 (E_RNA)
where:
Base-Base interactions energy: -1009.230
where: short stacking energy: -423.209
Base-Backbone interact. energy: -1.444
local terms energy: -429.670101
where:
bonds (distance) C4'-P energy: -83.138
bonds (distance) P-C4' energy: -80.873
flat angles C4'-P-C4' energy: -78.021
flat angles P-C4'-P energy: -64.122
tors. eta vs tors. theta energy: -123.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1397.148914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.148914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.148914 (E_RNA)
where:
Base-Base interactions energy: -927.659
where: short stacking energy: -427.185
Base-Backbone interact. energy: 1.661
local terms energy: -471.150423
where:
bonds (distance) C4'-P energy: -84.350
bonds (distance) P-C4' energy: -94.853
flat angles C4'-P-C4' energy: -100.084
flat angles P-C4'-P energy: -71.047
tors. eta vs tors. theta energy: -120.816
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: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1259.571349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.571349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.571349 (E_RNA)
where:
Base-Base interactions energy: -865.419
where: short stacking energy: -368.930
Base-Backbone interact. energy: 0.626
local terms energy: -394.778578
where:
bonds (distance) C4'-P energy: -81.998
bonds (distance) P-C4' energy: -94.602
flat angles C4'-P-C4' energy: -85.592
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: -86.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1218.321089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.321089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.321089 (E_RNA)
where:
Base-Base interactions energy: -838.573
where: short stacking energy: -374.487
Base-Backbone interact. energy: 1.914
local terms energy: -381.661260
where:
bonds (distance) C4'-P energy: -69.702
bonds (distance) P-C4' energy: -83.959
flat angles C4'-P-C4' energy: -88.791
flat angles P-C4'-P energy: -42.727
tors. eta vs tors. theta energy: -96.482
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: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1008.825531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.825531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.825531 (E_RNA)
where:
Base-Base interactions energy: -661.390
where: short stacking energy: -307.983
Base-Backbone interact. energy: 0.712
local terms energy: -348.147139
where:
bonds (distance) C4'-P energy: -70.114
bonds (distance) P-C4' energy: -86.684
flat angles C4'-P-C4' energy: -80.605
flat angles P-C4'-P energy: -47.085
tors. eta vs tors. theta energy: -63.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -923.330473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.330473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.330473 (E_RNA)
where:
Base-Base interactions energy: -568.918
where: short stacking energy: -254.104
Base-Backbone interact. energy: 0.899
local terms energy: -355.312045
where:
bonds (distance) C4'-P energy: -76.585
bonds (distance) P-C4' energy: -81.036
flat angles C4'-P-C4' energy: -87.531
flat angles P-C4'-P energy: -51.285
tors. eta vs tors. theta energy: -58.876
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: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -751.835765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.835765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.835765 (E_RNA)
where:
Base-Base interactions energy: -470.015
where: short stacking energy: -223.203
Base-Backbone interact. energy: 0.730
local terms energy: -282.551560
where:
bonds (distance) C4'-P energy: -64.259
bonds (distance) P-C4' energy: -67.364
flat angles C4'-P-C4' energy: -80.978
flat angles P-C4'-P energy: -42.133
tors. eta vs tors. theta energy: -27.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -625.229711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.229711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.229711 (E_RNA)
where:
Base-Base interactions energy: -364.100
where: short stacking energy: -183.130
Base-Backbone interact. energy: -1.290
local terms energy: -259.840337
where:
bonds (distance) C4'-P energy: -73.527
bonds (distance) P-C4' energy: -72.994
flat angles C4'-P-C4' energy: -69.715
flat angles P-C4'-P energy: -34.373
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1561.511014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.511014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.511014 (E_RNA)
where:
Base-Base interactions energy: -1091.495
where: short stacking energy: -465.690
Base-Backbone interact. energy: -1.892
local terms energy: -468.123848
where:
bonds (distance) C4'-P energy: -87.855
bonds (distance) P-C4' energy: -91.623
flat angles C4'-P-C4' energy: -105.863
flat angles P-C4'-P energy: -63.590
tors. eta vs tors. theta energy: -119.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1532.261480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.261480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.261480 (E_RNA)
where:
Base-Base interactions energy: -1073.325
where: short stacking energy: -447.306
Base-Backbone interact. energy: -3.543
local terms energy: -455.393901
where:
bonds (distance) C4'-P energy: -87.028
bonds (distance) P-C4' energy: -78.978
flat angles C4'-P-C4' energy: -102.425
flat angles P-C4'-P energy: -69.573
tors. eta vs tors. theta energy: -117.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1477.571077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.571077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.571077 (E_RNA)
where:
Base-Base interactions energy: -1015.885
where: short stacking energy: -443.256
Base-Backbone interact. energy: -1.142
local terms energy: -460.544386
where:
bonds (distance) C4'-P energy: -82.232
bonds (distance) P-C4' energy: -87.941
flat angles C4'-P-C4' energy: -99.631
flat angles P-C4'-P energy: -67.197
tors. eta vs tors. theta energy: -123.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1368.716485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.716485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.716485 (E_RNA)
where:
Base-Base interactions energy: -923.398
where: short stacking energy: -398.561
Base-Backbone interact. energy: -1.940
local terms energy: -443.379212
where:
bonds (distance) C4'-P energy: -92.872
bonds (distance) P-C4' energy: -90.907
flat angles C4'-P-C4' energy: -89.368
flat angles P-C4'-P energy: -58.910
tors. eta vs tors. theta energy: -111.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1285.547716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.547716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.547716 (E_RNA)
where:
Base-Base interactions energy: -862.819
where: short stacking energy: -374.835
Base-Backbone interact. energy: -2.293
local terms energy: -420.435761
where:
bonds (distance) C4'-P energy: -78.068
bonds (distance) P-C4' energy: -95.238
flat angles C4'-P-C4' energy: -96.560
flat angles P-C4'-P energy: -59.112
tors. eta vs tors. theta energy: -91.458
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: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1167.813035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.813035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.813035 (E_RNA)
where:
Base-Base interactions energy: -766.764
where: short stacking energy: -333.346
Base-Backbone interact. energy: -0.742
local terms energy: -400.306885
where:
bonds (distance) C4'-P energy: -82.254
bonds (distance) P-C4' energy: -91.375
flat angles C4'-P-C4' energy: -81.777
flat angles P-C4'-P energy: -59.946
tors. eta vs tors. theta energy: -84.955
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: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1024.442713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.442713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.442713 (E_RNA)
where:
Base-Base interactions energy: -650.713
where: short stacking energy: -297.820
Base-Backbone interact. energy: 3.976
local terms energy: -377.706096
where:
bonds (distance) C4'-P energy: -77.410
bonds (distance) P-C4' energy: -82.998
flat angles C4'-P-C4' energy: -81.357
flat angles P-C4'-P energy: -67.217
tors. eta vs tors. theta energy: -68.724
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: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -864.145325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.145325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.145325 (E_RNA)
where:
Base-Base interactions energy: -551.877
where: short stacking energy: -235.387
Base-Backbone interact. energy: -1.398
local terms energy: -310.870489
where:
bonds (distance) C4'-P energy: -78.204
bonds (distance) P-C4' energy: -89.566
flat angles C4'-P-C4' energy: -71.863
flat angles P-C4'-P energy: -36.233
tors. eta vs tors. theta energy: -35.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -726.150120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.150120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.150120 (E_RNA)
where:
Base-Base interactions energy: -430.349
where: short stacking energy: -214.302
Base-Backbone interact. energy: 0.260
local terms energy: -296.061151
where:
bonds (distance) C4'-P energy: -62.961
bonds (distance) P-C4' energy: -88.260
flat angles C4'-P-C4' energy: -80.601
flat angles P-C4'-P energy: -37.565
tors. eta vs tors. theta energy: -26.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -629.412734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.412734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.412734 (E_RNA)
where:
Base-Base interactions energy: -366.552
where: short stacking energy: -179.508
Base-Backbone interact. energy: -3.778
local terms energy: -259.081921
where:
bonds (distance) C4'-P energy: -71.343
bonds (distance) P-C4' energy: -77.904
flat angles C4'-P-C4' energy: -56.870
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: -12.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1551.134250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.134250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.134250 (E_RNA)
where:
Base-Base interactions energy: -1071.544
where: short stacking energy: -457.067
Base-Backbone interact. energy: 2.930
local terms energy: -482.520108
where:
bonds (distance) C4'-P energy: -89.708
bonds (distance) P-C4' energy: -101.180
flat angles C4'-P-C4' energy: -98.726
flat angles P-C4'-P energy: -66.067
tors. eta vs tors. theta energy: -126.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1528.661755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.661755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.661755 (E_RNA)
where:
Base-Base interactions energy: -1059.716
where: short stacking energy: -424.154
Base-Backbone interact. energy: -1.471
local terms energy: -467.474556
where:
bonds (distance) C4'-P energy: -86.275
bonds (distance) P-C4' energy: -92.923
flat angles C4'-P-C4' energy: -100.117
flat angles P-C4'-P energy: -65.682
tors. eta vs tors. theta energy: -122.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1443.432240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.432240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.432240 (E_RNA)
where:
Base-Base interactions energy: -1014.268
where: short stacking energy: -426.831
Base-Backbone interact. energy: 0.155
local terms energy: -429.318801
where:
bonds (distance) C4'-P energy: -89.017
bonds (distance) P-C4' energy: -76.723
flat angles C4'-P-C4' energy: -87.045
flat angles P-C4'-P energy: -60.262
tors. eta vs tors. theta energy: -116.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1390.683471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.683471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.683471 (E_RNA)
where:
Base-Base interactions energy: -929.726
where: short stacking energy: -421.306
Base-Backbone interact. energy: 0.617
local terms energy: -461.574268
where:
bonds (distance) C4'-P energy: -93.743
bonds (distance) P-C4' energy: -85.649
flat angles C4'-P-C4' energy: -100.307
flat angles P-C4'-P energy: -68.995
tors. eta vs tors. theta energy: -112.881
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: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1271.535709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.535709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.535709 (E_RNA)
where:
Base-Base interactions energy: -869.564
where: short stacking energy: -358.398
Base-Backbone interact. energy: -0.377
local terms energy: -401.594844
where:
bonds (distance) C4'-P energy: -78.451
bonds (distance) P-C4' energy: -81.042
flat angles C4'-P-C4' energy: -88.267
flat angles P-C4'-P energy: -59.045
tors. eta vs tors. theta energy: -94.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1173.229104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.229104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.229104 (E_RNA)
where:
Base-Base interactions energy: -784.580
where: short stacking energy: -332.429
Base-Backbone interact. energy: 0.246
local terms energy: -388.895359
where:
bonds (distance) C4'-P energy: -86.623
bonds (distance) P-C4' energy: -71.992
flat angles C4'-P-C4' energy: -93.403
flat angles P-C4'-P energy: -66.824
tors. eta vs tors. theta energy: -70.054
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: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1025.164358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.164358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.164358 (E_RNA)
where:
Base-Base interactions energy: -657.178
where: short stacking energy: -306.753
Base-Backbone interact. energy: 0.943
local terms energy: -368.929598
where:
bonds (distance) C4'-P energy: -77.125
bonds (distance) P-C4' energy: -83.014
flat angles C4'-P-C4' energy: -83.955
flat angles P-C4'-P energy: -60.107
tors. eta vs tors. theta energy: -64.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -817.573186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.573186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.573186 (E_RNA)
where:
Base-Base interactions energy: -496.668
where: short stacking energy: -227.085
Base-Backbone interact. energy: 4.916
local terms energy: -325.821430
where:
bonds (distance) C4'-P energy: -75.930
bonds (distance) P-C4' energy: -85.517
flat angles C4'-P-C4' energy: -81.755
flat angles P-C4'-P energy: -47.394
tors. eta vs tors. theta energy: -35.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -710.366174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.366174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.366174 (E_RNA)
where:
Base-Base interactions energy: -435.847
where: short stacking energy: -217.280
Base-Backbone interact. energy: -2.380
local terms energy: -272.139998
where:
bonds (distance) C4'-P energy: -72.016
bonds (distance) P-C4' energy: -74.772
flat angles C4'-P-C4' energy: -51.818
flat angles P-C4'-P energy: -54.984
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -625.962210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.962210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.962210 (E_RNA)
where:
Base-Base interactions energy: -365.222
where: short stacking energy: -169.749
Base-Backbone interact. energy: -1.661
local terms energy: -259.079035
where:
bonds (distance) C4'-P energy: -64.576
bonds (distance) P-C4' energy: -77.604
flat angles C4'-P-C4' energy: -76.805
flat angles P-C4'-P energy: -24.759
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: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1589.982433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.982433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.982433 (E_RNA)
where:
Base-Base interactions energy: -1112.563
where: short stacking energy: -465.294
Base-Backbone interact. energy: 4.105
local terms energy: -481.523851
where:
bonds (distance) C4'-P energy: -92.944
bonds (distance) P-C4' energy: -97.360
flat angles C4'-P-C4' energy: -104.599
flat angles P-C4'-P energy: -61.984
tors. eta vs tors. theta energy: -124.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1507.870276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.870276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.870276 (E_RNA)
where:
Base-Base interactions energy: -1032.058
where: short stacking energy: -439.721
Base-Backbone interact. energy: -2.185
local terms energy: -473.627344
where:
bonds (distance) C4'-P energy: -91.353
bonds (distance) P-C4' energy: -100.065
flat angles C4'-P-C4' energy: -86.404
flat angles P-C4'-P energy: -66.098
tors. eta vs tors. theta energy: -129.708
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: 10
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1471.210513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.210513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.210513 (E_RNA)
where:
Base-Base interactions energy: -1026.105
where: short stacking energy: -436.061
Base-Backbone interact. energy: -2.604
local terms energy: -442.501179
where:
bonds (distance) C4'-P energy: -70.488
bonds (distance) P-C4' energy: -81.563
flat angles C4'-P-C4' energy: -102.489
flat angles P-C4'-P energy: -70.888
tors. eta vs tors. theta energy: -117.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1382.958682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.958682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.958682 (E_RNA)
where:
Base-Base interactions energy: -932.497
where: short stacking energy: -444.028
Base-Backbone interact. energy: -1.156
local terms energy: -449.305670
where:
bonds (distance) C4'-P energy: -78.953
bonds (distance) P-C4' energy: -82.839
flat angles C4'-P-C4' energy: -103.425
flat angles P-C4'-P energy: -69.392
tors. eta vs tors. theta energy: -114.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1304.377659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.377659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.377659 (E_RNA)
where:
Base-Base interactions energy: -881.376
where: short stacking energy: -407.993
Base-Backbone interact. energy: -3.967
local terms energy: -419.034989
where:
bonds (distance) C4'-P energy: -79.043
bonds (distance) P-C4' energy: -83.525
flat angles C4'-P-C4' energy: -79.826
flat angles P-C4'-P energy: -64.936
tors. eta vs tors. theta energy: -111.705
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: 363
Temperature: 1.150000
Total energy: -1193.451691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.451691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.451691 (E_RNA)
where:
Base-Base interactions energy: -800.030
where: short stacking energy: -362.203
Base-Backbone interact. energy: 0.869
local terms energy: -394.290343
where:
bonds (distance) C4'-P energy: -71.425
bonds (distance) P-C4' energy: -87.919
flat angles C4'-P-C4' energy: -85.358
flat angles P-C4'-P energy: -61.566
tors. eta vs tors. theta energy: -88.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1080.463601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.463601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.463601 (E_RNA)
where:
Base-Base interactions energy: -714.603
where: short stacking energy: -330.593
Base-Backbone interact. energy: -1.666
local terms energy: -364.194237
where:
bonds (distance) C4'-P energy: -61.594
bonds (distance) P-C4' energy: -81.413
flat angles C4'-P-C4' energy: -95.593
flat angles P-C4'-P energy: -50.109
tors. eta vs tors. theta energy: -75.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -843.900435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.900435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.900435 (E_RNA)
where:
Base-Base interactions energy: -538.877
where: short stacking energy: -234.196
Base-Backbone interact. energy: -0.834
local terms energy: -304.188888
where:
bonds (distance) C4'-P energy: -70.617
bonds (distance) P-C4' energy: -81.530
flat angles C4'-P-C4' energy: -77.404
flat angles P-C4'-P energy: -46.076
tors. eta vs tors. theta energy: -28.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -707.513422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.513422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.513422 (E_RNA)
where:
Base-Base interactions energy: -421.448
where: short stacking energy: -198.824
Base-Backbone interact. energy: 1.852
local terms energy: -287.917845
where:
bonds (distance) C4'-P energy: -70.353
bonds (distance) P-C4' energy: -77.908
flat angles C4'-P-C4' energy: -64.870
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -34.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -598.499694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.499694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.499694 (E_RNA)
where:
Base-Base interactions energy: -363.404
where: short stacking energy: -158.721
Base-Backbone interact. energy: -1.157
local terms energy: -233.938085
where:
bonds (distance) C4'-P energy: -67.266
bonds (distance) P-C4' energy: -82.553
flat angles C4'-P-C4' energy: -53.682
flat angles P-C4'-P energy: -28.737
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1531.189194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.189194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.189194 (E_RNA)
where:
Base-Base interactions energy: -1040.264
where: short stacking energy: -447.694
Base-Backbone interact. energy: 0.279
local terms energy: -491.204367
where:
bonds (distance) C4'-P energy: -89.467
bonds (distance) P-C4' energy: -104.853
flat angles C4'-P-C4' energy: -101.665
flat angles P-C4'-P energy: -75.560
tors. eta vs tors. theta energy: -119.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1544.098264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.098264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.098264 (E_RNA)
where:
Base-Base interactions energy: -1080.094
where: short stacking energy: -467.638
Base-Backbone interact. energy: -1.390
local terms energy: -462.614807
where:
bonds (distance) C4'-P energy: -89.552
bonds (distance) P-C4' energy: -75.227
flat angles C4'-P-C4' energy: -106.941
flat angles P-C4'-P energy: -67.583
tors. eta vs tors. theta energy: -123.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1509.894720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.894720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.894720 (E_RNA)
where:
Base-Base interactions energy: -1046.668
where: short stacking energy: -431.520
Base-Backbone interact. energy: -6.081
local terms energy: -457.145673
where:
bonds (distance) C4'-P energy: -88.132
bonds (distance) P-C4' energy: -92.581
flat angles C4'-P-C4' energy: -95.253
flat angles P-C4'-P energy: -62.055
tors. eta vs tors. theta energy: -119.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1422.275663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.275663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.275663 (E_RNA)
where:
Base-Base interactions energy: -961.458
where: short stacking energy: -451.606
Base-Backbone interact. energy: -0.634
local terms energy: -460.184383
where:
bonds (distance) C4'-P energy: -93.016
bonds (distance) P-C4' energy: -77.792
flat angles C4'-P-C4' energy: -102.574
flat angles P-C4'-P energy: -55.553
tors. eta vs tors. theta energy: -131.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1307.456878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.456878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.456878 (E_RNA)
where:
Base-Base interactions energy: -894.674
where: short stacking energy: -406.154
Base-Backbone interact. energy: 5.206
local terms energy: -417.988354
where:
bonds (distance) C4'-P energy: -91.657
bonds (distance) P-C4' energy: -78.917
flat angles C4'-P-C4' energy: -90.696
flat angles P-C4'-P energy: -57.142
tors. eta vs tors. theta energy: -99.576
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: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1214.743372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.743372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.743372 (E_RNA)
where:
Base-Base interactions energy: -805.322
where: short stacking energy: -358.095
Base-Backbone interact. energy: -1.196
local terms energy: -408.225952
where:
bonds (distance) C4'-P energy: -85.325
bonds (distance) P-C4' energy: -79.943
flat angles C4'-P-C4' energy: -87.345
flat angles P-C4'-P energy: -65.433
tors. eta vs tors. theta energy: -90.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1050.118325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.118325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.118325 (E_RNA)
where:
Base-Base interactions energy: -692.482
where: short stacking energy: -318.304
Base-Backbone interact. energy: -0.288
local terms energy: -357.348216
where:
bonds (distance) C4'-P energy: -72.584
bonds (distance) P-C4' energy: -81.724
flat angles C4'-P-C4' energy: -75.600
flat angles P-C4'-P energy: -56.849
tors. eta vs tors. theta energy: -70.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -867.741467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.741467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.741467 (E_RNA)
where:
Base-Base interactions energy: -533.946
where: short stacking energy: -238.679
Base-Backbone interact. energy: 0.823
local terms energy: -334.618781
where:
bonds (distance) C4'-P energy: -77.667
bonds (distance) P-C4' energy: -78.102
flat angles C4'-P-C4' energy: -85.529
flat angles P-C4'-P energy: -48.968
tors. eta vs tors. theta energy: -44.353
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: 9, replica: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -719.273805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.273805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.273805 (E_RNA)
where:
Base-Base interactions energy: -446.326
where: short stacking energy: -204.480
Base-Backbone interact. energy: -2.391
local terms energy: -270.557442
where:
bonds (distance) C4'-P energy: -68.138
bonds (distance) P-C4' energy: -60.036
flat angles C4'-P-C4' energy: -68.991
flat angles P-C4'-P energy: -49.387
tors. eta vs tors. theta energy: -24.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -690.513174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.513174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.513174 (E_RNA)
where:
Base-Base interactions energy: -381.486
where: short stacking energy: -202.927
Base-Backbone interact. energy: 3.887
local terms energy: -312.913482
where:
bonds (distance) C4'-P energy: -73.080
bonds (distance) P-C4' energy: -86.870
flat angles C4'-P-C4' energy: -72.256
flat angles P-C4'-P energy: -48.754
tors. eta vs tors. theta energy: -31.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1534.536050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.536050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.536050 (E_RNA)
where:
Base-Base interactions energy: -1052.807
where: short stacking energy: -455.589
Base-Backbone interact. energy: -1.023
local terms energy: -480.706139
where:
bonds (distance) C4'-P energy: -89.740
bonds (distance) P-C4' energy: -88.804
flat angles C4'-P-C4' energy: -107.838
flat angles P-C4'-P energy: -66.361
tors. eta vs tors. theta energy: -127.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1516.686482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.686482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.686482 (E_RNA)
where:
Base-Base interactions energy: -1037.020
where: short stacking energy: -437.550
Base-Backbone interact. energy: -1.508
local terms energy: -478.159127
where:
bonds (distance) C4'-P energy: -83.037
bonds (distance) P-C4' energy: -97.748
flat angles C4'-P-C4' energy: -104.327
flat angles P-C4'-P energy: -69.447
tors. eta vs tors. theta energy: -123.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1492.293486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.293486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.293486 (E_RNA)
where:
Base-Base interactions energy: -1031.178
where: short stacking energy: -431.910
Base-Backbone interact. energy: -0.518
local terms energy: -460.597057
where:
bonds (distance) C4'-P energy: -82.870
bonds (distance) P-C4' energy: -83.121
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -70.592
tors. eta vs tors. theta energy: -116.817
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: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1386.547336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.547336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.547336 (E_RNA)
where:
Base-Base interactions energy: -937.286
where: short stacking energy: -409.158
Base-Backbone interact. energy: -1.196
local terms energy: -448.064960
where:
bonds (distance) C4'-P energy: -85.124
bonds (distance) P-C4' energy: -88.763
flat angles C4'-P-C4' energy: -100.157
flat angles P-C4'-P energy: -66.433
tors. eta vs tors. theta energy: -107.589
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: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1346.010085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.010085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.010085 (E_RNA)
where:
Base-Base interactions energy: -915.430
where: short stacking energy: -405.124
Base-Backbone interact. energy: 3.905
local terms energy: -434.485513
where:
bonds (distance) C4'-P energy: -80.345
bonds (distance) P-C4' energy: -82.093
flat angles C4'-P-C4' energy: -94.295
flat angles P-C4'-P energy: -60.745
tors. eta vs tors. theta energy: -117.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1194.020324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.020324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.020324 (E_RNA)
where:
Base-Base interactions energy: -801.805
where: short stacking energy: -344.735
Base-Backbone interact. energy: 0.058
local terms energy: -392.274126
where:
bonds (distance) C4'-P energy: -77.999
bonds (distance) P-C4' energy: -90.641
flat angles C4'-P-C4' energy: -88.636
flat angles P-C4'-P energy: -67.031
tors. eta vs tors. theta energy: -67.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -981.050389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.050389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.050389 (E_RNA)
where:
Base-Base interactions energy: -645.431
where: short stacking energy: -290.125
Base-Backbone interact. energy: 0.264
local terms energy: -335.883148
where:
bonds (distance) C4'-P energy: -60.881
bonds (distance) P-C4' energy: -75.572
flat angles C4'-P-C4' energy: -79.928
flat angles P-C4'-P energy: -54.346
tors. eta vs tors. theta energy: -65.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -871.839368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.839368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.839368 (E_RNA)
where:
Base-Base interactions energy: -549.488
where: short stacking energy: -265.174
Base-Backbone interact. energy: 1.288
local terms energy: -323.639807
where:
bonds (distance) C4'-P energy: -72.948
bonds (distance) P-C4' energy: -84.402
flat angles C4'-P-C4' energy: -75.993
flat angles P-C4'-P energy: -45.117
tors. eta vs tors. theta energy: -45.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -704.454952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.454952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.454952 (E_RNA)
where:
Base-Base interactions energy: -417.527
where: short stacking energy: -196.784
Base-Backbone interact. energy: -1.563
local terms energy: -285.364656
where:
bonds (distance) C4'-P energy: -64.321
bonds (distance) P-C4' energy: -84.617
flat angles C4'-P-C4' energy: -79.435
flat angles P-C4'-P energy: -34.190
tors. eta vs tors. theta energy: -22.801
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: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -633.534603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.534603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.534603 (E_RNA)
where:
Base-Base interactions energy: -340.604
where: short stacking energy: -186.837
Base-Backbone interact. energy: -0.504
local terms energy: -292.427064
where:
bonds (distance) C4'-P energy: -73.501
bonds (distance) P-C4' energy: -75.755
flat angles C4'-P-C4' energy: -75.862
flat angles P-C4'-P energy: -50.928
tors. eta vs tors. theta energy: -16.381
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: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1544.157699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.157699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.157699 (E_RNA)
where:
Base-Base interactions energy: -1093.430
where: short stacking energy: -438.279
Base-Backbone interact. energy: 1.936
local terms energy: -452.663239
where:
bonds (distance) C4'-P energy: -93.661
bonds (distance) P-C4' energy: -78.420
flat angles C4'-P-C4' energy: -92.381
flat angles P-C4'-P energy: -65.067
tors. eta vs tors. theta energy: -123.134
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: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1491.502409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.502409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.502409 (E_RNA)
where:
Base-Base interactions energy: -1010.545
where: short stacking energy: -441.233
Base-Backbone interact. energy: -1.189
local terms energy: -479.767987
where:
bonds (distance) C4'-P energy: -86.281
bonds (distance) P-C4' energy: -98.297
flat angles C4'-P-C4' energy: -100.603
flat angles P-C4'-P energy: -71.214
tors. eta vs tors. theta energy: -123.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1481.164204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.164204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.164204 (E_RNA)
where:
Base-Base interactions energy: -1058.261
where: short stacking energy: -433.650
Base-Backbone interact. energy: -0.870
local terms energy: -422.033083
where:
bonds (distance) C4'-P energy: -85.973
bonds (distance) P-C4' energy: -83.715
flat angles C4'-P-C4' energy: -86.262
flat angles P-C4'-P energy: -53.660
tors. eta vs tors. theta energy: -112.424
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: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1364.846760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.846760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.846760 (E_RNA)
where:
Base-Base interactions energy: -918.612
where: short stacking energy: -417.725
Base-Backbone interact. energy: -2.238
local terms energy: -443.996152
where:
bonds (distance) C4'-P energy: -72.447
bonds (distance) P-C4' energy: -90.874
flat angles C4'-P-C4' energy: -98.499
flat angles P-C4'-P energy: -64.666
tors. eta vs tors. theta energy: -117.510
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: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1327.075420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.075420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.075420 (E_RNA)
where:
Base-Base interactions energy: -897.665
where: short stacking energy: -380.225
Base-Backbone interact. energy: -1.090
local terms energy: -428.320657
where:
bonds (distance) C4'-P energy: -84.749
bonds (distance) P-C4' energy: -72.409
flat angles C4'-P-C4' energy: -91.853
flat angles P-C4'-P energy: -57.345
tors. eta vs tors. theta energy: -121.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1252.141951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.141951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.141951 (E_RNA)
where:
Base-Base interactions energy: -835.983
where: short stacking energy: -356.193
Base-Backbone interact. energy: -1.583
local terms energy: -414.575467
where:
bonds (distance) C4'-P energy: -79.012
bonds (distance) P-C4' energy: -79.873
flat angles C4'-P-C4' energy: -95.917
flat angles P-C4'-P energy: -70.938
tors. eta vs tors. theta energy: -88.837
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: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -990.737757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.737757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.737757 (E_RNA)
where:
Base-Base interactions energy: -636.223
where: short stacking energy: -284.863
Base-Backbone interact. energy: -0.416
local terms energy: -354.098808
where:
bonds (distance) C4'-P energy: -75.696
bonds (distance) P-C4' energy: -88.007
flat angles C4'-P-C4' energy: -77.880
flat angles P-C4'-P energy: -51.787
tors. eta vs tors. theta energy: -60.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -937.972426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.972426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.972426 (E_RNA)
where:
Base-Base interactions energy: -610.106
where: short stacking energy: -287.134
Base-Backbone interact. energy: -0.940
local terms energy: -326.927267
where:
bonds (distance) C4'-P energy: -64.740
bonds (distance) P-C4' energy: -90.226
flat angles C4'-P-C4' energy: -79.290
flat angles P-C4'-P energy: -38.763
tors. eta vs tors. theta energy: -53.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -675.736082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.736082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.736082 (E_RNA)
where:
Base-Base interactions energy: -391.448
where: short stacking energy: -214.027
Base-Backbone interact. energy: 7.034
local terms energy: -291.322462
where:
bonds (distance) C4'-P energy: -71.355
bonds (distance) P-C4' energy: -74.047
flat angles C4'-P-C4' energy: -70.987
flat angles P-C4'-P energy: -47.942
tors. eta vs tors. theta energy: -26.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -687.438809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.438809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.438809 (E_RNA)
where:
Base-Base interactions energy: -406.811
where: short stacking energy: -202.864
Base-Backbone interact. energy: 0.668
local terms energy: -281.296106
where:
bonds (distance) C4'-P energy: -74.779
bonds (distance) P-C4' energy: -73.298
flat angles C4'-P-C4' energy: -80.773
flat angles P-C4'-P energy: -35.504
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: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1557.842483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.842483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.842483 (E_RNA)
where:
Base-Base interactions energy: -1086.743
where: short stacking energy: -456.535
Base-Backbone interact. energy: -2.624
local terms energy: -468.475647
where:
bonds (distance) C4'-P energy: -84.374
bonds (distance) P-C4' energy: -93.635
flat angles C4'-P-C4' energy: -91.926
flat angles P-C4'-P energy: -73.405
tors. eta vs tors. theta energy: -125.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1528.448818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.448818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.448818 (E_RNA)
where:
Base-Base interactions energy: -1045.844
where: short stacking energy: -444.586
Base-Backbone interact. energy: -2.792
local terms energy: -479.813080
where:
bonds (distance) C4'-P energy: -96.608
bonds (distance) P-C4' energy: -88.378
flat angles C4'-P-C4' energy: -105.883
flat angles P-C4'-P energy: -65.051
tors. eta vs tors. theta energy: -123.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1450.294371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.294371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.294371 (E_RNA)
where:
Base-Base interactions energy: -1007.618
where: short stacking energy: -426.873
Base-Backbone interact. energy: -4.714
local terms energy: -437.962516
where:
bonds (distance) C4'-P energy: -85.370
bonds (distance) P-C4' energy: -102.466
flat angles C4'-P-C4' energy: -86.249
flat angles P-C4'-P energy: -55.811
tors. eta vs tors. theta energy: -108.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1416.713480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.713480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.713480 (E_RNA)
where:
Base-Base interactions energy: -960.959
where: short stacking energy: -434.830
Base-Backbone interact. energy: -1.640
local terms energy: -454.115155
where:
bonds (distance) C4'-P energy: -96.465
bonds (distance) P-C4' energy: -71.660
flat angles C4'-P-C4' energy: -98.948
flat angles P-C4'-P energy: -67.802
tors. eta vs tors. theta energy: -119.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1334.947016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.947016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.947016 (E_RNA)
where:
Base-Base interactions energy: -906.880
where: short stacking energy: -391.696
Base-Backbone interact. energy: -1.233
local terms energy: -426.834342
where:
bonds (distance) C4'-P energy: -74.239
bonds (distance) P-C4' energy: -86.206
flat angles C4'-P-C4' energy: -103.971
flat angles P-C4'-P energy: -55.818
tors. eta vs tors. theta energy: -106.601
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: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1250.066585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.066585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.066585 (E_RNA)
where:
Base-Base interactions energy: -848.247
where: short stacking energy: -364.399
Base-Backbone interact. energy: -1.320
local terms energy: -400.499514
where:
bonds (distance) C4'-P energy: -70.101
bonds (distance) P-C4' energy: -90.224
flat angles C4'-P-C4' energy: -91.087
flat angles P-C4'-P energy: -51.432
tors. eta vs tors. theta energy: -97.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1021.826996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.826996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.826996 (E_RNA)
where:
Base-Base interactions energy: -642.377
where: short stacking energy: -300.374
Base-Backbone interact. energy: 4.043
local terms energy: -383.493709
where:
bonds (distance) C4'-P energy: -82.171
bonds (distance) P-C4' energy: -85.044
flat angles C4'-P-C4' energy: -81.487
flat angles P-C4'-P energy: -62.339
tors. eta vs tors. theta energy: -72.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -875.937339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.937339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.937339 (E_RNA)
where:
Base-Base interactions energy: -579.921
where: short stacking energy: -264.699
Base-Backbone interact. energy: 0.872
local terms energy: -296.888908
where:
bonds (distance) C4'-P energy: -77.774
bonds (distance) P-C4' energy: -70.165
flat angles C4'-P-C4' energy: -58.959
flat angles P-C4'-P energy: -55.686
tors. eta vs tors. theta energy: -34.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -622.064849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.064849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.064849 (E_RNA)
where:
Base-Base interactions energy: -370.178
where: short stacking energy: -183.334
Base-Backbone interact. energy: 0.068
local terms energy: -251.955736
where:
bonds (distance) C4'-P energy: -63.315
bonds (distance) P-C4' energy: -78.136
flat angles C4'-P-C4' energy: -74.772
flat angles P-C4'-P energy: -37.151
tors. eta vs tors. theta energy: 1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -695.549774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.549774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.549774 (E_RNA)
where:
Base-Base interactions energy: -430.416
where: short stacking energy: -201.817
Base-Backbone interact. energy: 0.496
local terms energy: -265.629356
where:
bonds (distance) C4'-P energy: -66.598
bonds (distance) P-C4' energy: -79.197
flat angles C4'-P-C4' energy: -56.152
flat angles P-C4'-P energy: -44.920
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1565.056500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.056500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.056500 (E_RNA)
where:
Base-Base interactions energy: -1080.329
where: short stacking energy: -461.429
Base-Backbone interact. energy: -5.201
local terms energy: -479.527015
where:
bonds (distance) C4'-P energy: -85.074
bonds (distance) P-C4' energy: -90.867
flat angles C4'-P-C4' energy: -101.131
flat angles P-C4'-P energy: -72.890
tors. eta vs tors. theta energy: -129.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1516.356641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.356641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.356641 (E_RNA)
where:
Base-Base interactions energy: -1054.399
where: short stacking energy: -469.015
Base-Backbone interact. energy: -2.854
local terms energy: -459.102940
where:
bonds (distance) C4'-P energy: -85.843
bonds (distance) P-C4' energy: -92.077
flat angles C4'-P-C4' energy: -92.870
flat angles P-C4'-P energy: -66.536
tors. eta vs tors. theta energy: -121.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1441.214128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.214128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.214128 (E_RNA)
where:
Base-Base interactions energy: -996.711
where: short stacking energy: -434.159
Base-Backbone interact. energy: -0.439
local terms energy: -444.064004
where:
bonds (distance) C4'-P energy: -82.312
bonds (distance) P-C4' energy: -84.982
flat angles C4'-P-C4' energy: -98.783
flat angles P-C4'-P energy: -57.653
tors. eta vs tors. theta energy: -120.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1398.202089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.202089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.202089 (E_RNA)
where:
Base-Base interactions energy: -969.115
where: short stacking energy: -402.879
Base-Backbone interact. energy: 0.081
local terms energy: -429.168492
where:
bonds (distance) C4'-P energy: -87.245
bonds (distance) P-C4' energy: -88.865
flat angles C4'-P-C4' energy: -89.676
flat angles P-C4'-P energy: -58.199
tors. eta vs tors. theta energy: -105.184
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: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1390.414318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.414318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.414318 (E_RNA)
where:
Base-Base interactions energy: -951.013
where: short stacking energy: -437.149
Base-Backbone interact. energy: -1.352
local terms energy: -438.049270
where:
bonds (distance) C4'-P energy: -79.197
bonds (distance) P-C4' energy: -83.073
flat angles C4'-P-C4' energy: -92.619
flat angles P-C4'-P energy: -61.902
tors. eta vs tors. theta energy: -121.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1219.556718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.556718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.556718 (E_RNA)
where:
Base-Base interactions energy: -812.418
where: short stacking energy: -369.690
Base-Backbone interact. energy: -1.622
local terms energy: -405.516756
where:
bonds (distance) C4'-P energy: -90.375
bonds (distance) P-C4' energy: -86.531
flat angles C4'-P-C4' energy: -84.296
flat angles P-C4'-P energy: -53.381
tors. eta vs tors. theta energy: -90.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1020.465612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.465612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.465612 (E_RNA)
where:
Base-Base interactions energy: -644.686
where: short stacking energy: -304.677
Base-Backbone interact. energy: -3.600
local terms energy: -372.179759
where:
bonds (distance) C4'-P energy: -81.553
bonds (distance) P-C4' energy: -79.707
flat angles C4'-P-C4' energy: -91.912
flat angles P-C4'-P energy: -49.403
tors. eta vs tors. theta energy: -69.604
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: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -865.675455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.675455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.675455 (E_RNA)
where:
Base-Base interactions energy: -520.000
where: short stacking energy: -243.564
Base-Backbone interact. energy: 0.476
local terms energy: -346.151107
where:
bonds (distance) C4'-P energy: -77.168
bonds (distance) P-C4' energy: -94.550
flat angles C4'-P-C4' energy: -80.144
flat angles P-C4'-P energy: -55.418
tors. eta vs tors. theta energy: -38.871
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: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -723.561225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.561225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.561225 (E_RNA)
where:
Base-Base interactions energy: -436.506
where: short stacking energy: -207.336
Base-Backbone interact. energy: -0.929
local terms energy: -286.125724
where:
bonds (distance) C4'-P energy: -80.326
bonds (distance) P-C4' energy: -76.882
flat angles C4'-P-C4' energy: -78.960
flat angles P-C4'-P energy: -33.864
tors. eta vs tors. theta energy: -16.094
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: 368
Temperature: 1.350000
Total energy: -559.534601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.534601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.534601 (E_RNA)
where:
Base-Base interactions energy: -299.689
where: short stacking energy: -155.033
Base-Backbone interact. energy: -1.173
local terms energy: -258.672406
where:
bonds (distance) C4'-P energy: -65.419
bonds (distance) P-C4' energy: -71.426
flat angles C4'-P-C4' energy: -72.327
flat angles P-C4'-P energy: -47.160
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1579.007874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.007874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.007874 (E_RNA)
where:
Base-Base interactions energy: -1087.931
where: short stacking energy: -454.373
Base-Backbone interact. energy: 0.199
local terms energy: -491.275945
where:
bonds (distance) C4'-P energy: -90.647
bonds (distance) P-C4' energy: -89.603
flat angles C4'-P-C4' energy: -105.804
flat angles P-C4'-P energy: -72.113
tors. eta vs tors. theta energy: -133.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1549.883304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.883304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.883304 (E_RNA)
where:
Base-Base interactions energy: -1084.456
where: short stacking energy: -473.266
Base-Backbone interact. energy: -1.381
local terms energy: -464.046019
where:
bonds (distance) C4'-P energy: -90.030
bonds (distance) P-C4' energy: -95.834
flat angles C4'-P-C4' energy: -82.151
flat angles P-C4'-P energy: -67.480
tors. eta vs tors. theta energy: -128.551
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: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1437.682965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.682965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.682965 (E_RNA)
where:
Base-Base interactions energy: -988.710
where: short stacking energy: -437.247
Base-Backbone interact. energy: 1.511
local terms energy: -450.484203
where:
bonds (distance) C4'-P energy: -90.565
bonds (distance) P-C4' energy: -78.811
flat angles C4'-P-C4' energy: -96.607
flat angles P-C4'-P energy: -68.589
tors. eta vs tors. theta energy: -115.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1407.381494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.381494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.381494 (E_RNA)
where:
Base-Base interactions energy: -980.019
where: short stacking energy: -409.646
Base-Backbone interact. energy: -2.750
local terms energy: -424.612424
where:
bonds (distance) C4'-P energy: -81.807
bonds (distance) P-C4' energy: -86.620
flat angles C4'-P-C4' energy: -91.380
flat angles P-C4'-P energy: -62.172
tors. eta vs tors. theta energy: -102.634
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: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1361.151312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.151312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.151312 (E_RNA)
where:
Base-Base interactions energy: -957.015
where: short stacking energy: -426.992
Base-Backbone interact. energy: 5.290
local terms energy: -409.425996
where:
bonds (distance) C4'-P energy: -63.354
bonds (distance) P-C4' energy: -78.623
flat angles C4'-P-C4' energy: -92.635
flat angles P-C4'-P energy: -55.824
tors. eta vs tors. theta energy: -118.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1223.897498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.897498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.897498 (E_RNA)
where:
Base-Base interactions energy: -828.351
where: short stacking energy: -355.343
Base-Backbone interact. energy: -1.293
local terms energy: -394.253304
where:
bonds (distance) C4'-P energy: -84.585
bonds (distance) P-C4' energy: -91.212
flat angles C4'-P-C4' energy: -86.797
flat angles P-C4'-P energy: -48.494
tors. eta vs tors. theta energy: -83.166
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: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1030.481863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.481863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.481863 (E_RNA)
where:
Base-Base interactions energy: -681.647
where: short stacking energy: -319.440
Base-Backbone interact. energy: -0.948
local terms energy: -347.886820
where:
bonds (distance) C4'-P energy: -76.439
bonds (distance) P-C4' energy: -71.569
flat angles C4'-P-C4' energy: -80.037
flat angles P-C4'-P energy: -42.142
tors. eta vs tors. theta energy: -77.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -863.272569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.272569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.272569 (E_RNA)
where:
Base-Base interactions energy: -541.238
where: short stacking energy: -257.978
Base-Backbone interact. energy: 1.270
local terms energy: -323.303660
where:
bonds (distance) C4'-P energy: -73.058
bonds (distance) P-C4' energy: -63.656
flat angles C4'-P-C4' energy: -86.186
flat angles P-C4'-P energy: -63.435
tors. eta vs tors. theta energy: -36.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -714.629311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.629311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.629311 (E_RNA)
where:
Base-Base interactions energy: -441.135
where: short stacking energy: -199.098
Base-Backbone interact. energy: 1.633
local terms energy: -275.127550
where:
bonds (distance) C4'-P energy: -73.889
bonds (distance) P-C4' energy: -74.268
flat angles C4'-P-C4' energy: -65.684
flat angles P-C4'-P energy: -42.605
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -576.784712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.784712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.784712 (E_RNA)
where:
Base-Base interactions energy: -334.934
where: short stacking energy: -186.831
Base-Backbone interact. energy: -1.205
local terms energy: -240.645592
where:
bonds (distance) C4'-P energy: -62.797
bonds (distance) P-C4' energy: -53.290
flat angles C4'-P-C4' energy: -79.567
flat angles P-C4'-P energy: -30.114
tors. eta vs tors. theta energy: -14.878
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: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1559.101204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.101204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.101204 (E_RNA)
where:
Base-Base interactions energy: -1058.664
where: short stacking energy: -464.985
Base-Backbone interact. energy: -1.447
local terms energy: -498.990859
where:
bonds (distance) C4'-P energy: -94.460
bonds (distance) P-C4' energy: -100.092
flat angles C4'-P-C4' energy: -110.236
flat angles P-C4'-P energy: -69.216
tors. eta vs tors. theta energy: -124.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1527.800335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.800335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.800335 (E_RNA)
where:
Base-Base interactions energy: -1050.547
where: short stacking energy: -435.185
Base-Backbone interact. energy: -4.057
local terms energy: -473.196782
where:
bonds (distance) C4'-P energy: -87.539
bonds (distance) P-C4' energy: -94.184
flat angles C4'-P-C4' energy: -94.839
flat angles P-C4'-P energy: -71.804
tors. eta vs tors. theta energy: -124.831
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: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1432.485427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.485427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.485427 (E_RNA)
where:
Base-Base interactions energy: -961.160
where: short stacking energy: -441.135
Base-Backbone interact. energy: -2.060
local terms energy: -469.264602
where:
bonds (distance) C4'-P energy: -100.738
bonds (distance) P-C4' energy: -86.837
flat angles C4'-P-C4' energy: -91.663
flat angles P-C4'-P energy: -56.873
tors. eta vs tors. theta energy: -133.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1424.222532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.222532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.222532 (E_RNA)
where:
Base-Base interactions energy: -1011.186
where: short stacking energy: -401.787
Base-Backbone interact. energy: 5.112
local terms energy: -418.148249
where:
bonds (distance) C4'-P energy: -70.474
bonds (distance) P-C4' energy: -88.940
flat angles C4'-P-C4' energy: -93.342
flat angles P-C4'-P energy: -52.449
tors. eta vs tors. theta energy: -112.944
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: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1340.910741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.910741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.910741 (E_RNA)
where:
Base-Base interactions energy: -910.856
where: short stacking energy: -426.681
Base-Backbone interact. energy: -0.854
local terms energy: -429.200891
where:
bonds (distance) C4'-P energy: -85.874
bonds (distance) P-C4' energy: -77.927
flat angles C4'-P-C4' energy: -82.836
flat angles P-C4'-P energy: -67.983
tors. eta vs tors. theta energy: -114.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1257.696448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.696448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.696448 (E_RNA)
where:
Base-Base interactions energy: -848.566
where: short stacking energy: -370.006
Base-Backbone interact. energy: 6.554
local terms energy: -415.685012
where:
bonds (distance) C4'-P energy: -83.483
bonds (distance) P-C4' energy: -92.710
flat angles C4'-P-C4' energy: -91.817
flat angles P-C4'-P energy: -61.791
tors. eta vs tors. theta energy: -85.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1047.092536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.092536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.092536 (E_RNA)
where:
Base-Base interactions energy: -681.058
where: short stacking energy: -312.999
Base-Backbone interact. energy: -1.909
local terms energy: -364.124944
where:
bonds (distance) C4'-P energy: -81.324
bonds (distance) P-C4' energy: -73.731
flat angles C4'-P-C4' energy: -91.360
flat angles P-C4'-P energy: -49.632
tors. eta vs tors. theta energy: -68.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -878.558207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.558207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.558207 (E_RNA)
where:
Base-Base interactions energy: -554.374
where: short stacking energy: -283.761
Base-Backbone interact. energy: 3.277
local terms energy: -327.461106
where:
bonds (distance) C4'-P energy: -87.595
bonds (distance) P-C4' energy: -59.155
flat angles C4'-P-C4' energy: -93.412
flat angles P-C4'-P energy: -53.614
tors. eta vs tors. theta energy: -33.686
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: 370
Temperature: 1.300000
Total energy: -738.037393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.037393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.037393 (E_RNA)
where:
Base-Base interactions energy: -447.608
where: short stacking energy: -208.229
Base-Backbone interact. energy: 3.187
local terms energy: -293.616275
where:
bonds (distance) C4'-P energy: -72.494
bonds (distance) P-C4' energy: -73.179
flat angles C4'-P-C4' energy: -72.273
flat angles P-C4'-P energy: -46.483
tors. eta vs tors. theta energy: -29.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -577.442040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.442040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.442040 (E_RNA)
where:
Base-Base interactions energy: -325.489
where: short stacking energy: -179.096
Base-Backbone interact. energy: -1.026
local terms energy: -250.927605
where:
bonds (distance) C4'-P energy: -67.817
bonds (distance) P-C4' energy: -78.893
flat angles C4'-P-C4' energy: -59.951
flat angles P-C4'-P energy: -32.533
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1545.789657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.789657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.789657 (E_RNA)
where:
Base-Base interactions energy: -1076.536
where: short stacking energy: -469.052
Base-Backbone interact. energy: -1.845
local terms energy: -467.409220
where:
bonds (distance) C4'-P energy: -86.144
bonds (distance) P-C4' energy: -88.323
flat angles C4'-P-C4' energy: -108.248
flat angles P-C4'-P energy: -57.943
tors. eta vs tors. theta energy: -126.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1553.558768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.558768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.558768 (E_RNA)
where:
Base-Base interactions energy: -1068.648
where: short stacking energy: -454.219
Base-Backbone interact. energy: -2.007
local terms energy: -482.903825
where:
bonds (distance) C4'-P energy: -90.355
bonds (distance) P-C4' energy: -95.660
flat angles C4'-P-C4' energy: -95.962
flat angles P-C4'-P energy: -71.046
tors. eta vs tors. theta energy: -129.881
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: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1414.744172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.744172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.744172 (E_RNA)
where:
Base-Base interactions energy: -958.181
where: short stacking energy: -415.802
Base-Backbone interact. energy: -2.737
local terms energy: -453.825439
where:
bonds (distance) C4'-P energy: -95.149
bonds (distance) P-C4' energy: -84.096
flat angles C4'-P-C4' energy: -89.888
flat angles P-C4'-P energy: -58.114
tors. eta vs tors. theta energy: -126.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1409.585236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.585236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.585236 (E_RNA)
where:
Base-Base interactions energy: -996.803
where: short stacking energy: -422.899
Base-Backbone interact. energy: -2.143
local terms energy: -410.639776
where:
bonds (distance) C4'-P energy: -74.428
bonds (distance) P-C4' energy: -70.104
flat angles C4'-P-C4' energy: -90.639
flat angles P-C4'-P energy: -66.356
tors. eta vs tors. theta energy: -109.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1361.634756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.634756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.634756 (E_RNA)
where:
Base-Base interactions energy: -925.178
where: short stacking energy: -404.576
Base-Backbone interact. energy: 0.786
local terms energy: -437.243232
where:
bonds (distance) C4'-P energy: -91.093
bonds (distance) P-C4' energy: -88.217
flat angles C4'-P-C4' energy: -90.785
flat angles P-C4'-P energy: -57.172
tors. eta vs tors. theta energy: -109.976
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: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1249.600930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.600930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.600930 (E_RNA)
where:
Base-Base interactions energy: -827.751
where: short stacking energy: -363.158
Base-Backbone interact. energy: 0.527
local terms energy: -422.377026
where:
bonds (distance) C4'-P energy: -83.679
bonds (distance) P-C4' energy: -90.312
flat angles C4'-P-C4' energy: -91.097
flat angles P-C4'-P energy: -57.910
tors. eta vs tors. theta energy: -99.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1022.612213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.612213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.612213 (E_RNA)
where:
Base-Base interactions energy: -664.540
where: short stacking energy: -314.487
Base-Backbone interact. energy: -3.440
local terms energy: -354.632128
where:
bonds (distance) C4'-P energy: -81.857
bonds (distance) P-C4' energy: -74.795
flat angles C4'-P-C4' energy: -78.523
flat angles P-C4'-P energy: -56.869
tors. eta vs tors. theta energy: -62.588
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: 371
Temperature: 1.250000
Total energy: -872.824689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.824689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.824689 (E_RNA)
where:
Base-Base interactions energy: -574.839
where: short stacking energy: -270.335
Base-Backbone interact. energy: 1.666
local terms energy: -299.651296
where:
bonds (distance) C4'-P energy: -64.236
bonds (distance) P-C4' energy: -76.199
flat angles C4'-P-C4' energy: -66.741
flat angles P-C4'-P energy: -52.272
tors. eta vs tors. theta energy: -40.203
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: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -740.420319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.420319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.420319 (E_RNA)
where:
Base-Base interactions energy: -460.184
where: short stacking energy: -214.668
Base-Backbone interact. energy: 0.465
local terms energy: -280.700780
where:
bonds (distance) C4'-P energy: -61.208
bonds (distance) P-C4' energy: -86.298
flat angles C4'-P-C4' energy: -66.345
flat angles P-C4'-P energy: -38.997
tors. eta vs tors. theta energy: -27.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -596.147734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.147734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.147734 (E_RNA)
where:
Base-Base interactions energy: -336.360
where: short stacking energy: -174.748
Base-Backbone interact. energy: 1.488
local terms energy: -261.275854
where:
bonds (distance) C4'-P energy: -88.601
bonds (distance) P-C4' energy: -73.842
flat angles C4'-P-C4' energy: -67.461
flat angles P-C4'-P energy: -21.570
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: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1557.290865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.290865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.290865 (E_RNA)
where:
Base-Base interactions energy: -1051.631
where: short stacking energy: -458.438
Base-Backbone interact. energy: -3.270
local terms energy: -502.389069
where:
bonds (distance) C4'-P energy: -93.759
bonds (distance) P-C4' energy: -103.142
flat angles C4'-P-C4' energy: -103.160
flat angles P-C4'-P energy: -67.713
tors. eta vs tors. theta energy: -134.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1543.765974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.765974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.765974 (E_RNA)
where:
Base-Base interactions energy: -1075.989
where: short stacking energy: -448.838
Base-Backbone interact. energy: -3.372
local terms energy: -464.404387
where:
bonds (distance) C4'-P energy: -96.568
bonds (distance) P-C4' energy: -91.003
flat angles C4'-P-C4' energy: -90.763
flat angles P-C4'-P energy: -65.514
tors. eta vs tors. theta energy: -120.556
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: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1434.165068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.165068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.165068 (E_RNA)
where:
Base-Base interactions energy: -983.616
where: short stacking energy: -436.151
Base-Backbone interact. energy: -0.634
local terms energy: -449.914728
where:
bonds (distance) C4'-P energy: -78.299
bonds (distance) P-C4' energy: -84.991
flat angles C4'-P-C4' energy: -97.417
flat angles P-C4'-P energy: -60.555
tors. eta vs tors. theta energy: -128.653
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: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1403.777334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.777334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.777334 (E_RNA)
where:
Base-Base interactions energy: -967.383
where: short stacking energy: -399.445
Base-Backbone interact. energy: -0.962
local terms energy: -435.432958
where:
bonds (distance) C4'-P energy: -80.635
bonds (distance) P-C4' energy: -65.547
flat angles C4'-P-C4' energy: -111.632
flat angles P-C4'-P energy: -67.585
tors. eta vs tors. theta energy: -110.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1298.927408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.927408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.927408 (E_RNA)
where:
Base-Base interactions energy: -878.171
where: short stacking energy: -388.253
Base-Backbone interact. energy: -1.223
local terms energy: -419.532986
where:
bonds (distance) C4'-P energy: -78.796
bonds (distance) P-C4' energy: -85.321
flat angles C4'-P-C4' energy: -92.742
flat angles P-C4'-P energy: -67.990
tors. eta vs tors. theta energy: -94.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1207.445953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.445953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.445953 (E_RNA)
where:
Base-Base interactions energy: -830.108
where: short stacking energy: -355.436
Base-Backbone interact. energy: -0.633
local terms energy: -376.705032
where:
bonds (distance) C4'-P energy: -63.181
bonds (distance) P-C4' energy: -76.971
flat angles C4'-P-C4' energy: -92.838
flat angles P-C4'-P energy: -62.940
tors. eta vs tors. theta energy: -80.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1043.560877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.560877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.560877 (E_RNA)
where:
Base-Base interactions energy: -684.172
where: short stacking energy: -305.885
Base-Backbone interact. energy: 1.078
local terms energy: -360.466452
where:
bonds (distance) C4'-P energy: -69.221
bonds (distance) P-C4' energy: -79.002
flat angles C4'-P-C4' energy: -90.008
flat angles P-C4'-P energy: -53.580
tors. eta vs tors. theta energy: -68.654
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: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -858.829901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.829901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.829901 (E_RNA)
where:
Base-Base interactions energy: -543.761
where: short stacking energy: -242.982
Base-Backbone interact. energy: 2.449
local terms energy: -317.517349
where:
bonds (distance) C4'-P energy: -78.126
bonds (distance) P-C4' energy: -78.150
flat angles C4'-P-C4' energy: -86.968
flat angles P-C4'-P energy: -49.771
tors. eta vs tors. theta energy: -24.502
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: 372
Temperature: 1.300000
Total energy: -772.763979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.763979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.763979 (E_RNA)
where:
Base-Base interactions energy: -488.491
where: short stacking energy: -253.914
Base-Backbone interact. energy: 1.833
local terms energy: -286.105868
where:
bonds (distance) C4'-P energy: -52.002
bonds (distance) P-C4' energy: -74.341
flat angles C4'-P-C4' energy: -72.387
flat angles P-C4'-P energy: -39.169
tors. eta vs tors. theta energy: -48.207
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: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -579.075625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.075625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.075625 (E_RNA)
where:
Base-Base interactions energy: -294.550
where: short stacking energy: -138.863
Base-Backbone interact. energy: -3.137
local terms energy: -281.389150
where:
bonds (distance) C4'-P energy: -68.047
bonds (distance) P-C4' energy: -79.839
flat angles C4'-P-C4' energy: -83.073
flat angles P-C4'-P energy: -46.356
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1570.392483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.392483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.392483 (E_RNA)
where:
Base-Base interactions energy: -1072.230
where: short stacking energy: -468.446
Base-Backbone interact. energy: -2.164
local terms energy: -495.998835
where:
bonds (distance) C4'-P energy: -87.589
bonds (distance) P-C4' energy: -95.399
flat angles C4'-P-C4' energy: -105.101
flat angles P-C4'-P energy: -67.543
tors. eta vs tors. theta energy: -140.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1514.754717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.754717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.754717 (E_RNA)
where:
Base-Base interactions energy: -1053.520
where: short stacking energy: -441.388
Base-Backbone interact. energy: -0.471
local terms energy: -460.763361
where:
bonds (distance) C4'-P energy: -83.014
bonds (distance) P-C4' energy: -92.036
flat angles C4'-P-C4' energy: -105.466
flat angles P-C4'-P energy: -64.627
tors. eta vs tors. theta energy: -115.620
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: 373
Temperature: 1.000000
Total energy: -1438.373939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.373939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.373939 (E_RNA)
where:
Base-Base interactions energy: -981.850
where: short stacking energy: -425.711
Base-Backbone interact. energy: -0.182
local terms energy: -456.342271
where:
bonds (distance) C4'-P energy: -89.797
bonds (distance) P-C4' energy: -86.645
flat angles C4'-P-C4' energy: -96.303
flat angles P-C4'-P energy: -62.240
tors. eta vs tors. theta energy: -121.357
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: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1407.943478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.943478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.943478 (E_RNA)
where:
Base-Base interactions energy: -979.405
where: short stacking energy: -406.209
Base-Backbone interact. energy: -0.992
local terms energy: -427.545954
where:
bonds (distance) C4'-P energy: -82.419
bonds (distance) P-C4' energy: -88.732
flat angles C4'-P-C4' energy: -94.310
flat angles P-C4'-P energy: -60.414
tors. eta vs tors. theta energy: -101.671
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: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1290.748896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.748896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.748896 (E_RNA)
where:
Base-Base interactions energy: -888.496
where: short stacking energy: -387.134
Base-Backbone interact. energy: -2.567
local terms energy: -399.686497
where:
bonds (distance) C4'-P energy: -81.011
bonds (distance) P-C4' energy: -78.916
flat angles C4'-P-C4' energy: -88.426
flat angles P-C4'-P energy: -51.250
tors. eta vs tors. theta energy: -100.083
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: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1197.245114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.245114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.245114 (E_RNA)
where:
Base-Base interactions energy: -788.423
where: short stacking energy: -362.173
Base-Backbone interact. energy: -1.136
local terms energy: -407.685364
where:
bonds (distance) C4'-P energy: -75.935
bonds (distance) P-C4' energy: -80.868
flat angles C4'-P-C4' energy: -96.395
flat angles P-C4'-P energy: -56.348
tors. eta vs tors. theta energy: -98.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1014.970304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.970304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.970304 (E_RNA)
where:
Base-Base interactions energy: -660.686
where: short stacking energy: -298.465
Base-Backbone interact. energy: 1.156
local terms energy: -355.439823
where:
bonds (distance) C4'-P energy: -74.732
bonds (distance) P-C4' energy: -78.317
flat angles C4'-P-C4' energy: -85.234
flat angles P-C4'-P energy: -48.571
tors. eta vs tors. theta energy: -68.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -893.281628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.281628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.281628 (E_RNA)
where:
Base-Base interactions energy: -587.034
where: short stacking energy: -266.427
Base-Backbone interact. energy: 1.642
local terms energy: -307.889803
where:
bonds (distance) C4'-P energy: -73.941
bonds (distance) P-C4' energy: -59.893
flat angles C4'-P-C4' energy: -87.916
flat angles P-C4'-P energy: -39.305
tors. eta vs tors. theta energy: -46.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -740.906972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.906972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.906972 (E_RNA)
where:
Base-Base interactions energy: -420.578
where: short stacking energy: -199.031
Base-Backbone interact. energy: 6.899
local terms energy: -327.228400
where:
bonds (distance) C4'-P energy: -70.354
bonds (distance) P-C4' energy: -85.085
flat angles C4'-P-C4' energy: -79.627
flat angles P-C4'-P energy: -52.324
tors. eta vs tors. theta energy: -39.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -576.766107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.766107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.766107 (E_RNA)
where:
Base-Base interactions energy: -312.805
where: short stacking energy: -153.680
Base-Backbone interact. energy: 0.713
local terms energy: -264.673804
where:
bonds (distance) C4'-P energy: -73.058
bonds (distance) P-C4' energy: -82.723
flat angles C4'-P-C4' energy: -50.239
flat angles P-C4'-P energy: -48.097
tors. eta vs tors. theta energy: -10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1546.133455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.133455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.133455 (E_RNA)
where:
Base-Base interactions energy: -1069.412
where: short stacking energy: -453.117
Base-Backbone interact. energy: -2.546
local terms energy: -474.175287
where:
bonds (distance) C4'-P energy: -91.151
bonds (distance) P-C4' energy: -100.104
flat angles C4'-P-C4' energy: -94.576
flat angles P-C4'-P energy: -65.508
tors. eta vs tors. theta energy: -122.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1492.923402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.923402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.923402 (E_RNA)
where:
Base-Base interactions energy: -1063.285
where: short stacking energy: -438.118
Base-Backbone interact. energy: -4.403
local terms energy: -425.234823
where:
bonds (distance) C4'-P energy: -79.599
bonds (distance) P-C4' energy: -88.323
flat angles C4'-P-C4' energy: -100.546
flat angles P-C4'-P energy: -42.410
tors. eta vs tors. theta energy: -114.356
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: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1442.408023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.408023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.408023 (E_RNA)
where:
Base-Base interactions energy: -994.312
where: short stacking energy: -432.914
Base-Backbone interact. energy: -0.475
local terms energy: -447.621508
where:
bonds (distance) C4'-P energy: -89.020
bonds (distance) P-C4' energy: -71.239
flat angles C4'-P-C4' energy: -104.979
flat angles P-C4'-P energy: -64.899
tors. eta vs tors. theta energy: -117.485
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: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1422.676634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.676634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.676634 (E_RNA)
where:
Base-Base interactions energy: -992.094
where: short stacking energy: -428.195
Base-Backbone interact. energy: -0.014
local terms energy: -430.569515
where:
bonds (distance) C4'-P energy: -82.680
bonds (distance) P-C4' energy: -75.118
flat angles C4'-P-C4' energy: -94.600
flat angles P-C4'-P energy: -57.313
tors. eta vs tors. theta energy: -120.860
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: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1320.647376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.647376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.647376 (E_RNA)
where:
Base-Base interactions energy: -892.470
where: short stacking energy: -401.937
Base-Backbone interact. energy: -2.074
local terms energy: -426.103357
where:
bonds (distance) C4'-P energy: -79.076
bonds (distance) P-C4' energy: -93.311
flat angles C4'-P-C4' energy: -85.025
flat angles P-C4'-P energy: -56.787
tors. eta vs tors. theta energy: -111.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1184.834045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.834045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.834045 (E_RNA)
where:
Base-Base interactions energy: -808.179
where: short stacking energy: -338.155
Base-Backbone interact. energy: 0.056
local terms energy: -376.711465
where:
bonds (distance) C4'-P energy: -73.380
bonds (distance) P-C4' energy: -86.994
flat angles C4'-P-C4' energy: -82.230
flat angles P-C4'-P energy: -50.498
tors. eta vs tors. theta energy: -83.610
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: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1005.186047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.186047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.186047 (E_RNA)
where:
Base-Base interactions energy: -635.881
where: short stacking energy: -289.391
Base-Backbone interact. energy: 1.231
local terms energy: -370.535311
where:
bonds (distance) C4'-P energy: -78.949
bonds (distance) P-C4' energy: -83.745
flat angles C4'-P-C4' energy: -89.883
flat angles P-C4'-P energy: -49.100
tors. eta vs tors. theta energy: -68.858
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: 374
Temperature: 1.250000
Total energy: -896.272883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.272883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.272883 (E_RNA)
where:
Base-Base interactions energy: -570.480
where: short stacking energy: -257.547
Base-Backbone interact. energy: 0.149
local terms energy: -325.941914
where:
bonds (distance) C4'-P energy: -73.207
bonds (distance) P-C4' energy: -92.258
flat angles C4'-P-C4' energy: -76.742
flat angles P-C4'-P energy: -46.699
tors. eta vs tors. theta energy: -37.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -765.869871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.869871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.869871 (E_RNA)
where:
Base-Base interactions energy: -455.454
where: short stacking energy: -211.882
Base-Backbone interact. energy: -0.914
local terms energy: -309.501917
where:
bonds (distance) C4'-P energy: -78.130
bonds (distance) P-C4' energy: -87.056
flat angles C4'-P-C4' energy: -82.497
flat angles P-C4'-P energy: -38.975
tors. eta vs tors. theta energy: -22.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -591.296830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.296830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.296830 (E_RNA)
where:
Base-Base interactions energy: -309.696
where: short stacking energy: -168.284
Base-Backbone interact. energy: -0.565
local terms energy: -281.035655
where:
bonds (distance) C4'-P energy: -80.307
bonds (distance) P-C4' energy: -83.672
flat angles C4'-P-C4' energy: -74.211
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -16.418
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: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1569.684266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.684266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.684266 (E_RNA)
where:
Base-Base interactions energy: -1079.250
where: short stacking energy: -467.839
Base-Backbone interact. energy: -0.737
local terms energy: -489.696637
where:
bonds (distance) C4'-P energy: -93.843
bonds (distance) P-C4' energy: -100.180
flat angles C4'-P-C4' energy: -97.254
flat angles P-C4'-P energy: -72.267
tors. eta vs tors. theta energy: -126.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1499.975028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.975028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.975028 (E_RNA)
where:
Base-Base interactions energy: -1050.239
where: short stacking energy: -438.308
Base-Backbone interact. energy: -4.975
local terms energy: -444.761173
where:
bonds (distance) C4'-P energy: -79.736
bonds (distance) P-C4' energy: -76.660
flat angles C4'-P-C4' energy: -104.863
flat angles P-C4'-P energy: -64.386
tors. eta vs tors. theta energy: -119.116
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: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1436.529828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.529828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.529828 (E_RNA)
where:
Base-Base interactions energy: -978.132
where: short stacking energy: -429.190
Base-Backbone interact. energy: -1.917
local terms energy: -456.480839
where:
bonds (distance) C4'-P energy: -88.381
bonds (distance) P-C4' energy: -89.493
flat angles C4'-P-C4' energy: -95.591
flat angles P-C4'-P energy: -61.373
tors. eta vs tors. theta energy: -121.642
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: 375
Temperature: 1.050000
Total energy: -1417.339221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.339221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.339221 (E_RNA)
where:
Base-Base interactions energy: -1003.547
where: short stacking energy: -411.628
Base-Backbone interact. energy: -1.780
local terms energy: -412.012582
where:
bonds (distance) C4'-P energy: -79.727
bonds (distance) P-C4' energy: -89.229
flat angles C4'-P-C4' energy: -88.759
flat angles P-C4'-P energy: -48.794
tors. eta vs tors. theta energy: -105.503
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: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1345.892596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.892596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.892596 (E_RNA)
where:
Base-Base interactions energy: -914.313
where: short stacking energy: -420.378
Base-Backbone interact. energy: -0.457
local terms energy: -431.123280
where:
bonds (distance) C4'-P energy: -77.839
bonds (distance) P-C4' energy: -85.407
flat angles C4'-P-C4' energy: -93.974
flat angles P-C4'-P energy: -57.948
tors. eta vs tors. theta energy: -115.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1197.169005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.169005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.169005 (E_RNA)
where:
Base-Base interactions energy: -810.116
where: short stacking energy: -347.036
Base-Backbone interact. energy: -0.207
local terms energy: -386.845666
where:
bonds (distance) C4'-P energy: -76.573
bonds (distance) P-C4' energy: -69.542
flat angles C4'-P-C4' energy: -91.918
flat angles P-C4'-P energy: -55.845
tors. eta vs tors. theta energy: -92.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -996.925788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.925788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.925788 (E_RNA)
where:
Base-Base interactions energy: -663.886
where: short stacking energy: -304.074
Base-Backbone interact. energy: 0.645
local terms energy: -333.684358
where:
bonds (distance) C4'-P energy: -73.330
bonds (distance) P-C4' energy: -75.588
flat angles C4'-P-C4' energy: -81.380
flat angles P-C4'-P energy: -32.930
tors. eta vs tors. theta energy: -70.457
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: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -868.005348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.005348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.005348 (E_RNA)
where:
Base-Base interactions energy: -534.408
where: short stacking energy: -243.105
Base-Backbone interact. energy: -2.684
local terms energy: -330.913508
where:
bonds (distance) C4'-P energy: -80.421
bonds (distance) P-C4' energy: -74.628
flat angles C4'-P-C4' energy: -87.306
flat angles P-C4'-P energy: -53.693
tors. eta vs tors. theta energy: -34.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -716.803380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.803380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.803380 (E_RNA)
where:
Base-Base interactions energy: -434.196
where: short stacking energy: -203.476
Base-Backbone interact. energy: 2.679
local terms energy: -285.285992
where:
bonds (distance) C4'-P energy: -73.475
bonds (distance) P-C4' energy: -82.039
flat angles C4'-P-C4' energy: -84.803
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -582.810863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.810863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.810863 (E_RNA)
where:
Base-Base interactions energy: -309.889
where: short stacking energy: -157.968
Base-Backbone interact. energy: 0.076
local terms energy: -272.998132
where:
bonds (distance) C4'-P energy: -61.946
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -59.608
flat angles P-C4'-P energy: -49.861
tors. eta vs tors. theta energy: -11.095
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: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1555.286978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.286978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.286978 (E_RNA)
where:
Base-Base interactions energy: -1076.847
where: short stacking energy: -444.737
Base-Backbone interact. energy: -3.825
local terms energy: -474.614810
where:
bonds (distance) C4'-P energy: -90.400
bonds (distance) P-C4' energy: -89.173
flat angles C4'-P-C4' energy: -97.387
flat angles P-C4'-P energy: -69.291
tors. eta vs tors. theta energy: -128.365
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: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1517.124687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.124687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.124687 (E_RNA)
where:
Base-Base interactions energy: -1051.943
where: short stacking energy: -425.404
Base-Backbone interact. energy: -5.289
local terms energy: -459.892865
where:
bonds (distance) C4'-P energy: -91.163
bonds (distance) P-C4' energy: -80.545
flat angles C4'-P-C4' energy: -104.807
flat angles P-C4'-P energy: -67.914
tors. eta vs tors. theta energy: -115.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1458.282723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.282723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.282723 (E_RNA)
where:
Base-Base interactions energy: -1011.878
where: short stacking energy: -407.688
Base-Backbone interact. energy: -2.803
local terms energy: -443.601722
where:
bonds (distance) C4'-P energy: -76.470
bonds (distance) P-C4' energy: -80.272
flat angles C4'-P-C4' energy: -105.508
flat angles P-C4'-P energy: -66.362
tors. eta vs tors. theta energy: -114.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1397.939609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.939609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.939609 (E_RNA)
where:
Base-Base interactions energy: -942.733
where: short stacking energy: -427.839
Base-Backbone interact. energy: -1.897
local terms energy: -453.310212
where:
bonds (distance) C4'-P energy: -79.614
bonds (distance) P-C4' energy: -84.056
flat angles C4'-P-C4' energy: -97.301
flat angles P-C4'-P energy: -62.821
tors. eta vs tors. theta energy: -129.518
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: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1341.875206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.875206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.875206 (E_RNA)
where:
Base-Base interactions energy: -903.551
where: short stacking energy: -399.475
Base-Backbone interact. energy: -0.947
local terms energy: -437.377154
where:
bonds (distance) C4'-P energy: -98.204
bonds (distance) P-C4' energy: -77.873
flat angles C4'-P-C4' energy: -97.138
flat angles P-C4'-P energy: -60.842
tors. eta vs tors. theta energy: -103.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1192.478653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.478653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.478653 (E_RNA)
where:
Base-Base interactions energy: -815.311
where: short stacking energy: -342.017
Base-Backbone interact. energy: -1.093
local terms energy: -376.074246
where:
bonds (distance) C4'-P energy: -80.274
bonds (distance) P-C4' energy: -74.856
flat angles C4'-P-C4' energy: -84.039
flat angles P-C4'-P energy: -57.451
tors. eta vs tors. theta energy: -79.453
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: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -987.872323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.872323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.872323 (E_RNA)
where:
Base-Base interactions energy: -647.330
where: short stacking energy: -290.899
Base-Backbone interact. energy: 1.810
local terms energy: -342.351857
where:
bonds (distance) C4'-P energy: -68.831
bonds (distance) P-C4' energy: -80.654
flat angles C4'-P-C4' energy: -86.064
flat angles P-C4'-P energy: -60.071
tors. eta vs tors. theta energy: -46.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -824.888971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.888971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.888971 (E_RNA)
where:
Base-Base interactions energy: -499.188
where: short stacking energy: -248.867
Base-Backbone interact. energy: -3.380
local terms energy: -322.320260
where:
bonds (distance) C4'-P energy: -85.295
bonds (distance) P-C4' energy: -85.491
flat angles C4'-P-C4' energy: -76.597
flat angles P-C4'-P energy: -43.760
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -711.314108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.314108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.314108 (E_RNA)
where:
Base-Base interactions energy: -429.884
where: short stacking energy: -208.543
Base-Backbone interact. energy: -2.721
local terms energy: -278.709001
where:
bonds (distance) C4'-P energy: -78.706
bonds (distance) P-C4' energy: -70.367
flat angles C4'-P-C4' energy: -70.150
flat angles P-C4'-P energy: -40.696
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -568.650015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.650015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.650015 (E_RNA)
where:
Base-Base interactions energy: -294.416
where: short stacking energy: -162.835
Base-Backbone interact. energy: 2.366
local terms energy: -276.599996
where:
bonds (distance) C4'-P energy: -76.908
bonds (distance) P-C4' energy: -87.268
flat angles C4'-P-C4' energy: -66.209
flat angles P-C4'-P energy: -34.137
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1550.401780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.401780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.401780 (E_RNA)
where:
Base-Base interactions energy: -1071.500
where: short stacking energy: -456.258
Base-Backbone interact. energy: -0.140
local terms energy: -478.761326
where:
bonds (distance) C4'-P energy: -89.417
bonds (distance) P-C4' energy: -97.961
flat angles C4'-P-C4' energy: -97.160
flat angles P-C4'-P energy: -70.732
tors. eta vs tors. theta energy: -123.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1517.598452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.598452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.598452 (E_RNA)
where:
Base-Base interactions energy: -1051.479
where: short stacking energy: -448.138
Base-Backbone interact. energy: 0.028
local terms energy: -466.147109
where:
bonds (distance) C4'-P energy: -85.346
bonds (distance) P-C4' energy: -96.436
flat angles C4'-P-C4' energy: -102.164
flat angles P-C4'-P energy: -60.564
tors. eta vs tors. theta energy: -121.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1495.646135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.646135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.646135 (E_RNA)
where:
Base-Base interactions energy: -1047.010
where: short stacking energy: -428.128
Base-Backbone interact. energy: -2.749
local terms energy: -445.886614
where:
bonds (distance) C4'-P energy: -88.839
bonds (distance) P-C4' energy: -87.771
flat angles C4'-P-C4' energy: -95.667
flat angles P-C4'-P energy: -57.222
tors. eta vs tors. theta energy: -116.387
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: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1392.751508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.751508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.751508 (E_RNA)
where:
Base-Base interactions energy: -955.496
where: short stacking energy: -432.936
Base-Backbone interact. energy: -0.653
local terms energy: -436.602177
where:
bonds (distance) C4'-P energy: -69.497
bonds (distance) P-C4' energy: -81.687
flat angles C4'-P-C4' energy: -91.586
flat angles P-C4'-P energy: -64.521
tors. eta vs tors. theta energy: -129.312
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: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1336.584094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.584094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.584094 (E_RNA)
where:
Base-Base interactions energy: -894.371
where: short stacking energy: -416.759
Base-Backbone interact. energy: -1.384
local terms energy: -440.829165
where:
bonds (distance) C4'-P energy: -91.173
bonds (distance) P-C4' energy: -80.118
flat angles C4'-P-C4' energy: -95.911
flat angles P-C4'-P energy: -60.697
tors. eta vs tors. theta energy: -112.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1191.218554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.218554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.218554 (E_RNA)
where:
Base-Base interactions energy: -798.177
where: short stacking energy: -373.765
Base-Backbone interact. energy: 2.020
local terms energy: -395.061739
where:
bonds (distance) C4'-P energy: -73.626
bonds (distance) P-C4' energy: -77.961
flat angles C4'-P-C4' energy: -82.802
flat angles P-C4'-P energy: -50.866
tors. eta vs tors. theta energy: -109.807
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: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1046.102303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.102303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.102303 (E_RNA)
where:
Base-Base interactions energy: -685.204
where: short stacking energy: -297.102
Base-Backbone interact. energy: -2.149
local terms energy: -358.748604
where:
bonds (distance) C4'-P energy: -70.851
bonds (distance) P-C4' energy: -88.013
flat angles C4'-P-C4' energy: -82.579
flat angles P-C4'-P energy: -51.970
tors. eta vs tors. theta energy: -65.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -877.168871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.168871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.168871 (E_RNA)
where:
Base-Base interactions energy: -573.313
where: short stacking energy: -283.316
Base-Backbone interact. energy: 2.956
local terms energy: -306.811654
where:
bonds (distance) C4'-P energy: -75.845
bonds (distance) P-C4' energy: -69.241
flat angles C4'-P-C4' energy: -77.806
flat angles P-C4'-P energy: -43.124
tors. eta vs tors. theta energy: -40.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -711.078360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.078360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.078360 (E_RNA)
where:
Base-Base interactions energy: -419.943
where: short stacking energy: -190.855
Base-Backbone interact. energy: 2.421
local terms energy: -293.556057
where:
bonds (distance) C4'-P energy: -75.856
bonds (distance) P-C4' energy: -81.035
flat angles C4'-P-C4' energy: -71.321
flat angles P-C4'-P energy: -43.067
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -593.903015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.903015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.903015 (E_RNA)
where:
Base-Base interactions energy: -345.003
where: short stacking energy: -166.563
Base-Backbone interact. energy: 0.346
local terms energy: -249.246578
where:
bonds (distance) C4'-P energy: -70.868
bonds (distance) P-C4' energy: -87.822
flat angles C4'-P-C4' energy: -52.187
flat angles P-C4'-P energy: -21.428
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: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1575.125256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.125256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.125256 (E_RNA)
where:
Base-Base interactions energy: -1099.780
where: short stacking energy: -468.152
Base-Backbone interact. energy: -2.084
local terms energy: -473.261249
where:
bonds (distance) C4'-P energy: -84.536
bonds (distance) P-C4' energy: -96.591
flat angles C4'-P-C4' energy: -104.656
flat angles P-C4'-P energy: -63.575
tors. eta vs tors. theta energy: -123.903
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: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1520.586278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.586278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.586278 (E_RNA)
where:
Base-Base interactions energy: -1065.843
where: short stacking energy: -448.332
Base-Backbone interact. energy: -2.484
local terms energy: -452.259153
where:
bonds (distance) C4'-P energy: -80.719
bonds (distance) P-C4' energy: -90.122
flat angles C4'-P-C4' energy: -103.979
flat angles P-C4'-P energy: -57.771
tors. eta vs tors. theta energy: -119.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1506.037133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.037133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.037133 (E_RNA)
where:
Base-Base interactions energy: -1060.679
where: short stacking energy: -433.914
Base-Backbone interact. energy: 0.624
local terms energy: -445.981791
where:
bonds (distance) C4'-P energy: -78.010
bonds (distance) P-C4' energy: -88.437
flat angles C4'-P-C4' energy: -100.631
flat angles P-C4'-P energy: -54.309
tors. eta vs tors. theta energy: -124.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1360.063228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.063228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.063228 (E_RNA)
where:
Base-Base interactions energy: -906.848
where: short stacking energy: -407.052
Base-Backbone interact. energy: -1.953
local terms energy: -451.261681
where:
bonds (distance) C4'-P energy: -87.993
bonds (distance) P-C4' energy: -88.749
flat angles C4'-P-C4' energy: -95.972
flat angles P-C4'-P energy: -65.962
tors. eta vs tors. theta energy: -112.586
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: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1303.647899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.647899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.647899 (E_RNA)
where:
Base-Base interactions energy: -890.644
where: short stacking energy: -409.911
Base-Backbone interact. energy: -2.524
local terms energy: -410.479830
where:
bonds (distance) C4'-P energy: -80.588
bonds (distance) P-C4' energy: -74.415
flat angles C4'-P-C4' energy: -95.367
flat angles P-C4'-P energy: -56.156
tors. eta vs tors. theta energy: -103.954
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: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1196.638876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.638876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.638876 (E_RNA)
where:
Base-Base interactions energy: -810.423
where: short stacking energy: -362.749
Base-Backbone interact. energy: 0.230
local terms energy: -386.446206
where:
bonds (distance) C4'-P energy: -58.499
bonds (distance) P-C4' energy: -79.115
flat angles C4'-P-C4' energy: -95.735
flat angles P-C4'-P energy: -62.265
tors. eta vs tors. theta energy: -90.831
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: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1047.666038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.666038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.666038 (E_RNA)
where:
Base-Base interactions energy: -676.808
where: short stacking energy: -312.966
Base-Backbone interact. energy: 0.466
local terms energy: -371.323173
where:
bonds (distance) C4'-P energy: -85.728
bonds (distance) P-C4' energy: -86.612
flat angles C4'-P-C4' energy: -91.429
flat angles P-C4'-P energy: -52.947
tors. eta vs tors. theta energy: -54.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -933.034176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.034176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.034176 (E_RNA)
where:
Base-Base interactions energy: -587.606
where: short stacking energy: -269.037
Base-Backbone interact. energy: -0.102
local terms energy: -345.326259
where:
bonds (distance) C4'-P energy: -85.654
bonds (distance) P-C4' energy: -89.495
flat angles C4'-P-C4' energy: -84.308
flat angles P-C4'-P energy: -45.526
tors. eta vs tors. theta energy: -40.343
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: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -728.592529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.592529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.592529 (E_RNA)
where:
Base-Base interactions energy: -409.241
where: short stacking energy: -209.118
Base-Backbone interact. energy: 4.102
local terms energy: -323.453950
where:
bonds (distance) C4'-P energy: -84.904
bonds (distance) P-C4' energy: -86.234
flat angles C4'-P-C4' energy: -71.833
flat angles P-C4'-P energy: -49.404
tors. eta vs tors. theta energy: -31.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -632.383415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.383415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.383415 (E_RNA)
where:
Base-Base interactions energy: -384.317
where: short stacking energy: -175.627
Base-Backbone interact. energy: -2.436
local terms energy: -245.630036
where:
bonds (distance) C4'-P energy: -76.239
bonds (distance) P-C4' energy: -60.705
flat angles C4'-P-C4' energy: -49.792
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1555.832802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.832802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.832802 (E_RNA)
where:
Base-Base interactions energy: -1081.263
where: short stacking energy: -470.955
Base-Backbone interact. energy: -2.205
local terms energy: -472.364055
where:
bonds (distance) C4'-P energy: -85.066
bonds (distance) P-C4' energy: -92.215
flat angles C4'-P-C4' energy: -97.062
flat angles P-C4'-P energy: -70.650
tors. eta vs tors. theta energy: -127.371
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: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1509.101171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.101171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.101171 (E_RNA)
where:
Base-Base interactions energy: -1062.282
where: short stacking energy: -433.344
Base-Backbone interact. energy: -4.044
local terms energy: -442.774925
where:
bonds (distance) C4'-P energy: -95.822
bonds (distance) P-C4' energy: -73.097
flat angles C4'-P-C4' energy: -99.807
flat angles P-C4'-P energy: -56.457
tors. eta vs tors. theta energy: -117.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1488.489954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.489954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.489954 (E_RNA)
where:
Base-Base interactions energy: -1023.148
where: short stacking energy: -422.907
Base-Backbone interact. energy: -3.572
local terms energy: -461.769779
where:
bonds (distance) C4'-P energy: -81.184
bonds (distance) P-C4' energy: -95.493
flat angles C4'-P-C4' energy: -98.326
flat angles P-C4'-P energy: -68.761
tors. eta vs tors. theta energy: -118.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1365.052103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.052103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.052103 (E_RNA)
where:
Base-Base interactions energy: -955.305
where: short stacking energy: -412.091
Base-Backbone interact. energy: -3.535
local terms energy: -406.211523
where:
bonds (distance) C4'-P energy: -73.679
bonds (distance) P-C4' energy: -94.648
flat angles C4'-P-C4' energy: -83.241
flat angles P-C4'-P energy: -49.792
tors. eta vs tors. theta energy: -104.852
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: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1316.813615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.813615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.813615 (E_RNA)
where:
Base-Base interactions energy: -876.566
where: short stacking energy: -375.472
Base-Backbone interact. energy: -1.521
local terms energy: -438.725944
where:
bonds (distance) C4'-P energy: -83.331
bonds (distance) P-C4' energy: -91.894
flat angles C4'-P-C4' energy: -90.232
flat angles P-C4'-P energy: -60.370
tors. eta vs tors. theta energy: -112.899
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: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1249.692141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.692141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.692141 (E_RNA)
where:
Base-Base interactions energy: -818.521
where: short stacking energy: -346.009
Base-Backbone interact. energy: -0.634
local terms energy: -430.536456
where:
bonds (distance) C4'-P energy: -88.927
bonds (distance) P-C4' energy: -89.879
flat angles C4'-P-C4' energy: -93.749
flat angles P-C4'-P energy: -54.161
tors. eta vs tors. theta energy: -103.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1021.700660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.700660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.700660 (E_RNA)
where:
Base-Base interactions energy: -669.594
where: short stacking energy: -315.834
Base-Backbone interact. energy: 2.074
local terms energy: -354.181061
where:
bonds (distance) C4'-P energy: -69.392
bonds (distance) P-C4' energy: -87.744
flat angles C4'-P-C4' energy: -78.032
flat angles P-C4'-P energy: -41.749
tors. eta vs tors. theta energy: -77.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -795.662753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.662753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.662753 (E_RNA)
where:
Base-Base interactions energy: -483.956
where: short stacking energy: -231.792
Base-Backbone interact. energy: -2.180
local terms energy: -309.526710
where:
bonds (distance) C4'-P energy: -90.079
bonds (distance) P-C4' energy: -73.804
flat angles C4'-P-C4' energy: -76.588
flat angles P-C4'-P energy: -47.065
tors. eta vs tors. theta energy: -21.991
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: 379
Temperature: 1.300000
Total energy: -843.296992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.296992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.296992 (E_RNA)
where:
Base-Base interactions energy: -514.672
where: short stacking energy: -233.679
Base-Backbone interact. energy: 5.874
local terms energy: -334.499031
where:
bonds (distance) C4'-P energy: -79.252
bonds (distance) P-C4' energy: -83.397
flat angles C4'-P-C4' energy: -83.246
flat angles P-C4'-P energy: -49.492
tors. eta vs tors. theta energy: -39.112
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: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -612.874336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.874336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.874336 (E_RNA)
where:
Base-Base interactions energy: -341.857
where: short stacking energy: -169.594
Base-Backbone interact. energy: -1.750
local terms energy: -269.266991
where:
bonds (distance) C4'-P energy: -78.479
bonds (distance) P-C4' energy: -70.969
flat angles C4'-P-C4' energy: -73.520
flat angles P-C4'-P energy: -41.895
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1571.542345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.542345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.542345 (E_RNA)
where:
Base-Base interactions energy: -1091.341
where: short stacking energy: -457.283
Base-Backbone interact. energy: -2.735
local terms energy: -477.466678
where:
bonds (distance) C4'-P energy: -97.347
bonds (distance) P-C4' energy: -87.355
flat angles C4'-P-C4' energy: -103.803
flat angles P-C4'-P energy: -65.844
tors. eta vs tors. theta energy: -123.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1507.530205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.530205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.530205 (E_RNA)
where:
Base-Base interactions energy: -1052.007
where: short stacking energy: -429.885
Base-Backbone interact. energy: -4.106
local terms energy: -451.416582
where:
bonds (distance) C4'-P energy: -84.039
bonds (distance) P-C4' energy: -92.693
flat angles C4'-P-C4' energy: -93.717
flat angles P-C4'-P energy: -66.163
tors. eta vs tors. theta energy: -114.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1462.871261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.871261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.871261 (E_RNA)
where:
Base-Base interactions energy: -996.213
where: short stacking energy: -433.901
Base-Backbone interact. energy: -1.938
local terms energy: -464.719551
where:
bonds (distance) C4'-P energy: -85.333
bonds (distance) P-C4' energy: -90.345
flat angles C4'-P-C4' energy: -107.688
flat angles P-C4'-P energy: -64.868
tors. eta vs tors. theta energy: -116.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1331.540572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.540572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.540572 (E_RNA)
where:
Base-Base interactions energy: -903.300
where: short stacking energy: -396.500
Base-Backbone interact. energy: -3.255
local terms energy: -424.985622
where:
bonds (distance) C4'-P energy: -78.094
bonds (distance) P-C4' energy: -78.897
flat angles C4'-P-C4' energy: -100.432
flat angles P-C4'-P energy: -53.806
tors. eta vs tors. theta energy: -113.758
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: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1253.410535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.410535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.410535 (E_RNA)
where:
Base-Base interactions energy: -836.428
where: short stacking energy: -359.704
Base-Backbone interact. energy: -0.931
local terms energy: -416.051530
where:
bonds (distance) C4'-P energy: -78.752
bonds (distance) P-C4' energy: -83.217
flat angles C4'-P-C4' energy: -94.212
flat angles P-C4'-P energy: -65.882
tors. eta vs tors. theta energy: -93.989
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: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1316.239784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.239784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.239784 (E_RNA)
where:
Base-Base interactions energy: -906.019
where: short stacking energy: -391.439
Base-Backbone interact. energy: -0.300
local terms energy: -409.921130
where:
bonds (distance) C4'-P energy: -79.934
bonds (distance) P-C4' energy: -65.937
flat angles C4'-P-C4' energy: -97.761
flat angles P-C4'-P energy: -61.225
tors. eta vs tors. theta energy: -105.063
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: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1027.665259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.665259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.665259 (E_RNA)
where:
Base-Base interactions energy: -670.247
where: short stacking energy: -294.412
Base-Backbone interact. energy: -1.313
local terms energy: -356.105938
where:
bonds (distance) C4'-P energy: -83.713
bonds (distance) P-C4' energy: -82.764
flat angles C4'-P-C4' energy: -89.168
flat angles P-C4'-P energy: -56.634
tors. eta vs tors. theta energy: -43.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -769.546108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.546108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.546108 (E_RNA)
where:
Base-Base interactions energy: -468.647
where: short stacking energy: -240.929
Base-Backbone interact. energy: 1.681
local terms energy: -302.580203
where:
bonds (distance) C4'-P energy: -71.773
bonds (distance) P-C4' energy: -68.334
flat angles C4'-P-C4' energy: -68.646
flat angles P-C4'-P energy: -53.350
tors. eta vs tors. theta energy: -40.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -819.281315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.281315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.281315 (E_RNA)
where:
Base-Base interactions energy: -536.010
where: short stacking energy: -243.985
Base-Backbone interact. energy: -1.102
local terms energy: -282.168735
where:
bonds (distance) C4'-P energy: -61.261
bonds (distance) P-C4' energy: -72.395
flat angles C4'-P-C4' energy: -72.967
flat angles P-C4'-P energy: -41.196
tors. eta vs tors. theta energy: -34.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -622.122977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.122977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.122977 (E_RNA)
where:
Base-Base interactions energy: -370.859
where: short stacking energy: -192.095
Base-Backbone interact. energy: -0.868
local terms energy: -250.396278
where:
bonds (distance) C4'-P energy: -81.967
bonds (distance) P-C4' energy: -55.081
flat angles C4'-P-C4' energy: -61.863
flat angles P-C4'-P energy: -31.636
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1530.512691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.512691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.512691 (E_RNA)
where:
Base-Base interactions energy: -1060.739
where: short stacking energy: -447.066
Base-Backbone interact. energy: -0.731
local terms energy: -469.042087
where:
bonds (distance) C4'-P energy: -97.986
bonds (distance) P-C4' energy: -89.753
flat angles C4'-P-C4' energy: -94.167
flat angles P-C4'-P energy: -61.917
tors. eta vs tors. theta energy: -125.220
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: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1495.530161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.530161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.530161 (E_RNA)
where:
Base-Base interactions energy: -1032.882
where: short stacking energy: -433.391
Base-Backbone interact. energy: -0.079
local terms energy: -462.569527
where:
bonds (distance) C4'-P energy: -95.742
bonds (distance) P-C4' energy: -89.641
flat angles C4'-P-C4' energy: -100.934
flat angles P-C4'-P energy: -56.951
tors. eta vs tors. theta energy: -119.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1471.883585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.883585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.883585 (E_RNA)
where:
Base-Base interactions energy: -1022.028
where: short stacking energy: -419.066
Base-Backbone interact. energy: -3.881
local terms energy: -445.974717
where:
bonds (distance) C4'-P energy: -74.653
bonds (distance) P-C4' energy: -93.847
flat angles C4'-P-C4' energy: -98.272
flat angles P-C4'-P energy: -59.970
tors. eta vs tors. theta energy: -119.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1378.598499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.598499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.598499 (E_RNA)
where:
Base-Base interactions energy: -931.050
where: short stacking energy: -427.390
Base-Backbone interact. energy: -2.421
local terms energy: -445.127586
where:
bonds (distance) C4'-P energy: -76.061
bonds (distance) P-C4' energy: -94.317
flat angles C4'-P-C4' energy: -100.207
flat angles P-C4'-P energy: -53.356
tors. eta vs tors. theta energy: -121.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1218.321222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.321222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.321222 (E_RNA)
where:
Base-Base interactions energy: -842.842
where: short stacking energy: -350.845
Base-Backbone interact. energy: -1.481
local terms energy: -373.998324
where:
bonds (distance) C4'-P energy: -84.240
bonds (distance) P-C4' energy: -77.525
flat angles C4'-P-C4' energy: -77.505
flat angles P-C4'-P energy: -54.372
tors. eta vs tors. theta energy: -80.357
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: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1238.840147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.840147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.840147 (E_RNA)
where:
Base-Base interactions energy: -848.682
where: short stacking energy: -368.573
Base-Backbone interact. energy: -0.751
local terms energy: -389.407140
where:
bonds (distance) C4'-P energy: -80.306
bonds (distance) P-C4' energy: -74.001
flat angles C4'-P-C4' energy: -86.076
flat angles P-C4'-P energy: -55.200
tors. eta vs tors. theta energy: -93.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1016.348423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.348423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.348423 (E_RNA)
where:
Base-Base interactions energy: -655.620
where: short stacking energy: -306.024
Base-Backbone interact. energy: -1.368
local terms energy: -359.360169
where:
bonds (distance) C4'-P energy: -64.914
bonds (distance) P-C4' energy: -95.982
flat angles C4'-P-C4' energy: -78.707
flat angles P-C4'-P energy: -59.320
tors. eta vs tors. theta energy: -60.437
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: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -815.334905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.334905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.334905 (E_RNA)
where:
Base-Base interactions energy: -517.067
where: short stacking energy: -240.687
Base-Backbone interact. energy: -2.831
local terms energy: -295.437513
where:
bonds (distance) C4'-P energy: -85.459
bonds (distance) P-C4' energy: -74.658
flat angles C4'-P-C4' energy: -59.709
flat angles P-C4'-P energy: -43.915
tors. eta vs tors. theta energy: -31.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -743.125539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.125539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.125539 (E_RNA)
where:
Base-Base interactions energy: -446.604
where: short stacking energy: -211.854
Base-Backbone interact. energy: -2.197
local terms energy: -294.324847
where:
bonds (distance) C4'-P energy: -80.240
bonds (distance) P-C4' energy: -83.109
flat angles C4'-P-C4' energy: -74.188
flat angles P-C4'-P energy: -32.972
tors. eta vs tors. theta energy: -23.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -658.689607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.689607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.689607 (E_RNA)
where:
Base-Base interactions energy: -370.572
where: short stacking energy: -214.836
Base-Backbone interact. energy: -1.387
local terms energy: -286.729936
where:
bonds (distance) C4'-P energy: -70.706
bonds (distance) P-C4' energy: -87.349
flat angles C4'-P-C4' energy: -51.021
flat angles P-C4'-P energy: -47.008
tors. eta vs tors. theta energy: -30.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1560.456662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.456662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.456662 (E_RNA)
where:
Base-Base interactions energy: -1079.515
where: short stacking energy: -456.262
Base-Backbone interact. energy: -1.610
local terms energy: -479.332073
where:
bonds (distance) C4'-P energy: -99.627
bonds (distance) P-C4' energy: -96.693
flat angles C4'-P-C4' energy: -100.351
flat angles P-C4'-P energy: -66.298
tors. eta vs tors. theta energy: -116.362
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: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1543.688284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.688284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.688284 (E_RNA)
where:
Base-Base interactions energy: -1082.087
where: short stacking energy: -458.052
Base-Backbone interact. energy: -3.277
local terms energy: -458.324400
where:
bonds (distance) C4'-P energy: -80.823
bonds (distance) P-C4' energy: -90.157
flat angles C4'-P-C4' energy: -97.509
flat angles P-C4'-P energy: -60.259
tors. eta vs tors. theta energy: -129.577
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: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1492.980498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.980498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.980498 (E_RNA)
where:
Base-Base interactions energy: -1024.515
where: short stacking energy: -440.500
Base-Backbone interact. energy: -2.706
local terms energy: -465.759833
where:
bonds (distance) C4'-P energy: -92.480
bonds (distance) P-C4' energy: -93.165
flat angles C4'-P-C4' energy: -101.964
flat angles P-C4'-P energy: -63.276
tors. eta vs tors. theta energy: -114.875
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: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1348.958087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.958087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.958087 (E_RNA)
where:
Base-Base interactions energy: -905.526
where: short stacking energy: -399.220
Base-Backbone interact. energy: 1.111
local terms energy: -444.542808
where:
bonds (distance) C4'-P energy: -77.474
bonds (distance) P-C4' energy: -88.026
flat angles C4'-P-C4' energy: -94.521
flat angles P-C4'-P energy: -64.240
tors. eta vs tors. theta energy: -120.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1293.730106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.730106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.730106 (E_RNA)
where:
Base-Base interactions energy: -884.888
where: short stacking energy: -404.224
Base-Backbone interact. energy: -0.261
local terms energy: -408.581716
where:
bonds (distance) C4'-P energy: -80.019
bonds (distance) P-C4' energy: -85.839
flat angles C4'-P-C4' energy: -84.178
flat angles P-C4'-P energy: -56.662
tors. eta vs tors. theta energy: -101.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1210.976552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.976552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.976552 (E_RNA)
where:
Base-Base interactions energy: -803.819
where: short stacking energy: -336.773
Base-Backbone interact. energy: 4.244
local terms energy: -411.402081
where:
bonds (distance) C4'-P energy: -77.595
bonds (distance) P-C4' energy: -86.761
flat angles C4'-P-C4' energy: -87.942
flat angles P-C4'-P energy: -63.911
tors. eta vs tors. theta energy: -95.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1028.227174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.227174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.227174 (E_RNA)
where:
Base-Base interactions energy: -647.737
where: short stacking energy: -303.631
Base-Backbone interact. energy: -1.078
local terms energy: -379.411607
where:
bonds (distance) C4'-P energy: -78.212
bonds (distance) P-C4' energy: -76.687
flat angles C4'-P-C4' energy: -95.095
flat angles P-C4'-P energy: -62.453
tors. eta vs tors. theta energy: -66.964
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: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -865.081053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.081053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.081053 (E_RNA)
where:
Base-Base interactions energy: -561.756
where: short stacking energy: -263.720
Base-Backbone interact. energy: 0.130
local terms energy: -303.454543
where:
bonds (distance) C4'-P energy: -75.603
bonds (distance) P-C4' energy: -76.100
flat angles C4'-P-C4' energy: -66.425
flat angles P-C4'-P energy: -41.167
tors. eta vs tors. theta energy: -44.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -783.448890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.448890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.448890 (E_RNA)
where:
Base-Base interactions energy: -463.458
where: short stacking energy: -210.939
Base-Backbone interact. energy: 0.874
local terms energy: -320.864679
where:
bonds (distance) C4'-P energy: -74.845
bonds (distance) P-C4' energy: -86.671
flat angles C4'-P-C4' energy: -76.889
flat angles P-C4'-P energy: -51.323
tors. eta vs tors. theta energy: -31.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -591.511967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.511967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.511967 (E_RNA)
where:
Base-Base interactions energy: -321.193
where: short stacking energy: -183.940
Base-Backbone interact. energy: 0.854
local terms energy: -271.172376
where:
bonds (distance) C4'-P energy: -67.736
bonds (distance) P-C4' energy: -86.753
flat angles C4'-P-C4' energy: -60.457
flat angles P-C4'-P energy: -49.426
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1555.611989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.611989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.611989 (E_RNA)
where:
Base-Base interactions energy: -1088.537
where: short stacking energy: -451.603
Base-Backbone interact. energy: -3.364
local terms energy: -463.710889
where:
bonds (distance) C4'-P energy: -82.763
bonds (distance) P-C4' energy: -103.442
flat angles C4'-P-C4' energy: -92.039
flat angles P-C4'-P energy: -61.879
tors. eta vs tors. theta energy: -123.589
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: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1518.849460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.849460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.849460 (E_RNA)
where:
Base-Base interactions energy: -1067.778
where: short stacking energy: -429.172
Base-Backbone interact. energy: -0.366
local terms energy: -450.705582
where:
bonds (distance) C4'-P energy: -88.580
bonds (distance) P-C4' energy: -92.637
flat angles C4'-P-C4' energy: -102.578
flat angles P-C4'-P energy: -50.991
tors. eta vs tors. theta energy: -115.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1445.084820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.084820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.084820 (E_RNA)
where:
Base-Base interactions energy: -1000.444
where: short stacking energy: -413.432
Base-Backbone interact. energy: 1.416
local terms energy: -446.056449
where:
bonds (distance) C4'-P energy: -95.495
bonds (distance) P-C4' energy: -88.125
flat angles C4'-P-C4' energy: -103.149
flat angles P-C4'-P energy: -57.117
tors. eta vs tors. theta energy: -102.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1373.608046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.608046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.608046 (E_RNA)
where:
Base-Base interactions energy: -936.239
where: short stacking energy: -403.213
Base-Backbone interact. energy: 3.101
local terms energy: -440.470830
where:
bonds (distance) C4'-P energy: -66.112
bonds (distance) P-C4' energy: -79.866
flat angles C4'-P-C4' energy: -99.080
flat angles P-C4'-P energy: -72.947
tors. eta vs tors. theta energy: -122.466
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: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1346.691457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.691457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.691457 (E_RNA)
where:
Base-Base interactions energy: -907.170
where: short stacking energy: -403.837
Base-Backbone interact. energy: -1.677
local terms energy: -437.844333
where:
bonds (distance) C4'-P energy: -91.411
bonds (distance) P-C4' energy: -83.938
flat angles C4'-P-C4' energy: -95.495
flat angles P-C4'-P energy: -58.748
tors. eta vs tors. theta energy: -108.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1229.911112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.911112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.911112 (E_RNA)
where:
Base-Base interactions energy: -812.061
where: short stacking energy: -377.255
Base-Backbone interact. energy: -1.366
local terms energy: -416.485058
where:
bonds (distance) C4'-P energy: -80.728
bonds (distance) P-C4' energy: -76.034
flat angles C4'-P-C4' energy: -85.169
flat angles P-C4'-P energy: -61.429
tors. eta vs tors. theta energy: -113.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -972.324435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.324435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.324435 (E_RNA)
where:
Base-Base interactions energy: -617.601
where: short stacking energy: -304.434
Base-Backbone interact. energy: 0.358
local terms energy: -355.081660
where:
bonds (distance) C4'-P energy: -67.660
bonds (distance) P-C4' energy: -92.927
flat angles C4'-P-C4' energy: -87.633
flat angles P-C4'-P energy: -45.891
tors. eta vs tors. theta energy: -60.970
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: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -878.846373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.846373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.846373 (E_RNA)
where:
Base-Base interactions energy: -552.674
where: short stacking energy: -241.802
Base-Backbone interact. energy: -0.867
local terms energy: -325.305713
where:
bonds (distance) C4'-P energy: -81.207
bonds (distance) P-C4' energy: -73.779
flat angles C4'-P-C4' energy: -80.647
flat angles P-C4'-P energy: -44.719
tors. eta vs tors. theta energy: -44.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -763.680144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.680144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.680144 (E_RNA)
where:
Base-Base interactions energy: -460.173
where: short stacking energy: -223.471
Base-Backbone interact. energy: 1.950
local terms energy: -305.456807
where:
bonds (distance) C4'-P energy: -80.805
bonds (distance) P-C4' energy: -83.559
flat angles C4'-P-C4' energy: -69.093
flat angles P-C4'-P energy: -47.658
tors. eta vs tors. theta energy: -24.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -583.138132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.138132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.138132 (E_RNA)
where:
Base-Base interactions energy: -320.918
where: short stacking energy: -150.256
Base-Backbone interact. energy: -1.275
local terms energy: -260.945154
where:
bonds (distance) C4'-P energy: -61.925
bonds (distance) P-C4' energy: -89.604
flat angles C4'-P-C4' energy: -81.097
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: 6.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1583.678658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.678658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.678658 (E_RNA)
where:
Base-Base interactions energy: -1108.147
where: short stacking energy: -452.043
Base-Backbone interact. energy: -2.770
local terms energy: -472.761266
where:
bonds (distance) C4'-P energy: -86.203
bonds (distance) P-C4' energy: -101.682
flat angles C4'-P-C4' energy: -95.190
flat angles P-C4'-P energy: -55.136
tors. eta vs tors. theta energy: -134.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1523.172075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.172075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.172075 (E_RNA)
where:
Base-Base interactions energy: -1065.611
where: short stacking energy: -450.918
Base-Backbone interact. energy: 1.595
local terms energy: -459.156237
where:
bonds (distance) C4'-P energy: -91.822
bonds (distance) P-C4' energy: -92.437
flat angles C4'-P-C4' energy: -99.613
flat angles P-C4'-P energy: -56.146
tors. eta vs tors. theta energy: -119.138
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: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1464.809427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.809427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.809427 (E_RNA)
where:
Base-Base interactions energy: -1015.075
where: short stacking energy: -412.165
Base-Backbone interact. energy: 0.214
local terms energy: -449.948540
where:
bonds (distance) C4'-P energy: -90.212
bonds (distance) P-C4' energy: -90.491
flat angles C4'-P-C4' energy: -99.876
flat angles P-C4'-P energy: -68.343
tors. eta vs tors. theta energy: -101.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1419.854781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.854781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.854781 (E_RNA)
where:
Base-Base interactions energy: -947.474
where: short stacking energy: -426.027
Base-Backbone interact. energy: -0.473
local terms energy: -471.907988
where:
bonds (distance) C4'-P energy: -85.211
bonds (distance) P-C4' energy: -87.005
flat angles C4'-P-C4' energy: -99.082
flat angles P-C4'-P energy: -69.054
tors. eta vs tors. theta energy: -131.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1366.958306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.958306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.958306 (E_RNA)
where:
Base-Base interactions energy: -938.584
where: short stacking energy: -405.043
Base-Backbone interact. energy: -0.134
local terms energy: -428.240096
where:
bonds (distance) C4'-P energy: -71.442
bonds (distance) P-C4' energy: -86.732
flat angles C4'-P-C4' energy: -96.475
flat angles P-C4'-P energy: -52.628
tors. eta vs tors. theta energy: -120.962
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: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1239.585796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.585796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.585796 (E_RNA)
where:
Base-Base interactions energy: -834.459
where: short stacking energy: -369.389
Base-Backbone interact. energy: -2.206
local terms energy: -402.921084
where:
bonds (distance) C4'-P energy: -82.842
bonds (distance) P-C4' energy: -88.084
flat angles C4'-P-C4' energy: -85.772
flat angles P-C4'-P energy: -45.872
tors. eta vs tors. theta energy: -100.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1029.854230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.854230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.854230 (E_RNA)
where:
Base-Base interactions energy: -694.241
where: short stacking energy: -307.766
Base-Backbone interact. energy: -1.039
local terms energy: -334.574015
where:
bonds (distance) C4'-P energy: -75.576
bonds (distance) P-C4' energy: -69.352
flat angles C4'-P-C4' energy: -89.653
flat angles P-C4'-P energy: -40.801
tors. eta vs tors. theta energy: -59.191
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: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -837.411814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.411814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.411814 (E_RNA)
where:
Base-Base interactions energy: -520.019
where: short stacking energy: -244.023
Base-Backbone interact. energy: 2.377
local terms energy: -319.769403
where:
bonds (distance) C4'-P energy: -82.902
bonds (distance) P-C4' energy: -77.870
flat angles C4'-P-C4' energy: -81.986
flat angles P-C4'-P energy: -39.113
tors. eta vs tors. theta energy: -37.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -753.245763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.245763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.245763 (E_RNA)
where:
Base-Base interactions energy: -433.076
where: short stacking energy: -212.984
Base-Backbone interact. energy: 0.723
local terms energy: -320.892440
where:
bonds (distance) C4'-P energy: -74.705
bonds (distance) P-C4' energy: -78.931
flat angles C4'-P-C4' energy: -81.775
flat angles P-C4'-P energy: -51.028
tors. eta vs tors. theta energy: -34.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -573.138786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.138786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.138786 (E_RNA)
where:
Base-Base interactions energy: -303.479
where: short stacking energy: -182.324
Base-Backbone interact. energy: -1.862
local terms energy: -267.797976
where:
bonds (distance) C4'-P energy: -80.255
bonds (distance) P-C4' energy: -58.274
flat angles C4'-P-C4' energy: -80.704
flat angles P-C4'-P energy: -42.141
tors. eta vs tors. theta energy: -6.424
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: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1601.216256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.216256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.216256 (E_RNA)
where:
Base-Base interactions energy: -1121.546
where: short stacking energy: -451.727
Base-Backbone interact. energy: -3.334
local terms energy: -476.336388
where:
bonds (distance) C4'-P energy: -92.988
bonds (distance) P-C4' energy: -92.327
flat angles C4'-P-C4' energy: -97.884
flat angles P-C4'-P energy: -67.833
tors. eta vs tors. theta energy: -125.304
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: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1557.031259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.031259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.031259 (E_RNA)
where:
Base-Base interactions energy: -1081.898
where: short stacking energy: -465.912
Base-Backbone interact. energy: -0.457
local terms energy: -474.676291
where:
bonds (distance) C4'-P energy: -85.398
bonds (distance) P-C4' energy: -95.618
flat angles C4'-P-C4' energy: -104.543
flat angles P-C4'-P energy: -51.144
tors. eta vs tors. theta energy: -137.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1465.136302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.136302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.136302 (E_RNA)
where:
Base-Base interactions energy: -1022.790
where: short stacking energy: -434.099
Base-Backbone interact. energy: -1.604
local terms energy: -440.742247
where:
bonds (distance) C4'-P energy: -84.455
bonds (distance) P-C4' energy: -87.473
flat angles C4'-P-C4' energy: -83.023
flat angles P-C4'-P energy: -68.005
tors. eta vs tors. theta energy: -117.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1380.733716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.733716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.733716 (E_RNA)
where:
Base-Base interactions energy: -944.229
where: short stacking energy: -414.589
Base-Backbone interact. energy: -1.086
local terms energy: -435.418727
where:
bonds (distance) C4'-P energy: -92.741
bonds (distance) P-C4' energy: -75.922
flat angles C4'-P-C4' energy: -89.005
flat angles P-C4'-P energy: -55.288
tors. eta vs tors. theta energy: -122.463
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: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1314.363949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.363949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.363949 (E_RNA)
where:
Base-Base interactions energy: -868.077
where: short stacking energy: -385.321
Base-Backbone interact. energy: 0.863
local terms energy: -447.150411
where:
bonds (distance) C4'-P energy: -90.159
bonds (distance) P-C4' energy: -99.635
flat angles C4'-P-C4' energy: -90.191
flat angles P-C4'-P energy: -62.326
tors. eta vs tors. theta energy: -104.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1198.618265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.618265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.618265 (E_RNA)
where:
Base-Base interactions energy: -810.550
where: short stacking energy: -373.773
Base-Backbone interact. energy: 0.603
local terms energy: -388.671007
where:
bonds (distance) C4'-P energy: -66.427
bonds (distance) P-C4' energy: -75.738
flat angles C4'-P-C4' energy: -84.007
flat angles P-C4'-P energy: -61.297
tors. eta vs tors. theta energy: -101.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1026.675619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.675619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.675619 (E_RNA)
where:
Base-Base interactions energy: -666.046
where: short stacking energy: -312.653
Base-Backbone interact. energy: 0.791
local terms energy: -361.420442
where:
bonds (distance) C4'-P energy: -70.380
bonds (distance) P-C4' energy: -76.394
flat angles C4'-P-C4' energy: -91.236
flat angles P-C4'-P energy: -60.066
tors. eta vs tors. theta energy: -63.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -847.998638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.998638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.998638 (E_RNA)
where:
Base-Base interactions energy: -531.356
where: short stacking energy: -255.292
Base-Backbone interact. energy: -2.298
local terms energy: -314.345186
where:
bonds (distance) C4'-P energy: -74.144
bonds (distance) P-C4' energy: -79.806
flat angles C4'-P-C4' energy: -70.504
flat angles P-C4'-P energy: -43.011
tors. eta vs tors. theta energy: -46.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -718.429913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.429913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.429913 (E_RNA)
where:
Base-Base interactions energy: -436.214
where: short stacking energy: -206.101
Base-Backbone interact. energy: -0.050
local terms energy: -282.165868
where:
bonds (distance) C4'-P energy: -73.285
bonds (distance) P-C4' energy: -82.014
flat angles C4'-P-C4' energy: -68.321
flat angles P-C4'-P energy: -38.312
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -660.452578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.452578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.452578 (E_RNA)
where:
Base-Base interactions energy: -403.584
where: short stacking energy: -184.621
Base-Backbone interact. energy: -0.497
local terms energy: -256.370930
where:
bonds (distance) C4'-P energy: -64.484
bonds (distance) P-C4' energy: -73.157
flat angles C4'-P-C4' energy: -58.448
flat angles P-C4'-P energy: -46.817
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: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1575.639647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.639647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.639647 (E_RNA)
where:
Base-Base interactions energy: -1097.347
where: short stacking energy: -463.645
Base-Backbone interact. energy: -0.100
local terms energy: -478.193223
where:
bonds (distance) C4'-P energy: -86.888
bonds (distance) P-C4' energy: -92.284
flat angles C4'-P-C4' energy: -108.259
flat angles P-C4'-P energy: -67.551
tors. eta vs tors. theta energy: -123.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1540.249423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.249423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.249423 (E_RNA)
where:
Base-Base interactions energy: -1075.910
where: short stacking energy: -449.350
Base-Backbone interact. energy: -2.976
local terms energy: -461.363602
where:
bonds (distance) C4'-P energy: -78.819
bonds (distance) P-C4' energy: -100.105
flat angles C4'-P-C4' energy: -97.616
flat angles P-C4'-P energy: -64.504
tors. eta vs tors. theta energy: -120.320
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: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1498.899093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.899093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.899093 (E_RNA)
where:
Base-Base interactions energy: -1042.769
where: short stacking energy: -426.913
Base-Backbone interact. energy: -2.268
local terms energy: -453.862222
where:
bonds (distance) C4'-P energy: -68.455
bonds (distance) P-C4' energy: -90.765
flat angles C4'-P-C4' energy: -102.388
flat angles P-C4'-P energy: -72.293
tors. eta vs tors. theta energy: -119.962
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: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1359.240065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.240065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.240065 (E_RNA)
where:
Base-Base interactions energy: -900.944
where: short stacking energy: -403.889
Base-Backbone interact. energy: -1.980
local terms energy: -456.316003
where:
bonds (distance) C4'-P energy: -85.500
bonds (distance) P-C4' energy: -90.787
flat angles C4'-P-C4' energy: -103.859
flat angles P-C4'-P energy: -59.518
tors. eta vs tors. theta energy: -116.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1307.258815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.258815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.258815 (E_RNA)
where:
Base-Base interactions energy: -897.495
where: short stacking energy: -420.741
Base-Backbone interact. energy: 0.425
local terms energy: -410.188896
where:
bonds (distance) C4'-P energy: -82.034
bonds (distance) P-C4' energy: -79.381
flat angles C4'-P-C4' energy: -87.805
flat angles P-C4'-P energy: -54.730
tors. eta vs tors. theta energy: -106.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1182.706505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.706505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.706505 (E_RNA)
where:
Base-Base interactions energy: -811.028
where: short stacking energy: -350.910
Base-Backbone interact. energy: -0.066
local terms energy: -371.612925
where:
bonds (distance) C4'-P energy: -69.923
bonds (distance) P-C4' energy: -75.243
flat angles C4'-P-C4' energy: -85.007
flat angles P-C4'-P energy: -55.656
tors. eta vs tors. theta energy: -85.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1039.377580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.377580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.377580 (E_RNA)
where:
Base-Base interactions energy: -666.067
where: short stacking energy: -295.616
Base-Backbone interact. energy: -3.014
local terms energy: -370.296496
where:
bonds (distance) C4'-P energy: -82.686
bonds (distance) P-C4' energy: -80.551
flat angles C4'-P-C4' energy: -85.964
flat angles P-C4'-P energy: -55.169
tors. eta vs tors. theta energy: -65.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -859.700693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.700693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.700693 (E_RNA)
where:
Base-Base interactions energy: -535.698
where: short stacking energy: -256.607
Base-Backbone interact. energy: 4.918
local terms energy: -328.920465
where:
bonds (distance) C4'-P energy: -78.317
bonds (distance) P-C4' energy: -88.114
flat angles C4'-P-C4' energy: -71.926
flat angles P-C4'-P energy: -42.340
tors. eta vs tors. theta energy: -48.224
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: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -756.183447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.183447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.183447 (E_RNA)
where:
Base-Base interactions energy: -461.316
where: short stacking energy: -222.536
Base-Backbone interact. energy: 5.918
local terms energy: -300.785416
where:
bonds (distance) C4'-P energy: -72.939
bonds (distance) P-C4' energy: -83.167
flat angles C4'-P-C4' energy: -75.079
flat angles P-C4'-P energy: -48.064
tors. eta vs tors. theta energy: -21.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -692.956059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.956059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.956059 (E_RNA)
where:
Base-Base interactions energy: -394.610
where: short stacking energy: -183.591
Base-Backbone interact. energy: -2.522
local terms energy: -295.823526
where:
bonds (distance) C4'-P energy: -68.578
bonds (distance) P-C4' energy: -91.552
flat angles C4'-P-C4' energy: -79.674
flat angles P-C4'-P energy: -38.501
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: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1590.348369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.348369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.348369 (E_RNA)
where:
Base-Base interactions energy: -1087.469
where: short stacking energy: -454.712
Base-Backbone interact. energy: -0.843
local terms energy: -502.036043
where:
bonds (distance) C4'-P energy: -93.579
bonds (distance) P-C4' energy: -97.538
flat angles C4'-P-C4' energy: -113.266
flat angles P-C4'-P energy: -71.667
tors. eta vs tors. theta energy: -125.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1548.604133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.604133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.604133 (E_RNA)
where:
Base-Base interactions energy: -1090.077
where: short stacking energy: -459.578
Base-Backbone interact. energy: 0.417
local terms energy: -458.943950
where:
bonds (distance) C4'-P energy: -83.373
bonds (distance) P-C4' energy: -89.092
flat angles C4'-P-C4' energy: -103.911
flat angles P-C4'-P energy: -55.825
tors. eta vs tors. theta energy: -126.744
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: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1474.207718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.207718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.207718 (E_RNA)
where:
Base-Base interactions energy: -1032.572
where: short stacking energy: -433.123
Base-Backbone interact. energy: 1.609
local terms energy: -443.244194
where:
bonds (distance) C4'-P energy: -77.065
bonds (distance) P-C4' energy: -84.614
flat angles C4'-P-C4' energy: -96.756
flat angles P-C4'-P energy: -60.760
tors. eta vs tors. theta energy: -124.050
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: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1392.829255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.829255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.829255 (E_RNA)
where:
Base-Base interactions energy: -961.232
where: short stacking energy: -428.324
Base-Backbone interact. energy: -1.094
local terms energy: -430.503669
where:
bonds (distance) C4'-P energy: -88.855
bonds (distance) P-C4' energy: -82.415
flat angles C4'-P-C4' energy: -91.332
flat angles P-C4'-P energy: -47.993
tors. eta vs tors. theta energy: -119.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1357.232079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.232079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.232079 (E_RNA)
where:
Base-Base interactions energy: -940.672
where: short stacking energy: -418.562
Base-Backbone interact. energy: -0.097
local terms energy: -416.463016
where:
bonds (distance) C4'-P energy: -74.404
bonds (distance) P-C4' energy: -73.430
flat angles C4'-P-C4' energy: -96.479
flat angles P-C4'-P energy: -60.058
tors. eta vs tors. theta energy: -112.093
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: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1107.311324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.311324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.311324 (E_RNA)
where:
Base-Base interactions energy: -736.187
where: short stacking energy: -321.840
Base-Backbone interact. energy: 1.055
local terms energy: -372.179461
where:
bonds (distance) C4'-P energy: -76.018
bonds (distance) P-C4' energy: -75.617
flat angles C4'-P-C4' energy: -87.383
flat angles P-C4'-P energy: -61.544
tors. eta vs tors. theta energy: -71.617
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: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1020.358972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.358972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.358972 (E_RNA)
where:
Base-Base interactions energy: -687.633
where: short stacking energy: -316.156
Base-Backbone interact. energy: 2.628
local terms energy: -335.354478
where:
bonds (distance) C4'-P energy: -81.337
bonds (distance) P-C4' energy: -76.635
flat angles C4'-P-C4' energy: -92.428
flat angles P-C4'-P energy: -29.505
tors. eta vs tors. theta energy: -55.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -763.621903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.621903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.621903 (E_RNA)
where:
Base-Base interactions energy: -464.808
where: short stacking energy: -243.684
Base-Backbone interact. energy: -1.405
local terms energy: -297.408344
where:
bonds (distance) C4'-P energy: -68.221
bonds (distance) P-C4' energy: -84.503
flat angles C4'-P-C4' energy: -77.479
flat angles P-C4'-P energy: -38.936
tors. eta vs tors. theta energy: -28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -774.377152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.377152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.377152 (E_RNA)
where:
Base-Base interactions energy: -469.216
where: short stacking energy: -223.744
Base-Backbone interact. energy: 5.049
local terms energy: -310.210012
where:
bonds (distance) C4'-P energy: -80.002
bonds (distance) P-C4' energy: -77.734
flat angles C4'-P-C4' energy: -69.646
flat angles P-C4'-P energy: -44.974
tors. eta vs tors. theta energy: -37.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -684.696883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.696883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.696883 (E_RNA)
where:
Base-Base interactions energy: -409.936
where: short stacking energy: -185.206
Base-Backbone interact. energy: 4.411
local terms energy: -279.171573
where:
bonds (distance) C4'-P energy: -67.435
bonds (distance) P-C4' energy: -83.016
flat angles C4'-P-C4' energy: -67.211
flat angles P-C4'-P energy: -44.966
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1572.708033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.708033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.708033 (E_RNA)
where:
Base-Base interactions energy: -1097.757
where: short stacking energy: -471.266
Base-Backbone interact. energy: -0.241
local terms energy: -474.710484
where:
bonds (distance) C4'-P energy: -82.193
bonds (distance) P-C4' energy: -95.271
flat angles C4'-P-C4' energy: -93.668
flat angles P-C4'-P energy: -72.895
tors. eta vs tors. theta energy: -130.684
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: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1514.734647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.734647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.734647 (E_RNA)
where:
Base-Base interactions energy: -1049.463
where: short stacking energy: -442.681
Base-Backbone interact. energy: -4.179
local terms energy: -461.093508
where:
bonds (distance) C4'-P energy: -80.260
bonds (distance) P-C4' energy: -90.575
flat angles C4'-P-C4' energy: -106.225
flat angles P-C4'-P energy: -64.414
tors. eta vs tors. theta energy: -119.620
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: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1451.069303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.069303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.069303 (E_RNA)
where:
Base-Base interactions energy: -1003.674
where: short stacking energy: -425.364
Base-Backbone interact. energy: -2.148
local terms energy: -445.247884
where:
bonds (distance) C4'-P energy: -88.527
bonds (distance) P-C4' energy: -88.776
flat angles C4'-P-C4' energy: -91.682
flat angles P-C4'-P energy: -66.413
tors. eta vs tors. theta energy: -109.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1365.571476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.571476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.571476 (E_RNA)
where:
Base-Base interactions energy: -920.069
where: short stacking energy: -425.698
Base-Backbone interact. energy: 2.712
local terms energy: -448.214696
where:
bonds (distance) C4'-P energy: -86.281
bonds (distance) P-C4' energy: -84.404
flat angles C4'-P-C4' energy: -105.543
flat angles P-C4'-P energy: -61.285
tors. eta vs tors. theta energy: -110.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1299.541752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.541752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.541752 (E_RNA)
where:
Base-Base interactions energy: -881.828
where: short stacking energy: -391.796
Base-Backbone interact. energy: -0.417
local terms energy: -417.297042
where:
bonds (distance) C4'-P energy: -90.312
bonds (distance) P-C4' energy: -69.524
flat angles C4'-P-C4' energy: -91.016
flat angles P-C4'-P energy: -59.109
tors. eta vs tors. theta energy: -107.336
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: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1130.196254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.196254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.196254 (E_RNA)
where:
Base-Base interactions energy: -758.292
where: short stacking energy: -323.448
Base-Backbone interact. energy: 1.170
local terms energy: -373.074332
where:
bonds (distance) C4'-P energy: -94.248
bonds (distance) P-C4' energy: -83.411
flat angles C4'-P-C4' energy: -87.378
flat angles P-C4'-P energy: -47.069
tors. eta vs tors. theta energy: -60.968
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: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -984.481021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.481021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.481021 (E_RNA)
where:
Base-Base interactions energy: -644.963
where: short stacking energy: -281.837
Base-Backbone interact. energy: 0.398
local terms energy: -339.915496
where:
bonds (distance) C4'-P energy: -83.295
bonds (distance) P-C4' energy: -80.535
flat angles C4'-P-C4' energy: -79.830
flat angles P-C4'-P energy: -40.297
tors. eta vs tors. theta energy: -55.958
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: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -754.703104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.703104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.703104 (E_RNA)
where:
Base-Base interactions energy: -445.245
where: short stacking energy: -218.430
Base-Backbone interact. energy: 2.721
local terms energy: -312.178461
where:
bonds (distance) C4'-P energy: -74.608
bonds (distance) P-C4' energy: -93.376
flat angles C4'-P-C4' energy: -75.202
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -28.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -823.693952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.693952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.693952 (E_RNA)
where:
Base-Base interactions energy: -561.280
where: short stacking energy: -259.287
Base-Backbone interact. energy: -0.574
local terms energy: -261.839585
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -75.589
flat angles C4'-P-C4' energy: -58.535
flat angles P-C4'-P energy: -36.605
tors. eta vs tors. theta energy: -42.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -651.564689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.564689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.564689 (E_RNA)
where:
Base-Base interactions energy: -369.851
where: short stacking energy: -199.673
Base-Backbone interact. energy: -2.530
local terms energy: -279.183132
where:
bonds (distance) C4'-P energy: -74.253
bonds (distance) P-C4' energy: -68.514
flat angles C4'-P-C4' energy: -70.457
flat angles P-C4'-P energy: -49.746
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1585.618323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.618323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.618323 (E_RNA)
where:
Base-Base interactions energy: -1111.722
where: short stacking energy: -462.699
Base-Backbone interact. energy: 3.105
local terms energy: -477.000732
where:
bonds (distance) C4'-P energy: -92.645
bonds (distance) P-C4' energy: -96.801
flat angles C4'-P-C4' energy: -100.965
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: -126.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1510.233264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.233264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.233264 (E_RNA)
where:
Base-Base interactions energy: -1070.194
where: short stacking energy: -437.811
Base-Backbone interact. energy: -3.696
local terms energy: -436.343675
where:
bonds (distance) C4'-P energy: -79.145
bonds (distance) P-C4' energy: -77.979
flat angles C4'-P-C4' energy: -95.399
flat angles P-C4'-P energy: -65.413
tors. eta vs tors. theta energy: -118.407
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: 389
Temperature: 1.000000
Total energy: -1474.336297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.336297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.336297 (E_RNA)
where:
Base-Base interactions energy: -1032.710
where: short stacking energy: -424.327
Base-Backbone interact. energy: -1.704
local terms energy: -439.921817
where:
bonds (distance) C4'-P energy: -83.785
bonds (distance) P-C4' energy: -83.481
flat angles C4'-P-C4' energy: -97.125
flat angles P-C4'-P energy: -58.614
tors. eta vs tors. theta energy: -116.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1350.885531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.885531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.885531 (E_RNA)
where:
Base-Base interactions energy: -913.499
where: short stacking energy: -425.955
Base-Backbone interact. energy: -2.730
local terms energy: -434.657487
where:
bonds (distance) C4'-P energy: -79.091
bonds (distance) P-C4' energy: -76.187
flat angles C4'-P-C4' energy: -95.962
flat angles P-C4'-P energy: -62.626
tors. eta vs tors. theta energy: -120.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1287.700678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.700678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.700678 (E_RNA)
where:
Base-Base interactions energy: -873.919
where: short stacking energy: -382.672
Base-Backbone interact. energy: -1.683
local terms energy: -412.098066
where:
bonds (distance) C4'-P energy: -76.603
bonds (distance) P-C4' energy: -78.776
flat angles C4'-P-C4' energy: -95.858
flat angles P-C4'-P energy: -62.390
tors. eta vs tors. theta energy: -98.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1150.159516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.159516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.159516 (E_RNA)
where:
Base-Base interactions energy: -747.267
where: short stacking energy: -362.164
Base-Backbone interact. energy: -1.407
local terms energy: -401.485465
where:
bonds (distance) C4'-P energy: -80.299
bonds (distance) P-C4' energy: -77.367
flat angles C4'-P-C4' energy: -90.371
flat angles P-C4'-P energy: -54.094
tors. eta vs tors. theta energy: -99.354
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: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -987.650475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.650475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.650475 (E_RNA)
where:
Base-Base interactions energy: -647.401
where: short stacking energy: -301.590
Base-Backbone interact. energy: -0.804
local terms energy: -339.445751
where:
bonds (distance) C4'-P energy: -63.651
bonds (distance) P-C4' energy: -74.442
flat angles C4'-P-C4' energy: -83.298
flat angles P-C4'-P energy: -57.056
tors. eta vs tors. theta energy: -60.999
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: 389
Temperature: 1.250000
Total energy: -862.514303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.514303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.514303 (E_RNA)
where:
Base-Base interactions energy: -541.431
where: short stacking energy: -244.062
Base-Backbone interact. energy: -0.677
local terms energy: -320.406492
where:
bonds (distance) C4'-P energy: -80.716
bonds (distance) P-C4' energy: -91.567
flat angles C4'-P-C4' energy: -68.199
flat angles P-C4'-P energy: -50.435
tors. eta vs tors. theta energy: -29.490
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: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -741.274148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.274148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.274148 (E_RNA)
where:
Base-Base interactions energy: -463.696
where: short stacking energy: -226.960
Base-Backbone interact. energy: -1.561
local terms energy: -276.016804
where:
bonds (distance) C4'-P energy: -72.664
bonds (distance) P-C4' energy: -64.892
flat angles C4'-P-C4' energy: -75.159
flat angles P-C4'-P energy: -39.857
tors. eta vs tors. theta energy: -23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -652.168478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.168478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.168478 (E_RNA)
where:
Base-Base interactions energy: -381.020
where: short stacking energy: -182.826
Base-Backbone interact. energy: 1.079
local terms energy: -272.227495
where:
bonds (distance) C4'-P energy: -67.849
bonds (distance) P-C4' energy: -90.389
flat angles C4'-P-C4' energy: -59.023
flat angles P-C4'-P energy: -39.006
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: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1553.244695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.244695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.244695 (E_RNA)
where:
Base-Base interactions energy: -1095.133
where: short stacking energy: -466.690
Base-Backbone interact. energy: 1.260
local terms energy: -459.372137
where:
bonds (distance) C4'-P energy: -79.535
bonds (distance) P-C4' energy: -90.171
flat angles C4'-P-C4' energy: -103.661
flat angles P-C4'-P energy: -64.871
tors. eta vs tors. theta energy: -121.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1515.546158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.546158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.546158 (E_RNA)
where:
Base-Base interactions energy: -1051.375
where: short stacking energy: -441.026
Base-Backbone interact. energy: 0.212
local terms energy: -464.383421
where:
bonds (distance) C4'-P energy: -82.519
bonds (distance) P-C4' energy: -92.113
flat angles C4'-P-C4' energy: -106.215
flat angles P-C4'-P energy: -58.925
tors. eta vs tors. theta energy: -124.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1476.159238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.159238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.159238 (E_RNA)
where:
Base-Base interactions energy: -1002.358
where: short stacking energy: -426.844
Base-Backbone interact. energy: -2.509
local terms energy: -471.292763
where:
bonds (distance) C4'-P energy: -87.089
bonds (distance) P-C4' energy: -87.459
flat angles C4'-P-C4' energy: -103.648
flat angles P-C4'-P energy: -65.466
tors. eta vs tors. theta energy: -127.630
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: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1368.659854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.659854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.659854 (E_RNA)
where:
Base-Base interactions energy: -934.343
where: short stacking energy: -405.703
Base-Backbone interact. energy: -2.309
local terms energy: -432.007514
where:
bonds (distance) C4'-P energy: -71.967
bonds (distance) P-C4' energy: -93.102
flat angles C4'-P-C4' energy: -90.444
flat angles P-C4'-P energy: -62.122
tors. eta vs tors. theta energy: -114.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1287.004726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.004726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.004726 (E_RNA)
where:
Base-Base interactions energy: -882.167
where: short stacking energy: -385.231
Base-Backbone interact. energy: -1.773
local terms energy: -403.064678
where:
bonds (distance) C4'-P energy: -74.125
bonds (distance) P-C4' energy: -86.431
flat angles C4'-P-C4' energy: -96.585
flat angles P-C4'-P energy: -45.475
tors. eta vs tors. theta energy: -100.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1177.747164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.747164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.747164 (E_RNA)
where:
Base-Base interactions energy: -765.340
where: short stacking energy: -340.003
Base-Backbone interact. energy: -0.006
local terms energy: -412.401759
where:
bonds (distance) C4'-P energy: -73.306
bonds (distance) P-C4' energy: -81.140
flat angles C4'-P-C4' energy: -93.390
flat angles P-C4'-P energy: -62.853
tors. eta vs tors. theta energy: -101.712
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: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1000.532341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.532341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.532341 (E_RNA)
where:
Base-Base interactions energy: -645.800
where: short stacking energy: -308.621
Base-Backbone interact. energy: -0.021
local terms energy: -354.710843
where:
bonds (distance) C4'-P energy: -84.429
bonds (distance) P-C4' energy: -82.972
flat angles C4'-P-C4' energy: -76.795
flat angles P-C4'-P energy: -58.332
tors. eta vs tors. theta energy: -52.183
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: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -891.984583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.984583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.984583 (E_RNA)
where:
Base-Base interactions energy: -547.205
where: short stacking energy: -246.767
Base-Backbone interact. energy: -0.241
local terms energy: -344.538124
where:
bonds (distance) C4'-P energy: -81.357
bonds (distance) P-C4' energy: -83.855
flat angles C4'-P-C4' energy: -83.592
flat angles P-C4'-P energy: -35.543
tors. eta vs tors. theta energy: -60.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -767.289165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.289165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.289165 (E_RNA)
where:
Base-Base interactions energy: -452.067
where: short stacking energy: -220.470
Base-Backbone interact. energy: -1.367
local terms energy: -313.855103
where:
bonds (distance) C4'-P energy: -75.192
bonds (distance) P-C4' energy: -89.037
flat angles C4'-P-C4' energy: -86.842
flat angles P-C4'-P energy: -29.810
tors. eta vs tors. theta energy: -32.975
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: 390
Temperature: 1.350000
Total energy: -684.088895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.088895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.088895 (E_RNA)
where:
Base-Base interactions energy: -390.613
where: short stacking energy: -188.923
Base-Backbone interact. energy: 3.194
local terms energy: -296.669512
where:
bonds (distance) C4'-P energy: -84.148
bonds (distance) P-C4' energy: -84.592
flat angles C4'-P-C4' energy: -68.102
flat angles P-C4'-P energy: -48.837
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1584.287246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.287246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.287246 (E_RNA)
where:
Base-Base interactions energy: -1096.493
where: short stacking energy: -460.907
Base-Backbone interact. energy: -1.619
local terms energy: -486.175406
where:
bonds (distance) C4'-P energy: -96.570
bonds (distance) P-C4' energy: -92.912
flat angles C4'-P-C4' energy: -99.954
flat angles P-C4'-P energy: -74.433
tors. eta vs tors. theta energy: -122.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1521.121799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.121799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.121799 (E_RNA)
where:
Base-Base interactions energy: -1043.923
where: short stacking energy: -451.829
Base-Backbone interact. energy: -4.610
local terms energy: -472.588778
where:
bonds (distance) C4'-P energy: -96.672
bonds (distance) P-C4' energy: -93.932
flat angles C4'-P-C4' energy: -96.427
flat angles P-C4'-P energy: -55.398
tors. eta vs tors. theta energy: -130.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1463.204238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.204238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.204238 (E_RNA)
where:
Base-Base interactions energy: -999.623
where: short stacking energy: -412.725
Base-Backbone interact. energy: -1.371
local terms energy: -462.209485
where:
bonds (distance) C4'-P energy: -86.887
bonds (distance) P-C4' energy: -98.409
flat angles C4'-P-C4' energy: -102.939
flat angles P-C4'-P energy: -63.058
tors. eta vs tors. theta energy: -110.916
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: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1368.489339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.489339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.489339 (E_RNA)
where:
Base-Base interactions energy: -932.540
where: short stacking energy: -432.286
Base-Backbone interact. energy: -0.781
local terms energy: -435.168344
where:
bonds (distance) C4'-P energy: -84.215
bonds (distance) P-C4' energy: -74.218
flat angles C4'-P-C4' energy: -95.060
flat angles P-C4'-P energy: -67.021
tors. eta vs tors. theta energy: -114.655
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: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1320.468318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.468318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.468318 (E_RNA)
where:
Base-Base interactions energy: -891.406
where: short stacking energy: -390.577
Base-Backbone interact. energy: -1.161
local terms energy: -427.900939
where:
bonds (distance) C4'-P energy: -72.139
bonds (distance) P-C4' energy: -82.602
flat angles C4'-P-C4' energy: -100.206
flat angles P-C4'-P energy: -67.753
tors. eta vs tors. theta energy: -105.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1182.012479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.012479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.012479 (E_RNA)
where:
Base-Base interactions energy: -783.040
where: short stacking energy: -357.271
Base-Backbone interact. energy: -0.913
local terms energy: -398.059307
where:
bonds (distance) C4'-P energy: -80.397
bonds (distance) P-C4' energy: -80.875
flat angles C4'-P-C4' energy: -88.448
flat angles P-C4'-P energy: -56.254
tors. eta vs tors. theta energy: -92.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -977.594490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.594490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.594490 (E_RNA)
where:
Base-Base interactions energy: -641.109
where: short stacking energy: -293.860
Base-Backbone interact. energy: 1.712
local terms energy: -338.196780
where:
bonds (distance) C4'-P energy: -77.618
bonds (distance) P-C4' energy: -72.316
flat angles C4'-P-C4' energy: -83.399
flat angles P-C4'-P energy: -48.055
tors. eta vs tors. theta energy: -56.808
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: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -863.944184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.944184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.944184 (E_RNA)
where:
Base-Base interactions energy: -517.531
where: short stacking energy: -236.864
Base-Backbone interact. energy: -0.749
local terms energy: -345.664278
where:
bonds (distance) C4'-P energy: -81.565
bonds (distance) P-C4' energy: -85.274
flat angles C4'-P-C4' energy: -77.641
flat angles P-C4'-P energy: -52.372
tors. eta vs tors. theta energy: -48.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -784.377700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.377700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.377700 (E_RNA)
where:
Base-Base interactions energy: -487.288
where: short stacking energy: -222.997
Base-Backbone interact. energy: 3.708
local terms energy: -300.797746
where:
bonds (distance) C4'-P energy: -72.471
bonds (distance) P-C4' energy: -86.797
flat angles C4'-P-C4' energy: -59.123
flat angles P-C4'-P energy: -47.921
tors. eta vs tors. theta energy: -34.485
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: 391
Temperature: 1.350000
Total energy: -685.835265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.835265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.835265 (E_RNA)
where:
Base-Base interactions energy: -408.381
where: short stacking energy: -193.998
Base-Backbone interact. energy: 2.309
local terms energy: -279.763526
where:
bonds (distance) C4'-P energy: -61.375
bonds (distance) P-C4' energy: -83.989
flat angles C4'-P-C4' energy: -52.072
flat angles P-C4'-P energy: -60.024
tors. eta vs tors. theta energy: -22.303
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: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1553.944280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.944280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.944280 (E_RNA)
where:
Base-Base interactions energy: -1076.942
where: short stacking energy: -449.877
Base-Backbone interact. energy: -2.390
local terms energy: -474.613092
where:
bonds (distance) C4'-P energy: -81.402
bonds (distance) P-C4' energy: -101.639
flat angles C4'-P-C4' energy: -100.453
flat angles P-C4'-P energy: -71.535
tors. eta vs tors. theta energy: -119.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1518.939787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.939787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.939787 (E_RNA)
where:
Base-Base interactions energy: -1064.356
where: short stacking energy: -457.958
Base-Backbone interact. energy: -2.226
local terms energy: -452.357800
where:
bonds (distance) C4'-P energy: -80.920
bonds (distance) P-C4' energy: -86.858
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -60.420
tors. eta vs tors. theta energy: -124.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1478.374848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.374848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.374848 (E_RNA)
where:
Base-Base interactions energy: -1013.615
where: short stacking energy: -419.240
Base-Backbone interact. energy: -2.968
local terms energy: -461.792122
where:
bonds (distance) C4'-P energy: -82.510
bonds (distance) P-C4' energy: -94.283
flat angles C4'-P-C4' energy: -97.799
flat angles P-C4'-P energy: -64.678
tors. eta vs tors. theta energy: -122.522
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: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1388.309731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.309731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.309731 (E_RNA)
where:
Base-Base interactions energy: -941.415
where: short stacking energy: -426.376
Base-Backbone interact. energy: -1.213
local terms energy: -445.681307
where:
bonds (distance) C4'-P energy: -79.642
bonds (distance) P-C4' energy: -87.415
flat angles C4'-P-C4' energy: -99.723
flat angles P-C4'-P energy: -59.916
tors. eta vs tors. theta energy: -118.985
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: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1316.198539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.198539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.198539 (E_RNA)
where:
Base-Base interactions energy: -885.541
where: short stacking energy: -391.739
Base-Backbone interact. energy: -1.554
local terms energy: -429.103347
where:
bonds (distance) C4'-P energy: -86.721
bonds (distance) P-C4' energy: -88.233
flat angles C4'-P-C4' energy: -91.776
flat angles P-C4'-P energy: -56.871
tors. eta vs tors. theta energy: -105.502
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: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1189.674510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.674510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.674510 (E_RNA)
where:
Base-Base interactions energy: -770.651
where: short stacking energy: -346.322
Base-Backbone interact. energy: -1.015
local terms energy: -418.008671
where:
bonds (distance) C4'-P energy: -80.993
bonds (distance) P-C4' energy: -93.318
flat angles C4'-P-C4' energy: -90.076
flat angles P-C4'-P energy: -64.869
tors. eta vs tors. theta energy: -88.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1017.597685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.597685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.597685 (E_RNA)
where:
Base-Base interactions energy: -675.801
where: short stacking energy: -308.394
Base-Backbone interact. energy: -1.892
local terms energy: -339.904658
where:
bonds (distance) C4'-P energy: -64.375
bonds (distance) P-C4' energy: -79.497
flat angles C4'-P-C4' energy: -88.360
flat angles P-C4'-P energy: -47.640
tors. eta vs tors. theta energy: -60.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -881.480379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.480379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.480379 (E_RNA)
where:
Base-Base interactions energy: -573.562
where: short stacking energy: -253.791
Base-Backbone interact. energy: 4.913
local terms energy: -312.830919
where:
bonds (distance) C4'-P energy: -65.956
bonds (distance) P-C4' energy: -73.011
flat angles C4'-P-C4' energy: -77.898
flat angles P-C4'-P energy: -49.210
tors. eta vs tors. theta energy: -46.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -795.913380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.913380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.913380 (E_RNA)
where:
Base-Base interactions energy: -483.387
where: short stacking energy: -213.573
Base-Backbone interact. energy: -2.013
local terms energy: -310.513270
where:
bonds (distance) C4'-P energy: -71.458
bonds (distance) P-C4' energy: -72.586
flat angles C4'-P-C4' energy: -79.382
flat angles P-C4'-P energy: -52.735
tors. eta vs tors. theta energy: -34.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -711.443315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.443315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.443315 (E_RNA)
where:
Base-Base interactions energy: -441.232
where: short stacking energy: -211.030
Base-Backbone interact. energy: 0.866
local terms energy: -271.077855
where:
bonds (distance) C4'-P energy: -57.916
bonds (distance) P-C4' energy: -74.841
flat angles C4'-P-C4' energy: -73.285
flat angles P-C4'-P energy: -45.774
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1524.319018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.319018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.319018 (E_RNA)
where:
Base-Base interactions energy: -1053.603
where: short stacking energy: -457.499
Base-Backbone interact. energy: -0.488
local terms energy: -470.227720
where:
bonds (distance) C4'-P energy: -89.633
bonds (distance) P-C4' energy: -91.717
flat angles C4'-P-C4' energy: -100.748
flat angles P-C4'-P energy: -76.159
tors. eta vs tors. theta energy: -111.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1501.457220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.457220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.457220 (E_RNA)
where:
Base-Base interactions energy: -1036.924
where: short stacking energy: -439.515
Base-Backbone interact. energy: -2.200
local terms energy: -462.333278
where:
bonds (distance) C4'-P energy: -85.894
bonds (distance) P-C4' energy: -95.316
flat angles C4'-P-C4' energy: -100.831
flat angles P-C4'-P energy: -62.049
tors. eta vs tors. theta energy: -118.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1449.313261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.313261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.313261 (E_RNA)
where:
Base-Base interactions energy: -979.006
where: short stacking energy: -422.252
Base-Backbone interact. energy: -2.499
local terms energy: -467.808206
where:
bonds (distance) C4'-P energy: -89.400
bonds (distance) P-C4' energy: -98.223
flat angles C4'-P-C4' energy: -99.098
flat angles P-C4'-P energy: -66.463
tors. eta vs tors. theta energy: -114.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1347.780157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.780157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.780157 (E_RNA)
where:
Base-Base interactions energy: -919.845
where: short stacking energy: -401.155
Base-Backbone interact. energy: -2.124
local terms energy: -425.811251
where:
bonds (distance) C4'-P energy: -89.746
bonds (distance) P-C4' energy: -78.779
flat angles C4'-P-C4' energy: -92.351
flat angles P-C4'-P energy: -61.519
tors. eta vs tors. theta energy: -103.416
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: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1311.235214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.235214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.235214 (E_RNA)
where:
Base-Base interactions energy: -875.076
where: short stacking energy: -416.370
Base-Backbone interact. energy: -0.759
local terms energy: -435.400174
where:
bonds (distance) C4'-P energy: -72.878
bonds (distance) P-C4' energy: -86.928
flat angles C4'-P-C4' energy: -97.318
flat angles P-C4'-P energy: -59.037
tors. eta vs tors. theta energy: -119.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1199.946615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.946615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.946615 (E_RNA)
where:
Base-Base interactions energy: -808.442
where: short stacking energy: -342.349
Base-Backbone interact. energy: -0.411
local terms energy: -391.094135
where:
bonds (distance) C4'-P energy: -88.664
bonds (distance) P-C4' energy: -85.645
flat angles C4'-P-C4' energy: -80.662
flat angles P-C4'-P energy: -49.784
tors. eta vs tors. theta energy: -86.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -993.543054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.543054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.543054 (E_RNA)
where:
Base-Base interactions energy: -656.766
where: short stacking energy: -288.785
Base-Backbone interact. energy: -1.125
local terms energy: -335.652429
where:
bonds (distance) C4'-P energy: -81.095
bonds (distance) P-C4' energy: -88.430
flat angles C4'-P-C4' energy: -61.094
flat angles P-C4'-P energy: -55.026
tors. eta vs tors. theta energy: -50.008
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: 393
Temperature: 1.250000
Total energy: -897.226164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.226164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.226164 (E_RNA)
where:
Base-Base interactions energy: -592.503
where: short stacking energy: -260.919
Base-Backbone interact. energy: 2.524
local terms energy: -307.246709
where:
bonds (distance) C4'-P energy: -70.115
bonds (distance) P-C4' energy: -81.021
flat angles C4'-P-C4' energy: -79.528
flat angles P-C4'-P energy: -39.057
tors. eta vs tors. theta energy: -37.527
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: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -730.644879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.644879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.644879 (E_RNA)
where:
Base-Base interactions energy: -462.171
where: short stacking energy: -251.736
Base-Backbone interact. energy: -0.548
local terms energy: -267.925322
where:
bonds (distance) C4'-P energy: -59.546
bonds (distance) P-C4' energy: -64.899
flat angles C4'-P-C4' energy: -78.297
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: -43.301
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: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -690.963024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.963024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.963024 (E_RNA)
where:
Base-Base interactions energy: -439.071
where: short stacking energy: -197.869
Base-Backbone interact. energy: -1.416
local terms energy: -250.476269
where:
bonds (distance) C4'-P energy: -58.323
bonds (distance) P-C4' energy: -64.960
flat angles C4'-P-C4' energy: -74.036
flat angles P-C4'-P energy: -44.855
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1549.631144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.631144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.631144 (E_RNA)
where:
Base-Base interactions energy: -1068.774
where: short stacking energy: -469.837
Base-Backbone interact. energy: -0.936
local terms energy: -479.920827
where:
bonds (distance) C4'-P energy: -90.029
bonds (distance) P-C4' energy: -95.085
flat angles C4'-P-C4' energy: -100.258
flat angles P-C4'-P energy: -70.603
tors. eta vs tors. theta energy: -123.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1505.835241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.835241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.835241 (E_RNA)
where:
Base-Base interactions energy: -1059.392
where: short stacking energy: -456.819
Base-Backbone interact. energy: -3.011
local terms energy: -443.431888
where:
bonds (distance) C4'-P energy: -77.399
bonds (distance) P-C4' energy: -89.563
flat angles C4'-P-C4' energy: -93.218
flat angles P-C4'-P energy: -58.544
tors. eta vs tors. theta energy: -124.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1442.291032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.291032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.291032 (E_RNA)
where:
Base-Base interactions energy: -994.142
where: short stacking energy: -421.345
Base-Backbone interact. energy: -2.200
local terms energy: -445.949587
where:
bonds (distance) C4'-P energy: -91.338
bonds (distance) P-C4' energy: -79.964
flat angles C4'-P-C4' energy: -99.084
flat angles P-C4'-P energy: -62.902
tors. eta vs tors. theta energy: -112.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1366.946828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.946828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.946828 (E_RNA)
where:
Base-Base interactions energy: -922.035
where: short stacking energy: -399.871
Base-Backbone interact. energy: -3.050
local terms energy: -441.861332
where:
bonds (distance) C4'-P energy: -77.236
bonds (distance) P-C4' energy: -96.353
flat angles C4'-P-C4' energy: -90.021
flat angles P-C4'-P energy: -67.976
tors. eta vs tors. theta energy: -110.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1321.403595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.403595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.403595 (E_RNA)
where:
Base-Base interactions energy: -895.423
where: short stacking energy: -394.893
Base-Backbone interact. energy: 2.567
local terms energy: -428.547603
where:
bonds (distance) C4'-P energy: -77.679
bonds (distance) P-C4' energy: -86.120
flat angles C4'-P-C4' energy: -92.219
flat angles P-C4'-P energy: -64.491
tors. eta vs tors. theta energy: -108.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1190.167744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.167744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.167744 (E_RNA)
where:
Base-Base interactions energy: -817.292
where: short stacking energy: -366.775
Base-Backbone interact. energy: -2.979
local terms energy: -369.896835
where:
bonds (distance) C4'-P energy: -86.335
bonds (distance) P-C4' energy: -76.370
flat angles C4'-P-C4' energy: -81.228
flat angles P-C4'-P energy: -48.895
tors. eta vs tors. theta energy: -77.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1091.236146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.236146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.236146 (E_RNA)
where:
Base-Base interactions energy: -732.690
where: short stacking energy: -332.600
Base-Backbone interact. energy: 0.418
local terms energy: -358.964400
where:
bonds (distance) C4'-P energy: -73.553
bonds (distance) P-C4' energy: -72.466
flat angles C4'-P-C4' energy: -86.009
flat angles P-C4'-P energy: -51.191
tors. eta vs tors. theta energy: -75.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -834.285648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.285648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.285648 (E_RNA)
where:
Base-Base interactions energy: -524.205
where: short stacking energy: -232.030
Base-Backbone interact. energy: -3.352
local terms energy: -306.728039
where:
bonds (distance) C4'-P energy: -67.279
bonds (distance) P-C4' energy: -86.051
flat angles C4'-P-C4' energy: -75.589
flat angles P-C4'-P energy: -50.890
tors. eta vs tors. theta energy: -26.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -782.021572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.021572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.021572 (E_RNA)
where:
Base-Base interactions energy: -472.742
where: short stacking energy: -250.432
Base-Backbone interact. energy: 2.944
local terms energy: -312.224081
where:
bonds (distance) C4'-P energy: -84.222
bonds (distance) P-C4' energy: -73.740
flat angles C4'-P-C4' energy: -76.025
flat angles P-C4'-P energy: -37.526
tors. eta vs tors. theta energy: -40.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -694.173254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.173254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.173254 (E_RNA)
where:
Base-Base interactions energy: -416.041
where: short stacking energy: -189.862
Base-Backbone interact. energy: -1.076
local terms energy: -277.056407
where:
bonds (distance) C4'-P energy: -66.664
bonds (distance) P-C4' energy: -73.133
flat angles C4'-P-C4' energy: -63.899
flat angles P-C4'-P energy: -44.190
tors. eta vs tors. theta energy: -29.171
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: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1554.507208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.507208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.507208 (E_RNA)
where:
Base-Base interactions energy: -1077.900
where: short stacking energy: -450.305
Base-Backbone interact. energy: -3.976
local terms energy: -472.631048
where:
bonds (distance) C4'-P energy: -89.559
bonds (distance) P-C4' energy: -96.319
flat angles C4'-P-C4' energy: -95.420
flat angles P-C4'-P energy: -62.471
tors. eta vs tors. theta energy: -128.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1530.508532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.508532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.508532 (E_RNA)
where:
Base-Base interactions energy: -1046.635
where: short stacking energy: -438.269
Base-Backbone interact. energy: -4.189
local terms energy: -479.684423
where:
bonds (distance) C4'-P energy: -87.142
bonds (distance) P-C4' energy: -101.973
flat angles C4'-P-C4' energy: -96.961
flat angles P-C4'-P energy: -68.436
tors. eta vs tors. theta energy: -125.172
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: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1482.243334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.243334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.243334 (E_RNA)
where:
Base-Base interactions energy: -1038.205
where: short stacking energy: -451.801
Base-Backbone interact. energy: -0.772
local terms energy: -443.266685
where:
bonds (distance) C4'-P energy: -89.776
bonds (distance) P-C4' energy: -87.137
flat angles C4'-P-C4' energy: -93.978
flat angles P-C4'-P energy: -52.107
tors. eta vs tors. theta energy: -120.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1388.665716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.665716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.665716 (E_RNA)
where:
Base-Base interactions energy: -943.379
where: short stacking energy: -424.466
Base-Backbone interact. energy: -1.274
local terms energy: -444.012544
where:
bonds (distance) C4'-P energy: -78.206
bonds (distance) P-C4' energy: -82.915
flat angles C4'-P-C4' energy: -94.087
flat angles P-C4'-P energy: -66.397
tors. eta vs tors. theta energy: -122.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1304.879534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.879534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.879534 (E_RNA)
where:
Base-Base interactions energy: -904.145
where: short stacking energy: -407.926
Base-Backbone interact. energy: -0.555
local terms energy: -400.179284
where:
bonds (distance) C4'-P energy: -67.184
bonds (distance) P-C4' energy: -77.490
flat angles C4'-P-C4' energy: -88.724
flat angles P-C4'-P energy: -58.921
tors. eta vs tors. theta energy: -107.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1185.045976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.045976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.045976 (E_RNA)
where:
Base-Base interactions energy: -788.332
where: short stacking energy: -349.092
Base-Backbone interact. energy: -2.798
local terms energy: -393.915998
where:
bonds (distance) C4'-P energy: -68.412
bonds (distance) P-C4' energy: -90.496
flat angles C4'-P-C4' energy: -85.659
flat angles P-C4'-P energy: -54.825
tors. eta vs tors. theta energy: -94.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1112.501210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.501210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.501210 (E_RNA)
where:
Base-Base interactions energy: -707.474
where: short stacking energy: -332.613
Base-Backbone interact. energy: -0.605
local terms energy: -404.422305
where:
bonds (distance) C4'-P energy: -84.055
bonds (distance) P-C4' energy: -89.581
flat angles C4'-P-C4' energy: -86.781
flat angles P-C4'-P energy: -64.120
tors. eta vs tors. theta energy: -79.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -876.323873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.323873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.323873 (E_RNA)
where:
Base-Base interactions energy: -545.762
where: short stacking energy: -254.012
Base-Backbone interact. energy: 0.499
local terms energy: -331.061326
where:
bonds (distance) C4'-P energy: -82.898
bonds (distance) P-C4' energy: -80.786
flat angles C4'-P-C4' energy: -79.429
flat angles P-C4'-P energy: -48.568
tors. eta vs tors. theta energy: -39.380
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: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -734.687916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.687916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.687916 (E_RNA)
where:
Base-Base interactions energy: -439.527
where: short stacking energy: -218.331
Base-Backbone interact. energy: 0.747
local terms energy: -295.907556
where:
bonds (distance) C4'-P energy: -71.977
bonds (distance) P-C4' energy: -80.234
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -51.767
tors. eta vs tors. theta energy: -33.878
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: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -661.273297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.273297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.273297 (E_RNA)
where:
Base-Base interactions energy: -401.406
where: short stacking energy: -190.706
Base-Backbone interact. energy: 3.147
local terms energy: -263.014417
where:
bonds (distance) C4'-P energy: -81.476
bonds (distance) P-C4' energy: -69.127
flat angles C4'-P-C4' energy: -59.658
flat angles P-C4'-P energy: -31.682
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1571.783568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.783568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.783568 (E_RNA)
where:
Base-Base interactions energy: -1093.535
where: short stacking energy: -463.316
Base-Backbone interact. energy: -1.871
local terms energy: -476.377557
where:
bonds (distance) C4'-P energy: -88.732
bonds (distance) P-C4' energy: -86.098
flat angles C4'-P-C4' energy: -103.998
flat angles P-C4'-P energy: -67.348
tors. eta vs tors. theta energy: -130.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1519.551645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.551645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.551645 (E_RNA)
where:
Base-Base interactions energy: -1054.898
where: short stacking energy: -449.900
Base-Backbone interact. energy: -2.201
local terms energy: -462.452891
where:
bonds (distance) C4'-P energy: -92.927
bonds (distance) P-C4' energy: -77.613
flat angles C4'-P-C4' energy: -105.825
flat angles P-C4'-P energy: -67.815
tors. eta vs tors. theta energy: -118.274
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: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1474.016780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.016780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.016780 (E_RNA)
where:
Base-Base interactions energy: -1009.474
where: short stacking energy: -427.538
Base-Backbone interact. energy: -2.444
local terms energy: -462.098886
where:
bonds (distance) C4'-P energy: -79.665
bonds (distance) P-C4' energy: -97.529
flat angles C4'-P-C4' energy: -96.397
flat angles P-C4'-P energy: -66.913
tors. eta vs tors. theta energy: -121.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1370.769321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.769321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.769321 (E_RNA)
where:
Base-Base interactions energy: -909.617
where: short stacking energy: -401.516
Base-Backbone interact. energy: -2.304
local terms energy: -458.848206
where:
bonds (distance) C4'-P energy: -77.348
bonds (distance) P-C4' energy: -101.746
flat angles C4'-P-C4' energy: -104.050
flat angles P-C4'-P energy: -61.450
tors. eta vs tors. theta energy: -114.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1338.904903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.904903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.904903 (E_RNA)
where:
Base-Base interactions energy: -890.673
where: short stacking energy: -396.781
Base-Backbone interact. energy: -0.815
local terms energy: -447.417393
where:
bonds (distance) C4'-P energy: -94.653
bonds (distance) P-C4' energy: -90.504
flat angles C4'-P-C4' energy: -93.025
flat angles P-C4'-P energy: -65.631
tors. eta vs tors. theta energy: -103.603
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: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1187.895967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.895967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.895967 (E_RNA)
where:
Base-Base interactions energy: -813.500
where: short stacking energy: -348.495
Base-Backbone interact. energy: 0.819
local terms energy: -375.215181
where:
bonds (distance) C4'-P energy: -75.164
bonds (distance) P-C4' energy: -77.311
flat angles C4'-P-C4' energy: -90.445
flat angles P-C4'-P energy: -53.842
tors. eta vs tors. theta energy: -78.454
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: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1058.314637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.314637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.314637 (E_RNA)
where:
Base-Base interactions energy: -697.237
where: short stacking energy: -304.895
Base-Backbone interact. energy: 1.708
local terms energy: -362.784881
where:
bonds (distance) C4'-P energy: -69.307
bonds (distance) P-C4' energy: -84.669
flat angles C4'-P-C4' energy: -83.618
flat angles P-C4'-P energy: -48.560
tors. eta vs tors. theta energy: -76.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -817.701426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.701426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.701426 (E_RNA)
where:
Base-Base interactions energy: -507.683
where: short stacking energy: -223.047
Base-Backbone interact. energy: -1.184
local terms energy: -308.834672
where:
bonds (distance) C4'-P energy: -73.006
bonds (distance) P-C4' energy: -80.695
flat angles C4'-P-C4' energy: -82.146
flat angles P-C4'-P energy: -33.506
tors. eta vs tors. theta energy: -39.481
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: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -728.619633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.619633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.619633 (E_RNA)
where:
Base-Base interactions energy: -447.154
where: short stacking energy: -233.814
Base-Backbone interact. energy: 1.272
local terms energy: -282.737532
where:
bonds (distance) C4'-P energy: -60.636
bonds (distance) P-C4' energy: -81.735
flat angles C4'-P-C4' energy: -79.594
flat angles P-C4'-P energy: -37.298
tors. eta vs tors. theta energy: -23.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -633.947566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.947566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.947566 (E_RNA)
where:
Base-Base interactions energy: -381.024
where: short stacking energy: -159.545
Base-Backbone interact. energy: 1.098
local terms energy: -254.021545
where:
bonds (distance) C4'-P energy: -72.059
bonds (distance) P-C4' energy: -69.691
flat angles C4'-P-C4' energy: -64.799
flat angles P-C4'-P energy: -47.419
tors. eta vs tors. theta energy: -0.054
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: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1542.958821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.958821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.958821 (E_RNA)
where:
Base-Base interactions energy: -1085.144
where: short stacking energy: -472.036
Base-Backbone interact. energy: 1.249
local terms energy: -459.064086
where:
bonds (distance) C4'-P energy: -81.598
bonds (distance) P-C4' energy: -77.112
flat angles C4'-P-C4' energy: -97.953
flat angles P-C4'-P energy: -78.585
tors. eta vs tors. theta energy: -123.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1518.236748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.236748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.236748 (E_RNA)
where:
Base-Base interactions energy: -1049.269
where: short stacking energy: -457.496
Base-Backbone interact. energy: -1.268
local terms energy: -467.699289
where:
bonds (distance) C4'-P energy: -92.481
bonds (distance) P-C4' energy: -79.647
flat angles C4'-P-C4' energy: -95.259
flat angles P-C4'-P energy: -72.046
tors. eta vs tors. theta energy: -128.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1468.638912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.638912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.638912 (E_RNA)
where:
Base-Base interactions energy: -1015.520
where: short stacking energy: -428.668
Base-Backbone interact. energy: -3.825
local terms energy: -449.293943
where:
bonds (distance) C4'-P energy: -89.635
bonds (distance) P-C4' energy: -93.664
flat angles C4'-P-C4' energy: -98.324
flat angles P-C4'-P energy: -50.254
tors. eta vs tors. theta energy: -117.416
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: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1350.542088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.542088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.542088 (E_RNA)
where:
Base-Base interactions energy: -908.670
where: short stacking energy: -388.986
Base-Backbone interact. energy: -0.691
local terms energy: -441.181277
where:
bonds (distance) C4'-P energy: -90.669
bonds (distance) P-C4' energy: -87.768
flat angles C4'-P-C4' energy: -100.859
flat angles P-C4'-P energy: -53.005
tors. eta vs tors. theta energy: -108.879
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: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1321.310399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.310399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.310399 (E_RNA)
where:
Base-Base interactions energy: -908.188
where: short stacking energy: -398.956
Base-Backbone interact. energy: 1.593
local terms energy: -414.714772
where:
bonds (distance) C4'-P energy: -79.767
bonds (distance) P-C4' energy: -76.358
flat angles C4'-P-C4' energy: -90.789
flat angles P-C4'-P energy: -68.046
tors. eta vs tors. theta energy: -99.755
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: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1196.365790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.365790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.365790 (E_RNA)
where:
Base-Base interactions energy: -817.909
where: short stacking energy: -377.886
Base-Backbone interact. energy: -0.732
local terms energy: -377.724708
where:
bonds (distance) C4'-P energy: -70.724
bonds (distance) P-C4' energy: -73.177
flat angles C4'-P-C4' energy: -92.613
flat angles P-C4'-P energy: -43.244
tors. eta vs tors. theta energy: -97.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1069.140832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.140832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.140832 (E_RNA)
where:
Base-Base interactions energy: -689.410
where: short stacking energy: -315.059
Base-Backbone interact. energy: -2.528
local terms energy: -377.203135
where:
bonds (distance) C4'-P energy: -79.545
bonds (distance) P-C4' energy: -81.724
flat angles C4'-P-C4' energy: -83.777
flat angles P-C4'-P energy: -58.958
tors. eta vs tors. theta energy: -73.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -839.122983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.122983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.122983 (E_RNA)
where:
Base-Base interactions energy: -533.656
where: short stacking energy: -222.459
Base-Backbone interact. energy: -0.685
local terms energy: -304.781711
where:
bonds (distance) C4'-P energy: -66.671
bonds (distance) P-C4' energy: -76.515
flat angles C4'-P-C4' energy: -74.480
flat angles P-C4'-P energy: -44.010
tors. eta vs tors. theta energy: -43.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -740.515673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.515673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.515673 (E_RNA)
where:
Base-Base interactions energy: -453.010
where: short stacking energy: -231.423
Base-Backbone interact. energy: 0.399
local terms energy: -287.904612
where:
bonds (distance) C4'-P energy: -78.236
bonds (distance) P-C4' energy: -71.006
flat angles C4'-P-C4' energy: -66.325
flat angles P-C4'-P energy: -37.882
tors. eta vs tors. theta energy: -34.455
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: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -573.952932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.952932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.952932 (E_RNA)
where:
Base-Base interactions energy: -323.658
where: short stacking energy: -180.532
Base-Backbone interact. energy: -0.037
local terms energy: -250.257730
where:
bonds (distance) C4'-P energy: -78.623
bonds (distance) P-C4' energy: -75.266
flat angles C4'-P-C4' energy: -60.120
flat angles P-C4'-P energy: -30.361
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1557.538878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.538878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.538878 (E_RNA)
where:
Base-Base interactions energy: -1092.587
where: short stacking energy: -465.791
Base-Backbone interact. energy: -2.792
local terms energy: -462.159894
where:
bonds (distance) C4'-P energy: -93.825
bonds (distance) P-C4' energy: -87.303
flat angles C4'-P-C4' energy: -95.915
flat angles P-C4'-P energy: -64.324
tors. eta vs tors. theta energy: -120.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1539.759372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.759372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.759372 (E_RNA)
where:
Base-Base interactions energy: -1064.161
where: short stacking energy: -445.323
Base-Backbone interact. energy: -2.750
local terms energy: -472.848805
where:
bonds (distance) C4'-P energy: -93.410
bonds (distance) P-C4' energy: -90.031
flat angles C4'-P-C4' energy: -102.629
flat angles P-C4'-P energy: -62.019
tors. eta vs tors. theta energy: -124.760
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: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1485.096281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.096281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.096281 (E_RNA)
where:
Base-Base interactions energy: -1034.803
where: short stacking energy: -458.490
Base-Backbone interact. energy: -2.917
local terms energy: -447.376900
where:
bonds (distance) C4'-P energy: -72.383
bonds (distance) P-C4' energy: -83.163
flat angles C4'-P-C4' energy: -108.503
flat angles P-C4'-P energy: -64.596
tors. eta vs tors. theta energy: -118.731
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: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1380.970374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.970374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.970374 (E_RNA)
where:
Base-Base interactions energy: -941.289
where: short stacking energy: -415.246
Base-Backbone interact. energy: 1.625
local terms energy: -441.306205
where:
bonds (distance) C4'-P energy: -90.679
bonds (distance) P-C4' energy: -81.160
flat angles C4'-P-C4' energy: -86.948
flat angles P-C4'-P energy: -64.576
tors. eta vs tors. theta energy: -117.942
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: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1323.048012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.048012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.048012 (E_RNA)
where:
Base-Base interactions energy: -912.693
where: short stacking energy: -383.616
Base-Backbone interact. energy: -2.293
local terms energy: -408.061473
where:
bonds (distance) C4'-P energy: -72.080
bonds (distance) P-C4' energy: -69.119
flat angles C4'-P-C4' energy: -94.981
flat angles P-C4'-P energy: -68.996
tors. eta vs tors. theta energy: -102.886
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: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1206.283311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.283311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.283311 (E_RNA)
where:
Base-Base interactions energy: -818.614
where: short stacking energy: -368.161
Base-Backbone interact. energy: -2.022
local terms energy: -385.646723
where:
bonds (distance) C4'-P energy: -80.716
bonds (distance) P-C4' energy: -75.310
flat angles C4'-P-C4' energy: -90.138
flat angles P-C4'-P energy: -45.192
tors. eta vs tors. theta energy: -94.290
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: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1086.718254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.718254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.718254 (E_RNA)
where:
Base-Base interactions energy: -711.080
where: short stacking energy: -317.076
Base-Backbone interact. energy: -4.126
local terms energy: -371.512206
where:
bonds (distance) C4'-P energy: -86.255
bonds (distance) P-C4' energy: -79.638
flat angles C4'-P-C4' energy: -78.327
flat angles P-C4'-P energy: -50.983
tors. eta vs tors. theta energy: -76.310
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: 398
Temperature: 1.250000
Total energy: -867.877797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.877797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.877797 (E_RNA)
where:
Base-Base interactions energy: -554.492
where: short stacking energy: -255.840
Base-Backbone interact. energy: -1.983
local terms energy: -311.402427
where:
bonds (distance) C4'-P energy: -68.038
bonds (distance) P-C4' energy: -81.403
flat angles C4'-P-C4' energy: -76.683
flat angles P-C4'-P energy: -45.890
tors. eta vs tors. theta energy: -39.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -729.100252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.100252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.100252 (E_RNA)
where:
Base-Base interactions energy: -450.293
where: short stacking energy: -216.772
Base-Backbone interact. energy: 0.734
local terms energy: -279.541829
where:
bonds (distance) C4'-P energy: -65.788
bonds (distance) P-C4' energy: -73.072
flat angles C4'-P-C4' energy: -77.980
flat angles P-C4'-P energy: -35.022
tors. eta vs tors. theta energy: -27.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -565.316568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.316568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.316568 (E_RNA)
where:
Base-Base interactions energy: -300.689
where: short stacking energy: -151.852
Base-Backbone interact. energy: 2.437
local terms energy: -267.064627
where:
bonds (distance) C4'-P energy: -72.597
bonds (distance) P-C4' energy: -59.149
flat angles C4'-P-C4' energy: -74.046
flat angles P-C4'-P energy: -49.476
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1564.266627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.266627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.266627 (E_RNA)
where:
Base-Base interactions energy: -1086.200
where: short stacking energy: -451.845
Base-Backbone interact. energy: -4.226
local terms energy: -473.839937
where:
bonds (distance) C4'-P energy: -94.714
bonds (distance) P-C4' energy: -91.924
flat angles C4'-P-C4' energy: -97.223
flat angles P-C4'-P energy: -62.960
tors. eta vs tors. theta energy: -127.019
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: 2, replica: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1555.732505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.732505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.732505 (E_RNA)
where:
Base-Base interactions energy: -1062.955
where: short stacking energy: -456.714
Base-Backbone interact. energy: -2.381
local terms energy: -490.396876
where:
bonds (distance) C4'-P energy: -101.527
bonds (distance) P-C4' energy: -88.444
flat angles C4'-P-C4' energy: -103.884
flat angles P-C4'-P energy: -65.411
tors. eta vs tors. theta energy: -131.130
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: 399
Temperature: 1.000000
Total energy: -1439.125679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.125679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.125679 (E_RNA)
where:
Base-Base interactions energy: -1002.163
where: short stacking energy: -420.775
Base-Backbone interact. energy: -0.120
local terms energy: -436.842777
where:
bonds (distance) C4'-P energy: -82.127
bonds (distance) P-C4' energy: -86.697
flat angles C4'-P-C4' energy: -93.227
flat angles P-C4'-P energy: -59.880
tors. eta vs tors. theta energy: -114.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1401.573842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.573842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.573842 (E_RNA)
where:
Base-Base interactions energy: -947.726
where: short stacking energy: -412.823
Base-Backbone interact. energy: -3.130
local terms energy: -450.717538
where:
bonds (distance) C4'-P energy: -79.392
bonds (distance) P-C4' energy: -92.866
flat angles C4'-P-C4' energy: -96.691
flat angles P-C4'-P energy: -61.608
tors. eta vs tors. theta energy: -120.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1330.169537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.169537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.169537 (E_RNA)
where:
Base-Base interactions energy: -920.518
where: short stacking energy: -407.257
Base-Backbone interact. energy: -2.259
local terms energy: -407.392652
where:
bonds (distance) C4'-P energy: -81.860
bonds (distance) P-C4' energy: -62.902
flat angles C4'-P-C4' energy: -94.911
flat angles P-C4'-P energy: -58.651
tors. eta vs tors. theta energy: -109.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1215.746365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.746365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.746365 (E_RNA)
where:
Base-Base interactions energy: -825.140
where: short stacking energy: -351.634
Base-Backbone interact. energy: 0.655
local terms energy: -391.261776
where:
bonds (distance) C4'-P energy: -68.398
bonds (distance) P-C4' energy: -81.812
flat angles C4'-P-C4' energy: -89.339
flat angles P-C4'-P energy: -60.505
tors. eta vs tors. theta energy: -91.208
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: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1088.229406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.229406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.229406 (E_RNA)
where:
Base-Base interactions energy: -728.546
where: short stacking energy: -314.102
Base-Backbone interact. energy: 3.152
local terms energy: -362.835929
where:
bonds (distance) C4'-P energy: -83.231
bonds (distance) P-C4' energy: -77.605
flat angles C4'-P-C4' energy: -69.628
flat angles P-C4'-P energy: -60.834
tors. eta vs tors. theta energy: -71.538
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: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -872.950998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.950998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.950998 (E_RNA)
where:
Base-Base interactions energy: -558.126
where: short stacking energy: -261.166
Base-Backbone interact. energy: -0.407
local terms energy: -314.417764
where:
bonds (distance) C4'-P energy: -79.335
bonds (distance) P-C4' energy: -63.461
flat angles C4'-P-C4' energy: -71.340
flat angles P-C4'-P energy: -49.894
tors. eta vs tors. theta energy: -50.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -719.206200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.206200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.206200 (E_RNA)
where:
Base-Base interactions energy: -422.794
where: short stacking energy: -217.157
Base-Backbone interact. energy: 1.879
local terms energy: -298.290671
where:
bonds (distance) C4'-P energy: -67.332
bonds (distance) P-C4' energy: -82.261
flat angles C4'-P-C4' energy: -78.385
flat angles P-C4'-P energy: -46.963
tors. eta vs tors. theta energy: -23.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -576.293574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.293574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.293574 (E_RNA)
where:
Base-Base interactions energy: -310.904
where: short stacking energy: -166.759
Base-Backbone interact. energy: 5.202
local terms energy: -270.591459
where:
bonds (distance) C4'-P energy: -76.515
bonds (distance) P-C4' energy: -79.922
flat angles C4'-P-C4' energy: -61.141
flat angles P-C4'-P energy: -38.975
tors. eta vs tors. theta energy: -14.039
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: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1554.634898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.634898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.634898 (E_RNA)
where:
Base-Base interactions energy: -1076.122
where: short stacking energy: -457.920
Base-Backbone interact. energy: -4.362
local terms energy: -474.150922
where:
bonds (distance) C4'-P energy: -87.935
bonds (distance) P-C4' energy: -103.018
flat angles C4'-P-C4' energy: -98.229
flat angles P-C4'-P energy: -64.954
tors. eta vs tors. theta energy: -120.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1533.571739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.571739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.571739 (E_RNA)
where:
Base-Base interactions energy: -1059.118
where: short stacking energy: -426.877
Base-Backbone interact. energy: -2.833
local terms energy: -471.621005
where:
bonds (distance) C4'-P energy: -77.406
bonds (distance) P-C4' energy: -90.690
flat angles C4'-P-C4' energy: -108.096
flat angles P-C4'-P energy: -76.798
tors. eta vs tors. theta energy: -118.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1395.921118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.921118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.921118 (E_RNA)
where:
Base-Base interactions energy: -961.452
where: short stacking energy: -409.210
Base-Backbone interact. energy: -2.581
local terms energy: -431.887518
where:
bonds (distance) C4'-P energy: -88.288
bonds (distance) P-C4' energy: -75.655
flat angles C4'-P-C4' energy: -94.833
flat angles P-C4'-P energy: -54.691
tors. eta vs tors. theta energy: -118.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1414.149546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.149546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.149546 (E_RNA)
where:
Base-Base interactions energy: -985.189
where: short stacking energy: -418.123
Base-Backbone interact. energy: -3.376
local terms energy: -425.584497
where:
bonds (distance) C4'-P energy: -78.749
bonds (distance) P-C4' energy: -89.903
flat angles C4'-P-C4' energy: -90.384
flat angles P-C4'-P energy: -52.243
tors. eta vs tors. theta energy: -114.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1324.468476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.468476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.468476 (E_RNA)
where:
Base-Base interactions energy: -889.573
where: short stacking energy: -410.264
Base-Backbone interact. energy: -1.464
local terms energy: -433.432177
where:
bonds (distance) C4'-P energy: -85.103
bonds (distance) P-C4' energy: -83.043
flat angles C4'-P-C4' energy: -95.037
flat angles P-C4'-P energy: -62.526
tors. eta vs tors. theta energy: -107.723
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: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1286.008299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.008299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.008299 (E_RNA)
where:
Base-Base interactions energy: -871.704
where: short stacking energy: -395.668
Base-Backbone interact. energy: -0.401
local terms energy: -413.903562
where:
bonds (distance) C4'-P energy: -79.458
bonds (distance) P-C4' energy: -75.634
flat angles C4'-P-C4' energy: -93.392
flat angles P-C4'-P energy: -52.042
tors. eta vs tors. theta energy: -113.378
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: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1064.057821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.057821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.057821 (E_RNA)
where:
Base-Base interactions energy: -704.503
where: short stacking energy: -321.465
Base-Backbone interact. energy: 1.395
local terms energy: -360.950029
where:
bonds (distance) C4'-P energy: -78.940
bonds (distance) P-C4' energy: -75.434
flat angles C4'-P-C4' energy: -87.411
flat angles P-C4'-P energy: -50.415
tors. eta vs tors. theta energy: -68.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -924.374332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.374332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.374332 (E_RNA)
where:
Base-Base interactions energy: -600.470
where: short stacking energy: -286.538
Base-Backbone interact. energy: -1.573
local terms energy: -322.331515
where:
bonds (distance) C4'-P energy: -81.785
bonds (distance) P-C4' energy: -63.310
flat angles C4'-P-C4' energy: -84.652
flat angles P-C4'-P energy: -47.822
tors. eta vs tors. theta energy: -44.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -741.267650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.267650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.267650 (E_RNA)
where:
Base-Base interactions energy: -440.275
where: short stacking energy: -205.663
Base-Backbone interact. energy: -1.978
local terms energy: -299.015116
where:
bonds (distance) C4'-P energy: -78.231
bonds (distance) P-C4' energy: -87.358
flat angles C4'-P-C4' energy: -55.957
flat angles P-C4'-P energy: -41.973
tors. eta vs tors. theta energy: -35.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -597.306144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.306144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.306144 (E_RNA)
where:
Base-Base interactions energy: -307.616
where: short stacking energy: -166.225
Base-Backbone interact. energy: 0.808
local terms energy: -290.497830
where:
bonds (distance) C4'-P energy: -67.373
bonds (distance) P-C4' energy: -87.890
flat angles C4'-P-C4' energy: -78.724
flat angles P-C4'-P energy: -39.836
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: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1555.054256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.054256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.054256 (E_RNA)
where:
Base-Base interactions energy: -1070.386
where: short stacking energy: -450.678
Base-Backbone interact. energy: -3.372
local terms energy: -481.295892
where:
bonds (distance) C4'-P energy: -93.441
bonds (distance) P-C4' energy: -92.997
flat angles C4'-P-C4' energy: -103.060
flat angles P-C4'-P energy: -73.520
tors. eta vs tors. theta energy: -118.279
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: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1527.739095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.739095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.739095 (E_RNA)
where:
Base-Base interactions energy: -1056.568
where: short stacking energy: -439.416
Base-Backbone interact. energy: -2.963
local terms energy: -468.208186
where:
bonds (distance) C4'-P energy: -88.529
bonds (distance) P-C4' energy: -79.677
flat angles C4'-P-C4' energy: -107.066
flat angles P-C4'-P energy: -70.421
tors. eta vs tors. theta energy: -122.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1413.934150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.934150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.934150 (E_RNA)
where:
Base-Base interactions energy: -959.227
where: short stacking energy: -405.725
Base-Backbone interact. energy: -2.385
local terms energy: -452.322995
where:
bonds (distance) C4'-P energy: -87.049
bonds (distance) P-C4' energy: -83.855
flat angles C4'-P-C4' energy: -91.446
flat angles P-C4'-P energy: -63.910
tors. eta vs tors. theta energy: -126.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1432.442396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.442396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.442396 (E_RNA)
where:
Base-Base interactions energy: -983.396
where: short stacking energy: -427.517
Base-Backbone interact. energy: -3.454
local terms energy: -445.592622
where:
bonds (distance) C4'-P energy: -80.394
bonds (distance) P-C4' energy: -89.732
flat angles C4'-P-C4' energy: -94.719
flat angles P-C4'-P energy: -55.536
tors. eta vs tors. theta energy: -125.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1295.024300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.024300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.024300 (E_RNA)
where:
Base-Base interactions energy: -847.229
where: short stacking energy: -408.649
Base-Backbone interact. energy: -1.178
local terms energy: -446.617328
where:
bonds (distance) C4'-P energy: -78.967
bonds (distance) P-C4' energy: -78.863
flat angles C4'-P-C4' energy: -100.105
flat angles P-C4'-P energy: -65.770
tors. eta vs tors. theta energy: -122.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1249.735893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.735893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.735893 (E_RNA)
where:
Base-Base interactions energy: -867.048
where: short stacking energy: -397.886
Base-Backbone interact. energy: -0.024
local terms energy: -382.663391
where:
bonds (distance) C4'-P energy: -73.735
bonds (distance) P-C4' energy: -64.175
flat angles C4'-P-C4' energy: -83.103
flat angles P-C4'-P energy: -54.875
tors. eta vs tors. theta energy: -106.776
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: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1085.391538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.391538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.391538 (E_RNA)
where:
Base-Base interactions energy: -722.491
where: short stacking energy: -328.583
Base-Backbone interact. energy: -0.063
local terms energy: -362.837237
where:
bonds (distance) C4'-P energy: -76.133
bonds (distance) P-C4' energy: -79.645
flat angles C4'-P-C4' energy: -79.117
flat angles P-C4'-P energy: -50.202
tors. eta vs tors. theta energy: -77.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -854.878842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.878842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.878842 (E_RNA)
where:
Base-Base interactions energy: -535.133
where: short stacking energy: -253.854
Base-Backbone interact. energy: 1.486
local terms energy: -321.231454
where:
bonds (distance) C4'-P energy: -73.737
bonds (distance) P-C4' energy: -79.591
flat angles C4'-P-C4' energy: -66.543
flat angles P-C4'-P energy: -47.846
tors. eta vs tors. theta energy: -53.515
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: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -719.222599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.222599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.222599 (E_RNA)
where:
Base-Base interactions energy: -445.300
where: short stacking energy: -212.959
Base-Backbone interact. energy: -1.432
local terms energy: -272.490512
where:
bonds (distance) C4'-P energy: -75.024
bonds (distance) P-C4' energy: -79.237
flat angles C4'-P-C4' energy: -77.413
flat angles P-C4'-P energy: -26.203
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: 10, replica: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -593.344497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.344497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.344497 (E_RNA)
where:
Base-Base interactions energy: -339.929
where: short stacking energy: -182.654
Base-Backbone interact. energy: 2.713
local terms energy: -256.128483
where:
bonds (distance) C4'-P energy: -65.432
bonds (distance) P-C4' energy: -63.478
flat angles C4'-P-C4' energy: -61.192
flat angles P-C4'-P energy: -43.920
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1562.708195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.708195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.708195 (E_RNA)
where:
Base-Base interactions energy: -1078.041
where: short stacking energy: -474.105
Base-Backbone interact. energy: -0.807
local terms energy: -483.860395
where:
bonds (distance) C4'-P energy: -81.634
bonds (distance) P-C4' energy: -97.706
flat angles C4'-P-C4' energy: -111.414
flat angles P-C4'-P energy: -59.584
tors. eta vs tors. theta energy: -133.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1528.213057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.213057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.213057 (E_RNA)
where:
Base-Base interactions energy: -1044.807
where: short stacking energy: -434.280
Base-Backbone interact. energy: -2.890
local terms energy: -480.515353
where:
bonds (distance) C4'-P energy: -90.965
bonds (distance) P-C4' energy: -88.127
flat angles C4'-P-C4' energy: -105.362
flat angles P-C4'-P energy: -69.122
tors. eta vs tors. theta energy: -126.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1454.077455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.077455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.077455 (E_RNA)
where:
Base-Base interactions energy: -1015.289
where: short stacking energy: -462.074
Base-Backbone interact. energy: 0.062
local terms energy: -438.850476
where:
bonds (distance) C4'-P energy: -79.844
bonds (distance) P-C4' energy: -82.124
flat angles C4'-P-C4' energy: -104.938
flat angles P-C4'-P energy: -44.842
tors. eta vs tors. theta energy: -127.103
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: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1384.941724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.941724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.941724 (E_RNA)
where:
Base-Base interactions energy: -943.367
where: short stacking energy: -425.464
Base-Backbone interact. energy: 2.068
local terms energy: -443.643032
where:
bonds (distance) C4'-P energy: -89.839
bonds (distance) P-C4' energy: -99.623
flat angles C4'-P-C4' energy: -87.551
flat angles P-C4'-P energy: -62.246
tors. eta vs tors. theta energy: -104.385
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: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1238.897085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.897085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.897085 (E_RNA)
where:
Base-Base interactions energy: -829.895
where: short stacking energy: -370.858
Base-Backbone interact. energy: 0.877
local terms energy: -409.879169
where:
bonds (distance) C4'-P energy: -81.065
bonds (distance) P-C4' energy: -67.163
flat angles C4'-P-C4' energy: -96.293
flat angles P-C4'-P energy: -63.987
tors. eta vs tors. theta energy: -101.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1204.397272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.397272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.397272 (E_RNA)
where:
Base-Base interactions energy: -795.859
where: short stacking energy: -366.314
Base-Backbone interact. energy: -3.223
local terms energy: -405.315469
where:
bonds (distance) C4'-P energy: -82.120
bonds (distance) P-C4' energy: -87.295
flat angles C4'-P-C4' energy: -84.611
flat angles P-C4'-P energy: -67.103
tors. eta vs tors. theta energy: -84.187
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: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1069.522738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.522738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.522738 (E_RNA)
where:
Base-Base interactions energy: -707.588
where: short stacking energy: -307.423
Base-Backbone interact. energy: 0.240
local terms energy: -362.174844
where:
bonds (distance) C4'-P energy: -69.212
bonds (distance) P-C4' energy: -95.051
flat angles C4'-P-C4' energy: -84.077
flat angles P-C4'-P energy: -53.947
tors. eta vs tors. theta energy: -59.888
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: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -857.356195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.356195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.356195 (E_RNA)
where:
Base-Base interactions energy: -553.525
where: short stacking energy: -253.718
Base-Backbone interact. energy: 0.547
local terms energy: -304.378164
where:
bonds (distance) C4'-P energy: -73.185
bonds (distance) P-C4' energy: -72.195
flat angles C4'-P-C4' energy: -65.634
flat angles P-C4'-P energy: -42.974
tors. eta vs tors. theta energy: -50.391
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: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -711.854114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.854114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.854114 (E_RNA)
where:
Base-Base interactions energy: -421.763
where: short stacking energy: -208.927
Base-Backbone interact. energy: -1.531
local terms energy: -288.560283
where:
bonds (distance) C4'-P energy: -69.692
bonds (distance) P-C4' energy: -75.512
flat angles C4'-P-C4' energy: -74.793
flat angles P-C4'-P energy: -45.348
tors. eta vs tors. theta energy: -23.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -630.489310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.489310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.489310 (E_RNA)
where:
Base-Base interactions energy: -346.826
where: short stacking energy: -184.525
Base-Backbone interact. energy: -0.943
local terms energy: -282.720227
where:
bonds (distance) C4'-P energy: -85.711
bonds (distance) P-C4' energy: -69.360
flat angles C4'-P-C4' energy: -72.834
flat angles P-C4'-P energy: -37.202
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1565.467672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.467672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.467672 (E_RNA)
where:
Base-Base interactions energy: -1098.557
where: short stacking energy: -466.765
Base-Backbone interact. energy: -0.926
local terms energy: -465.983930
where:
bonds (distance) C4'-P energy: -83.232
bonds (distance) P-C4' energy: -94.932
flat angles C4'-P-C4' energy: -88.139
flat angles P-C4'-P energy: -70.315
tors. eta vs tors. theta energy: -129.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1524.257807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.257807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.257807 (E_RNA)
where:
Base-Base interactions energy: -1053.083
where: short stacking energy: -455.260
Base-Backbone interact. energy: -2.065
local terms energy: -469.109593
where:
bonds (distance) C4'-P energy: -85.427
bonds (distance) P-C4' energy: -95.031
flat angles C4'-P-C4' energy: -90.928
flat angles P-C4'-P energy: -64.535
tors. eta vs tors. theta energy: -133.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1514.988680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.988680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.988680 (E_RNA)
where:
Base-Base interactions energy: -1059.263
where: short stacking energy: -425.829
Base-Backbone interact. energy: -1.430
local terms energy: -454.295172
where:
bonds (distance) C4'-P energy: -80.464
bonds (distance) P-C4' energy: -85.320
flat angles C4'-P-C4' energy: -98.165
flat angles P-C4'-P energy: -61.026
tors. eta vs tors. theta energy: -129.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1370.726641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.726641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.726641 (E_RNA)
where:
Base-Base interactions energy: -939.548
where: short stacking energy: -419.528
Base-Backbone interact. energy: -0.675
local terms energy: -430.502963
where:
bonds (distance) C4'-P energy: -77.049
bonds (distance) P-C4' energy: -83.755
flat angles C4'-P-C4' energy: -95.767
flat angles P-C4'-P energy: -64.224
tors. eta vs tors. theta energy: -109.708
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: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1273.888547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.888547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.888547 (E_RNA)
where:
Base-Base interactions energy: -820.819
where: short stacking energy: -402.747
Base-Backbone interact. energy: -3.249
local terms energy: -449.820382
where:
bonds (distance) C4'-P energy: -92.194
bonds (distance) P-C4' energy: -86.906
flat angles C4'-P-C4' energy: -88.245
flat angles P-C4'-P energy: -71.922
tors. eta vs tors. theta energy: -110.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1233.610305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.610305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.610305 (E_RNA)
where:
Base-Base interactions energy: -839.643
where: short stacking energy: -373.528
Base-Backbone interact. energy: -2.643
local terms energy: -391.323864
where:
bonds (distance) C4'-P energy: -72.304
bonds (distance) P-C4' energy: -75.228
flat angles C4'-P-C4' energy: -91.954
flat angles P-C4'-P energy: -51.101
tors. eta vs tors. theta energy: -100.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1086.035869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.035869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.035869 (E_RNA)
where:
Base-Base interactions energy: -722.244
where: short stacking energy: -324.097
Base-Backbone interact. energy: 3.039
local terms energy: -366.830282
where:
bonds (distance) C4'-P energy: -65.760
bonds (distance) P-C4' energy: -83.715
flat angles C4'-P-C4' energy: -90.942
flat angles P-C4'-P energy: -54.258
tors. eta vs tors. theta energy: -72.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -841.219050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.219050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.219050 (E_RNA)
where:
Base-Base interactions energy: -543.817
where: short stacking energy: -228.858
Base-Backbone interact. energy: -0.120
local terms energy: -297.281892
where:
bonds (distance) C4'-P energy: -60.120
bonds (distance) P-C4' energy: -79.413
flat angles C4'-P-C4' energy: -76.708
flat angles P-C4'-P energy: -51.774
tors. eta vs tors. theta energy: -29.267
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: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -784.663854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.663854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.663854 (E_RNA)
where:
Base-Base interactions energy: -453.482
where: short stacking energy: -226.969
Base-Backbone interact. energy: -0.596
local terms energy: -330.586299
where:
bonds (distance) C4'-P energy: -83.016
bonds (distance) P-C4' energy: -83.356
flat angles C4'-P-C4' energy: -91.220
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -39.763
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: 2
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -610.822616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.822616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.822616 (E_RNA)
where:
Base-Base interactions energy: -355.262
where: short stacking energy: -184.034
Base-Backbone interact. energy: 0.017
local terms energy: -255.578094
where:
bonds (distance) C4'-P energy: -78.909
bonds (distance) P-C4' energy: -70.464
flat angles C4'-P-C4' energy: -72.566
flat angles P-C4'-P energy: -26.296
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: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1568.759884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.759884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.759884 (E_RNA)
where:
Base-Base interactions energy: -1107.123
where: short stacking energy: -445.067
Base-Backbone interact. energy: -0.357
local terms energy: -461.280161
where:
bonds (distance) C4'-P energy: -93.363
bonds (distance) P-C4' energy: -89.752
flat angles C4'-P-C4' energy: -101.972
flat angles P-C4'-P energy: -54.761
tors. eta vs tors. theta energy: -121.432
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: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1500.792600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.792600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.792600 (E_RNA)
where:
Base-Base interactions energy: -1028.097
where: short stacking energy: -438.685
Base-Backbone interact. energy: -0.885
local terms energy: -471.810513
where:
bonds (distance) C4'-P energy: -99.366
bonds (distance) P-C4' energy: -89.879
flat angles C4'-P-C4' energy: -101.357
flat angles P-C4'-P energy: -60.947
tors. eta vs tors. theta energy: -120.262
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: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1487.408040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.408040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.408040 (E_RNA)
where:
Base-Base interactions energy: -1025.109
where: short stacking energy: -435.558
Base-Backbone interact. energy: -1.305
local terms energy: -460.993917
where:
bonds (distance) C4'-P energy: -78.882
bonds (distance) P-C4' energy: -92.137
flat angles C4'-P-C4' energy: -102.113
flat angles P-C4'-P energy: -62.668
tors. eta vs tors. theta energy: -125.195
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: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1391.927602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.927602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.927602 (E_RNA)
where:
Base-Base interactions energy: -954.133
where: short stacking energy: -410.403
Base-Backbone interact. energy: 1.468
local terms energy: -439.262153
where:
bonds (distance) C4'-P energy: -81.899
bonds (distance) P-C4' energy: -81.005
flat angles C4'-P-C4' energy: -106.551
flat angles P-C4'-P energy: -56.699
tors. eta vs tors. theta energy: -113.108
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: 5, replica: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1268.633217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.633217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.633217 (E_RNA)
where:
Base-Base interactions energy: -861.342
where: short stacking energy: -384.407
Base-Backbone interact. energy: -2.427
local terms energy: -404.864521
where:
bonds (distance) C4'-P energy: -78.885
bonds (distance) P-C4' energy: -91.890
flat angles C4'-P-C4' energy: -83.439
flat angles P-C4'-P energy: -51.686
tors. eta vs tors. theta energy: -98.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1208.598771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.598771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.598771 (E_RNA)
where:
Base-Base interactions energy: -812.405
where: short stacking energy: -361.865
Base-Backbone interact. energy: -3.456
local terms energy: -392.737569
where:
bonds (distance) C4'-P energy: -79.897
bonds (distance) P-C4' energy: -85.496
flat angles C4'-P-C4' energy: -90.755
flat angles P-C4'-P energy: -60.069
tors. eta vs tors. theta energy: -76.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1077.598896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.598896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.598896 (E_RNA)
where:
Base-Base interactions energy: -707.041
where: short stacking energy: -338.159
Base-Backbone interact. energy: 6.214
local terms energy: -376.771542
where:
bonds (distance) C4'-P energy: -70.796
bonds (distance) P-C4' energy: -84.337
flat angles C4'-P-C4' energy: -82.113
flat angles P-C4'-P energy: -56.903
tors. eta vs tors. theta energy: -82.623
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: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -860.463472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.463472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.463472 (E_RNA)
where:
Base-Base interactions energy: -540.323
where: short stacking energy: -257.037
Base-Backbone interact. energy: 0.219
local terms energy: -320.358891
where:
bonds (distance) C4'-P energy: -77.355
bonds (distance) P-C4' energy: -73.224
flat angles C4'-P-C4' energy: -72.054
flat angles P-C4'-P energy: -57.435
tors. eta vs tors. theta energy: -40.290
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: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -803.505235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.505235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.505235 (E_RNA)
where:
Base-Base interactions energy: -502.302
where: short stacking energy: -246.839
Base-Backbone interact. energy: 13.368
local terms energy: -314.570726
where:
bonds (distance) C4'-P energy: -60.419
bonds (distance) P-C4' energy: -84.696
flat angles C4'-P-C4' energy: -77.766
flat angles P-C4'-P energy: -50.459
tors. eta vs tors. theta energy: -41.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -661.022578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.022578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.022578 (E_RNA)
where:
Base-Base interactions energy: -394.196
where: short stacking energy: -193.178
Base-Backbone interact. energy: -2.105
local terms energy: -264.722056
where:
bonds (distance) C4'-P energy: -70.919
bonds (distance) P-C4' energy: -71.642
flat angles C4'-P-C4' energy: -68.097
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: -9.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1591.594916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.594916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.594916 (E_RNA)
where:
Base-Base interactions energy: -1109.053
where: short stacking energy: -453.675
Base-Backbone interact. energy: -3.696
local terms energy: -478.846088
where:
bonds (distance) C4'-P energy: -92.859
bonds (distance) P-C4' energy: -88.696
flat angles C4'-P-C4' energy: -100.455
flat angles P-C4'-P energy: -72.655
tors. eta vs tors. theta energy: -124.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1517.883749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.883749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.883749 (E_RNA)
where:
Base-Base interactions energy: -1054.815
where: short stacking energy: -444.464
Base-Backbone interact. energy: 4.655
local terms energy: -467.722988
where:
bonds (distance) C4'-P energy: -88.167
bonds (distance) P-C4' energy: -85.404
flat angles C4'-P-C4' energy: -102.875
flat angles P-C4'-P energy: -70.664
tors. eta vs tors. theta energy: -120.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1470.771098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.771098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.771098 (E_RNA)
where:
Base-Base interactions energy: -1014.928
where: short stacking energy: -437.536
Base-Backbone interact. energy: -2.732
local terms energy: -453.110600
where:
bonds (distance) C4'-P energy: -89.243
bonds (distance) P-C4' energy: -84.229
flat angles C4'-P-C4' energy: -95.877
flat angles P-C4'-P energy: -66.087
tors. eta vs tors. theta energy: -117.674
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: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1396.623416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.623416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.623416 (E_RNA)
where:
Base-Base interactions energy: -942.662
where: short stacking energy: -406.613
Base-Backbone interact. energy: 1.335
local terms energy: -455.296659
where:
bonds (distance) C4'-P energy: -93.340
bonds (distance) P-C4' energy: -95.077
flat angles C4'-P-C4' energy: -94.850
flat angles P-C4'-P energy: -55.471
tors. eta vs tors. theta energy: -116.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1261.420134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.420134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.420134 (E_RNA)
where:
Base-Base interactions energy: -855.072
where: short stacking energy: -386.091
Base-Backbone interact. energy: -0.637
local terms energy: -405.710848
where:
bonds (distance) C4'-P energy: -68.743
bonds (distance) P-C4' energy: -75.714
flat angles C4'-P-C4' energy: -92.347
flat angles P-C4'-P energy: -64.140
tors. eta vs tors. theta energy: -104.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1277.313425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.313425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.313425 (E_RNA)
where:
Base-Base interactions energy: -861.824
where: short stacking energy: -359.512
Base-Backbone interact. energy: -1.723
local terms energy: -413.766903
where:
bonds (distance) C4'-P energy: -82.537
bonds (distance) P-C4' energy: -88.794
flat angles C4'-P-C4' energy: -91.313
flat angles P-C4'-P energy: -59.011
tors. eta vs tors. theta energy: -92.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1110.872729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.872729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.872729 (E_RNA)
where:
Base-Base interactions energy: -739.814
where: short stacking energy: -329.787
Base-Backbone interact. energy: -0.338
local terms energy: -370.720610
where:
bonds (distance) C4'-P energy: -62.294
bonds (distance) P-C4' energy: -83.586
flat angles C4'-P-C4' energy: -94.846
flat angles P-C4'-P energy: -56.714
tors. eta vs tors. theta energy: -73.281
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: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -882.101910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.101910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.101910 (E_RNA)
where:
Base-Base interactions energy: -586.380
where: short stacking energy: -269.395
Base-Backbone interact. energy: -0.408
local terms energy: -295.314202
where:
bonds (distance) C4'-P energy: -85.218
bonds (distance) P-C4' energy: -73.659
flat angles C4'-P-C4' energy: -58.812
flat angles P-C4'-P energy: -33.646
tors. eta vs tors. theta energy: -43.979
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: 405
Temperature: 1.300000
Total energy: -809.207386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.207386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.207386 (E_RNA)
where:
Base-Base interactions energy: -502.653
where: short stacking energy: -241.579
Base-Backbone interact. energy: -2.173
local terms energy: -304.381191
where:
bonds (distance) C4'-P energy: -81.273
bonds (distance) P-C4' energy: -84.515
flat angles C4'-P-C4' energy: -66.225
flat angles P-C4'-P energy: -45.672
tors. eta vs tors. theta energy: -26.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -704.253668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.253668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.253668 (E_RNA)
where:
Base-Base interactions energy: -418.920
where: short stacking energy: -188.471
Base-Backbone interact. energy: 2.025
local terms energy: -287.358911
where:
bonds (distance) C4'-P energy: -66.639
bonds (distance) P-C4' energy: -76.799
flat angles C4'-P-C4' energy: -72.682
flat angles P-C4'-P energy: -56.114
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1535.059291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.059291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.059291 (E_RNA)
where:
Base-Base interactions energy: -1068.196
where: short stacking energy: -451.883
Base-Backbone interact. energy: -0.754
local terms energy: -466.108385
where:
bonds (distance) C4'-P energy: -97.290
bonds (distance) P-C4' energy: -82.050
flat angles C4'-P-C4' energy: -101.611
flat angles P-C4'-P energy: -61.962
tors. eta vs tors. theta energy: -123.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1517.879608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.879608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.879608 (E_RNA)
where:
Base-Base interactions energy: -1045.562
where: short stacking energy: -432.765
Base-Backbone interact. energy: -1.407
local terms energy: -470.909965
where:
bonds (distance) C4'-P energy: -83.486
bonds (distance) P-C4' energy: -99.708
flat angles C4'-P-C4' energy: -98.379
flat angles P-C4'-P energy: -66.982
tors. eta vs tors. theta energy: -122.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1452.221577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.221577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.221577 (E_RNA)
where:
Base-Base interactions energy: -985.976
where: short stacking energy: -425.837
Base-Backbone interact. energy: -4.657
local terms energy: -461.588477
where:
bonds (distance) C4'-P energy: -83.809
bonds (distance) P-C4' energy: -89.688
flat angles C4'-P-C4' energy: -101.717
flat angles P-C4'-P energy: -67.056
tors. eta vs tors. theta energy: -119.318
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: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1426.242837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.242837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.242837 (E_RNA)
where:
Base-Base interactions energy: -985.193
where: short stacking energy: -426.338
Base-Backbone interact. energy: -1.369
local terms energy: -439.680495
where:
bonds (distance) C4'-P energy: -88.575
bonds (distance) P-C4' energy: -77.300
flat angles C4'-P-C4' energy: -100.735
flat angles P-C4'-P energy: -53.738
tors. eta vs tors. theta energy: -119.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1341.125106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.125106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.125106 (E_RNA)
where:
Base-Base interactions energy: -910.466
where: short stacking energy: -406.057
Base-Backbone interact. energy: -3.009
local terms energy: -427.649996
where:
bonds (distance) C4'-P energy: -77.772
bonds (distance) P-C4' energy: -81.317
flat angles C4'-P-C4' energy: -88.799
flat angles P-C4'-P energy: -65.402
tors. eta vs tors. theta energy: -114.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1218.513397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.513397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.513397 (E_RNA)
where:
Base-Base interactions energy: -828.975
where: short stacking energy: -347.817
Base-Backbone interact. energy: -0.932
local terms energy: -388.606989
where:
bonds (distance) C4'-P energy: -88.348
bonds (distance) P-C4' energy: -66.602
flat angles C4'-P-C4' energy: -76.867
flat angles P-C4'-P energy: -65.400
tors. eta vs tors. theta energy: -91.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1063.333482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.333482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.333482 (E_RNA)
where:
Base-Base interactions energy: -704.558
where: short stacking energy: -321.355
Base-Backbone interact. energy: -0.528
local terms energy: -358.247810
where:
bonds (distance) C4'-P energy: -64.188
bonds (distance) P-C4' energy: -75.030
flat angles C4'-P-C4' energy: -88.581
flat angles P-C4'-P energy: -55.071
tors. eta vs tors. theta energy: -75.378
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: 406
Temperature: 1.250000
Total energy: -827.849378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.849378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.849378 (E_RNA)
where:
Base-Base interactions energy: -530.195
where: short stacking energy: -259.763
Base-Backbone interact. energy: -1.371
local terms energy: -296.283843
where:
bonds (distance) C4'-P energy: -66.462
bonds (distance) P-C4' energy: -85.214
flat angles C4'-P-C4' energy: -60.798
flat angles P-C4'-P energy: -54.860
tors. eta vs tors. theta energy: -28.950
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: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -786.386718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.386718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.386718 (E_RNA)
where:
Base-Base interactions energy: -491.455
where: short stacking energy: -225.027
Base-Backbone interact. energy: 4.798
local terms energy: -299.728997
where:
bonds (distance) C4'-P energy: -71.254
bonds (distance) P-C4' energy: -81.614
flat angles C4'-P-C4' energy: -54.889
flat angles P-C4'-P energy: -51.888
tors. eta vs tors. theta energy: -40.083
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: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -711.139719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.139719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.139719 (E_RNA)
where:
Base-Base interactions energy: -442.339
where: short stacking energy: -209.844
Base-Backbone interact. energy: -2.445
local terms energy: -266.356165
where:
bonds (distance) C4'-P energy: -71.893
bonds (distance) P-C4' energy: -73.435
flat angles C4'-P-C4' energy: -63.279
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -30.692
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: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1591.761317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.761317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.761317 (E_RNA)
where:
Base-Base interactions energy: -1127.494
where: short stacking energy: -467.925
Base-Backbone interact. energy: -2.036
local terms energy: -462.231274
where:
bonds (distance) C4'-P energy: -102.224
bonds (distance) P-C4' energy: -91.343
flat angles C4'-P-C4' energy: -94.022
flat angles P-C4'-P energy: -58.815
tors. eta vs tors. theta energy: -115.828
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: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1532.210120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.210120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.210120 (E_RNA)
where:
Base-Base interactions energy: -1069.780
where: short stacking energy: -458.503
Base-Backbone interact. energy: -2.980
local terms energy: -459.450258
where:
bonds (distance) C4'-P energy: -76.662
bonds (distance) P-C4' energy: -86.435
flat angles C4'-P-C4' energy: -110.437
flat angles P-C4'-P energy: -65.088
tors. eta vs tors. theta energy: -120.829
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: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1463.727877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.727877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.727877 (E_RNA)
where:
Base-Base interactions energy: -1036.805
where: short stacking energy: -435.822
Base-Backbone interact. energy: 2.637
local terms energy: -429.560055
where:
bonds (distance) C4'-P energy: -84.598
bonds (distance) P-C4' energy: -87.181
flat angles C4'-P-C4' energy: -86.389
flat angles P-C4'-P energy: -55.983
tors. eta vs tors. theta energy: -115.409
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: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1434.071920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.071920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.071920 (E_RNA)
where:
Base-Base interactions energy: -978.457
where: short stacking energy: -405.454
Base-Backbone interact. energy: -0.684
local terms energy: -454.931066
where:
bonds (distance) C4'-P energy: -83.757
bonds (distance) P-C4' energy: -85.797
flat angles C4'-P-C4' energy: -101.572
flat angles P-C4'-P energy: -64.093
tors. eta vs tors. theta energy: -119.712
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: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1365.751333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.751333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.751333 (E_RNA)
where:
Base-Base interactions energy: -922.064
where: short stacking energy: -406.218
Base-Backbone interact. energy: -2.765
local terms energy: -440.922249
where:
bonds (distance) C4'-P energy: -85.459
bonds (distance) P-C4' energy: -88.876
flat angles C4'-P-C4' energy: -94.796
flat angles P-C4'-P energy: -52.320
tors. eta vs tors. theta energy: -119.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1219.951014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.951014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.951014 (E_RNA)
where:
Base-Base interactions energy: -818.436
where: short stacking energy: -363.221
Base-Backbone interact. energy: 1.302
local terms energy: -402.816927
where:
bonds (distance) C4'-P energy: -84.346
bonds (distance) P-C4' energy: -88.675
flat angles C4'-P-C4' energy: -82.570
flat angles P-C4'-P energy: -60.313
tors. eta vs tors. theta energy: -86.913
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: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1063.294787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.294787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.294787 (E_RNA)
where:
Base-Base interactions energy: -698.248
where: short stacking energy: -307.567
Base-Backbone interact. energy: -2.293
local terms energy: -362.753729
where:
bonds (distance) C4'-P energy: -61.143
bonds (distance) P-C4' energy: -102.726
flat angles C4'-P-C4' energy: -91.638
flat angles P-C4'-P energy: -52.030
tors. eta vs tors. theta energy: -55.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -854.279756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.279756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.279756 (E_RNA)
where:
Base-Base interactions energy: -543.859
where: short stacking energy: -227.288
Base-Backbone interact. energy: -1.953
local terms energy: -308.467700
where:
bonds (distance) C4'-P energy: -75.182
bonds (distance) P-C4' energy: -78.386
flat angles C4'-P-C4' energy: -73.074
flat angles P-C4'-P energy: -51.292
tors. eta vs tors. theta energy: -30.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -707.245452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.245452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.245452 (E_RNA)
where:
Base-Base interactions energy: -416.029
where: short stacking energy: -193.271
Base-Backbone interact. energy: -1.119
local terms energy: -290.097721
where:
bonds (distance) C4'-P energy: -66.222
bonds (distance) P-C4' energy: -80.627
flat angles C4'-P-C4' energy: -68.027
flat angles P-C4'-P energy: -56.099
tors. eta vs tors. theta energy: -19.122
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: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -741.999408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.999408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.999408 (E_RNA)
where:
Base-Base interactions energy: -437.359
where: short stacking energy: -217.354
Base-Backbone interact. energy: -0.534
local terms energy: -304.106115
where:
bonds (distance) C4'-P energy: -73.797
bonds (distance) P-C4' energy: -76.109
flat angles C4'-P-C4' energy: -80.706
flat angles P-C4'-P energy: -39.669
tors. eta vs tors. theta energy: -33.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1549.839329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.839329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.839329 (E_RNA)
where:
Base-Base interactions energy: -1079.316
where: short stacking energy: -432.471
Base-Backbone interact. energy: -3.390
local terms energy: -467.133330
where:
bonds (distance) C4'-P energy: -83.178
bonds (distance) P-C4' energy: -102.203
flat angles C4'-P-C4' energy: -92.630
flat angles P-C4'-P energy: -76.319
tors. eta vs tors. theta energy: -112.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1535.923815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.923815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.923815 (E_RNA)
where:
Base-Base interactions energy: -1065.473
where: short stacking energy: -454.909
Base-Backbone interact. energy: 0.094
local terms energy: -470.544834
where:
bonds (distance) C4'-P energy: -82.226
bonds (distance) P-C4' energy: -86.244
flat angles C4'-P-C4' energy: -106.686
flat angles P-C4'-P energy: -66.807
tors. eta vs tors. theta energy: -128.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1478.986128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.986128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.986128 (E_RNA)
where:
Base-Base interactions energy: -1018.768
where: short stacking energy: -443.310
Base-Backbone interact. energy: 0.958
local terms energy: -461.175763
where:
bonds (distance) C4'-P energy: -75.954
bonds (distance) P-C4' energy: -92.041
flat angles C4'-P-C4' energy: -106.276
flat angles P-C4'-P energy: -65.555
tors. eta vs tors. theta energy: -121.349
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: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1405.009708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.009708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.009708 (E_RNA)
where:
Base-Base interactions energy: -957.854
where: short stacking energy: -408.833
Base-Backbone interact. energy: -0.991
local terms energy: -446.164762
where:
bonds (distance) C4'-P energy: -82.742
bonds (distance) P-C4' energy: -96.301
flat angles C4'-P-C4' energy: -94.459
flat angles P-C4'-P energy: -60.812
tors. eta vs tors. theta energy: -111.851
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: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1306.179885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.179885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.179885 (E_RNA)
where:
Base-Base interactions energy: -860.050
where: short stacking energy: -385.006
Base-Backbone interact. energy: -3.507
local terms energy: -442.623071
where:
bonds (distance) C4'-P energy: -86.596
bonds (distance) P-C4' energy: -89.214
flat angles C4'-P-C4' energy: -85.516
flat angles P-C4'-P energy: -63.898
tors. eta vs tors. theta energy: -117.400
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: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1227.168688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.168688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.168688 (E_RNA)
where:
Base-Base interactions energy: -835.533
where: short stacking energy: -365.480
Base-Backbone interact. energy: -3.475
local terms energy: -388.160890
where:
bonds (distance) C4'-P energy: -85.960
bonds (distance) P-C4' energy: -82.024
flat angles C4'-P-C4' energy: -90.065
flat angles P-C4'-P energy: -42.984
tors. eta vs tors. theta energy: -87.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1075.422970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.422970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.422970 (E_RNA)
where:
Base-Base interactions energy: -733.280
where: short stacking energy: -296.293
Base-Backbone interact. energy: -2.859
local terms energy: -339.284326
where:
bonds (distance) C4'-P energy: -71.800
bonds (distance) P-C4' energy: -89.086
flat angles C4'-P-C4' energy: -72.707
flat angles P-C4'-P energy: -43.690
tors. eta vs tors. theta energy: -62.001
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: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -882.881581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.881581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.881581 (E_RNA)
where:
Base-Base interactions energy: -559.487
where: short stacking energy: -268.564
Base-Backbone interact. energy: -1.804
local terms energy: -321.590456
where:
bonds (distance) C4'-P energy: -76.459
bonds (distance) P-C4' energy: -87.118
flat angles C4'-P-C4' energy: -77.963
flat angles P-C4'-P energy: -25.335
tors. eta vs tors. theta energy: -54.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -729.674384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.674384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.674384 (E_RNA)
where:
Base-Base interactions energy: -441.489
where: short stacking energy: -218.414
Base-Backbone interact. energy: 3.146
local terms energy: -291.331252
where:
bonds (distance) C4'-P energy: -61.831
bonds (distance) P-C4' energy: -73.494
flat angles C4'-P-C4' energy: -85.536
flat angles P-C4'-P energy: -38.610
tors. eta vs tors. theta energy: -31.860
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: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -666.933452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.933452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.933452 (E_RNA)
where:
Base-Base interactions energy: -368.318
where: short stacking energy: -176.630
Base-Backbone interact. energy: 1.217
local terms energy: -299.832255
where:
bonds (distance) C4'-P energy: -85.260
bonds (distance) P-C4' energy: -70.631
flat angles C4'-P-C4' energy: -76.075
flat angles P-C4'-P energy: -48.242
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1565.677854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.677854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.677854 (E_RNA)
where:
Base-Base interactions energy: -1091.966
where: short stacking energy: -457.758
Base-Backbone interact. energy: -0.247
local terms energy: -473.465177
where:
bonds (distance) C4'-P energy: -93.699
bonds (distance) P-C4' energy: -89.623
flat angles C4'-P-C4' energy: -93.307
flat angles P-C4'-P energy: -71.857
tors. eta vs tors. theta energy: -124.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1553.204330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.204330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.204330 (E_RNA)
where:
Base-Base interactions energy: -1074.140
where: short stacking energy: -436.330
Base-Backbone interact. energy: -3.523
local terms energy: -475.541098
where:
bonds (distance) C4'-P energy: -90.660
bonds (distance) P-C4' energy: -87.034
flat angles C4'-P-C4' energy: -103.387
flat angles P-C4'-P energy: -65.353
tors. eta vs tors. theta energy: -129.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1506.949346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.949346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.949346 (E_RNA)
where:
Base-Base interactions energy: -1042.099
where: short stacking energy: -447.106
Base-Backbone interact. energy: -1.485
local terms energy: -463.365380
where:
bonds (distance) C4'-P energy: -80.358
bonds (distance) P-C4' energy: -87.485
flat angles C4'-P-C4' energy: -105.136
flat angles P-C4'-P energy: -68.913
tors. eta vs tors. theta energy: -121.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1360.862854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.862854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.862854 (E_RNA)
where:
Base-Base interactions energy: -914.034
where: short stacking energy: -393.317
Base-Backbone interact. energy: -1.301
local terms energy: -445.527910
where:
bonds (distance) C4'-P energy: -78.174
bonds (distance) P-C4' energy: -92.280
flat angles C4'-P-C4' energy: -104.379
flat angles P-C4'-P energy: -65.028
tors. eta vs tors. theta energy: -105.667
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: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1333.634857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.634857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.634857 (E_RNA)
where:
Base-Base interactions energy: -907.259
where: short stacking energy: -391.903
Base-Backbone interact. energy: 1.877
local terms energy: -428.252872
where:
bonds (distance) C4'-P energy: -79.860
bonds (distance) P-C4' energy: -93.256
flat angles C4'-P-C4' energy: -99.220
flat angles P-C4'-P energy: -48.439
tors. eta vs tors. theta energy: -107.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1265.900527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.900527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.900527 (E_RNA)
where:
Base-Base interactions energy: -855.444
where: short stacking energy: -356.240
Base-Backbone interact. energy: -1.078
local terms energy: -409.377817
where:
bonds (distance) C4'-P energy: -93.781
bonds (distance) P-C4' energy: -67.247
flat angles C4'-P-C4' energy: -96.947
flat angles P-C4'-P energy: -55.572
tors. eta vs tors. theta energy: -95.831
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: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1068.137083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.137083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.137083 (E_RNA)
where:
Base-Base interactions energy: -711.289
where: short stacking energy: -324.109
Base-Backbone interact. energy: -2.483
local terms energy: -354.365032
where:
bonds (distance) C4'-P energy: -74.471
bonds (distance) P-C4' energy: -77.277
flat angles C4'-P-C4' energy: -83.826
flat angles P-C4'-P energy: -53.358
tors. eta vs tors. theta energy: -65.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -860.821592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.821592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.821592 (E_RNA)
where:
Base-Base interactions energy: -535.056
where: short stacking energy: -232.560
Base-Backbone interact. energy: 1.330
local terms energy: -327.095725
where:
bonds (distance) C4'-P energy: -68.070
bonds (distance) P-C4' energy: -75.513
flat angles C4'-P-C4' energy: -85.795
flat angles P-C4'-P energy: -40.826
tors. eta vs tors. theta energy: -56.892
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: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -691.374995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.374995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.374995 (E_RNA)
where:
Base-Base interactions energy: -407.601
where: short stacking energy: -208.165
Base-Backbone interact. energy: 4.097
local terms energy: -287.870763
where:
bonds (distance) C4'-P energy: -70.728
bonds (distance) P-C4' energy: -72.347
flat angles C4'-P-C4' energy: -83.829
flat angles P-C4'-P energy: -39.097
tors. eta vs tors. theta energy: -21.869
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: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -730.867972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.867972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.867972 (E_RNA)
where:
Base-Base interactions energy: -442.486
where: short stacking energy: -209.128
Base-Backbone interact. energy: 0.755
local terms energy: -289.137295
where:
bonds (distance) C4'-P energy: -72.232
bonds (distance) P-C4' energy: -58.749
flat angles C4'-P-C4' energy: -68.746
flat angles P-C4'-P energy: -61.500
tors. eta vs tors. theta energy: -27.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1598.090287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.090287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.090287 (E_RNA)
where:
Base-Base interactions energy: -1098.301
where: short stacking energy: -464.308
Base-Backbone interact. energy: 0.178
local terms energy: -499.967073
where:
bonds (distance) C4'-P energy: -97.655
bonds (distance) P-C4' energy: -91.219
flat angles C4'-P-C4' energy: -100.151
flat angles P-C4'-P energy: -74.314
tors. eta vs tors. theta energy: -136.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1535.015492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.015492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.015492 (E_RNA)
where:
Base-Base interactions energy: -1066.119
where: short stacking energy: -435.692
Base-Backbone interact. energy: -2.233
local terms energy: -466.662839
where:
bonds (distance) C4'-P energy: -87.590
bonds (distance) P-C4' energy: -94.691
flat angles C4'-P-C4' energy: -97.205
flat angles P-C4'-P energy: -64.573
tors. eta vs tors. theta energy: -122.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1496.417234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.417234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.417234 (E_RNA)
where:
Base-Base interactions energy: -1044.342
where: short stacking energy: -461.612
Base-Backbone interact. energy: 1.573
local terms energy: -453.647440
where:
bonds (distance) C4'-P energy: -70.478
bonds (distance) P-C4' energy: -92.428
flat angles C4'-P-C4' energy: -94.196
flat angles P-C4'-P energy: -70.039
tors. eta vs tors. theta energy: -126.507
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: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1346.643020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.643020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.643020 (E_RNA)
where:
Base-Base interactions energy: -935.507
where: short stacking energy: -394.428
Base-Backbone interact. energy: -0.826
local terms energy: -410.310057
where:
bonds (distance) C4'-P energy: -71.658
bonds (distance) P-C4' energy: -81.586
flat angles C4'-P-C4' energy: -94.013
flat angles P-C4'-P energy: -50.582
tors. eta vs tors. theta energy: -112.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1305.290290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.290290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.290290 (E_RNA)
where:
Base-Base interactions energy: -880.456
where: short stacking energy: -394.213
Base-Backbone interact. energy: 0.213
local terms energy: -425.047805
where:
bonds (distance) C4'-P energy: -94.099
bonds (distance) P-C4' energy: -81.288
flat angles C4'-P-C4' energy: -90.197
flat angles P-C4'-P energy: -60.280
tors. eta vs tors. theta energy: -99.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1289.099026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.099026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.099026 (E_RNA)
where:
Base-Base interactions energy: -851.455
where: short stacking energy: -383.143
Base-Backbone interact. energy: -0.493
local terms energy: -437.151255
where:
bonds (distance) C4'-P energy: -78.687
bonds (distance) P-C4' energy: -83.612
flat angles C4'-P-C4' energy: -95.604
flat angles P-C4'-P energy: -63.479
tors. eta vs tors. theta energy: -115.769
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: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1091.410698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.410698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.410698 (E_RNA)
where:
Base-Base interactions energy: -724.712
where: short stacking energy: -320.900
Base-Backbone interact. energy: -0.534
local terms energy: -366.164690
where:
bonds (distance) C4'-P energy: -59.526
bonds (distance) P-C4' energy: -82.493
flat angles C4'-P-C4' energy: -87.839
flat angles P-C4'-P energy: -61.003
tors. eta vs tors. theta energy: -75.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -852.728997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.728997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.728997 (E_RNA)
where:
Base-Base interactions energy: -522.037
where: short stacking energy: -246.832
Base-Backbone interact. energy: -0.442
local terms energy: -330.250166
where:
bonds (distance) C4'-P energy: -79.271
bonds (distance) P-C4' energy: -65.721
flat angles C4'-P-C4' energy: -81.129
flat angles P-C4'-P energy: -48.555
tors. eta vs tors. theta energy: -55.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -812.692980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.692980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.692980 (E_RNA)
where:
Base-Base interactions energy: -514.563
where: short stacking energy: -223.190
Base-Backbone interact. energy: -1.266
local terms energy: -296.864332
where:
bonds (distance) C4'-P energy: -74.670
bonds (distance) P-C4' energy: -83.264
flat angles C4'-P-C4' energy: -77.249
flat angles P-C4'-P energy: -34.770
tors. eta vs tors. theta energy: -26.911
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: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -643.561210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.561210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.561210 (E_RNA)
where:
Base-Base interactions energy: -383.292
where: short stacking energy: -184.487
Base-Backbone interact. energy: 1.710
local terms energy: -261.979775
where:
bonds (distance) C4'-P energy: -75.317
bonds (distance) P-C4' energy: -75.943
flat angles C4'-P-C4' energy: -70.656
flat angles P-C4'-P energy: -25.775
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1594.082988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.082988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.082988 (E_RNA)
where:
Base-Base interactions energy: -1098.368
where: short stacking energy: -465.338
Base-Backbone interact. energy: -1.006
local terms energy: -494.708926
where:
bonds (distance) C4'-P energy: -85.606
bonds (distance) P-C4' energy: -92.771
flat angles C4'-P-C4' energy: -109.227
flat angles P-C4'-P energy: -72.551
tors. eta vs tors. theta energy: -134.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1535.760742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.760742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.760742 (E_RNA)
where:
Base-Base interactions energy: -1081.139
where: short stacking energy: -431.652
Base-Backbone interact. energy: -2.608
local terms energy: -452.012984
where:
bonds (distance) C4'-P energy: -83.373
bonds (distance) P-C4' energy: -93.420
flat angles C4'-P-C4' energy: -93.654
flat angles P-C4'-P energy: -66.447
tors. eta vs tors. theta energy: -115.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1461.093075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.093075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.093075 (E_RNA)
where:
Base-Base interactions energy: -999.506
where: short stacking energy: -410.579
Base-Backbone interact. energy: 2.068
local terms energy: -463.654483
where:
bonds (distance) C4'-P energy: -93.270
bonds (distance) P-C4' energy: -92.696
flat angles C4'-P-C4' energy: -103.444
flat angles P-C4'-P energy: -59.381
tors. eta vs tors. theta energy: -114.863
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: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1355.610331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.610331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.610331 (E_RNA)
where:
Base-Base interactions energy: -916.246
where: short stacking energy: -389.788
Base-Backbone interact. energy: -1.426
local terms energy: -437.937891
where:
bonds (distance) C4'-P energy: -82.305
bonds (distance) P-C4' energy: -87.339
flat angles C4'-P-C4' energy: -93.138
flat angles P-C4'-P energy: -59.254
tors. eta vs tors. theta energy: -115.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1328.180510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.180510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.180510 (E_RNA)
where:
Base-Base interactions energy: -904.370
where: short stacking energy: -408.471
Base-Backbone interact. energy: -1.735
local terms energy: -422.075637
where:
bonds (distance) C4'-P energy: -83.882
bonds (distance) P-C4' energy: -84.482
flat angles C4'-P-C4' energy: -89.731
flat angles P-C4'-P energy: -51.582
tors. eta vs tors. theta energy: -112.398
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: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1297.485034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.485034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.485034 (E_RNA)
where:
Base-Base interactions energy: -875.394
where: short stacking energy: -404.064
Base-Backbone interact. energy: -3.354
local terms energy: -418.737283
where:
bonds (distance) C4'-P energy: -85.422
bonds (distance) P-C4' energy: -84.019
flat angles C4'-P-C4' energy: -94.410
flat angles P-C4'-P energy: -49.429
tors. eta vs tors. theta energy: -105.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1107.928416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.928416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.928416 (E_RNA)
where:
Base-Base interactions energy: -715.852
where: short stacking energy: -312.945
Base-Backbone interact. energy: -1.494
local terms energy: -390.582920
where:
bonds (distance) C4'-P energy: -83.031
bonds (distance) P-C4' energy: -89.584
flat angles C4'-P-C4' energy: -71.535
flat angles P-C4'-P energy: -68.588
tors. eta vs tors. theta energy: -77.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -892.517245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.517245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.517245 (E_RNA)
where:
Base-Base interactions energy: -573.002
where: short stacking energy: -239.750
Base-Backbone interact. energy: 4.384
local terms energy: -323.899309
where:
bonds (distance) C4'-P energy: -71.851
bonds (distance) P-C4' energy: -82.785
flat angles C4'-P-C4' energy: -73.787
flat angles P-C4'-P energy: -54.598
tors. eta vs tors. theta energy: -40.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -818.445607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.445607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.445607 (E_RNA)
where:
Base-Base interactions energy: -524.174
where: short stacking energy: -245.022
Base-Backbone interact. energy: -1.110
local terms energy: -293.161085
where:
bonds (distance) C4'-P energy: -68.093
bonds (distance) P-C4' energy: -63.313
flat angles C4'-P-C4' energy: -79.100
flat angles P-C4'-P energy: -44.830
tors. eta vs tors. theta energy: -37.825
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: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -673.396989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.396989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.396989 (E_RNA)
where:
Base-Base interactions energy: -397.084
where: short stacking energy: -179.828
Base-Backbone interact. energy: 1.770
local terms energy: -278.083624
where:
bonds (distance) C4'-P energy: -79.652
bonds (distance) P-C4' energy: -60.588
flat angles C4'-P-C4' energy: -68.958
flat angles P-C4'-P energy: -53.060
tors. eta vs tors. theta energy: -15.827
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: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1568.292874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.292874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.292874 (E_RNA)
where:
Base-Base interactions energy: -1080.027
where: short stacking energy: -457.448
Base-Backbone interact. energy: -3.060
local terms energy: -485.206335
where:
bonds (distance) C4'-P energy: -95.816
bonds (distance) P-C4' energy: -88.269
flat angles C4'-P-C4' energy: -98.901
flat angles P-C4'-P energy: -70.730
tors. eta vs tors. theta energy: -131.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1542.239156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.239156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.239156 (E_RNA)
where:
Base-Base interactions energy: -1086.005
where: short stacking energy: -463.247
Base-Backbone interact. energy: -1.558
local terms energy: -454.675489
where:
bonds (distance) C4'-P energy: -86.294
bonds (distance) P-C4' energy: -89.075
flat angles C4'-P-C4' energy: -91.630
flat angles P-C4'-P energy: -65.930
tors. eta vs tors. theta energy: -121.747
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: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1452.672339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.672339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.672339 (E_RNA)
where:
Base-Base interactions energy: -971.565
where: short stacking energy: -427.694
Base-Backbone interact. energy: 2.393
local terms energy: -483.501236
where:
bonds (distance) C4'-P energy: -93.198
bonds (distance) P-C4' energy: -104.621
flat angles C4'-P-C4' energy: -104.234
flat angles P-C4'-P energy: -59.943
tors. eta vs tors. theta energy: -121.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1379.372691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.372691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.372691 (E_RNA)
where:
Base-Base interactions energy: -935.926
where: short stacking energy: -403.802
Base-Backbone interact. energy: -1.487
local terms energy: -441.959498
where:
bonds (distance) C4'-P energy: -75.671
bonds (distance) P-C4' energy: -79.502
flat angles C4'-P-C4' energy: -108.405
flat angles P-C4'-P energy: -68.722
tors. eta vs tors. theta energy: -109.660
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: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1383.793729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.793729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.793729 (E_RNA)
where:
Base-Base interactions energy: -944.527
where: short stacking energy: -431.037
Base-Backbone interact. energy: -0.527
local terms energy: -438.740526
where:
bonds (distance) C4'-P energy: -74.832
bonds (distance) P-C4' energy: -92.819
flat angles C4'-P-C4' energy: -89.495
flat angles P-C4'-P energy: -68.732
tors. eta vs tors. theta energy: -112.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1223.917246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.917246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.917246 (E_RNA)
where:
Base-Base interactions energy: -815.586
where: short stacking energy: -350.248
Base-Backbone interact. energy: 1.560
local terms energy: -409.891753
where:
bonds (distance) C4'-P energy: -77.817
bonds (distance) P-C4' energy: -80.539
flat angles C4'-P-C4' energy: -90.390
flat angles P-C4'-P energy: -57.918
tors. eta vs tors. theta energy: -103.228
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: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1084.769881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.769881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.769881 (E_RNA)
where:
Base-Base interactions energy: -725.874
where: short stacking energy: -321.503
Base-Backbone interact. energy: -1.963
local terms energy: -356.932410
where:
bonds (distance) C4'-P energy: -65.209
bonds (distance) P-C4' energy: -79.593
flat angles C4'-P-C4' energy: -89.354
flat angles P-C4'-P energy: -50.896
tors. eta vs tors. theta energy: -71.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -951.749511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.749511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.749511 (E_RNA)
where:
Base-Base interactions energy: -626.340
where: short stacking energy: -300.402
Base-Backbone interact. energy: -0.178
local terms energy: -325.231470
where:
bonds (distance) C4'-P energy: -75.580
bonds (distance) P-C4' energy: -84.740
flat angles C4'-P-C4' energy: -73.585
flat angles P-C4'-P energy: -37.528
tors. eta vs tors. theta energy: -53.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -778.055709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.055709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.055709 (E_RNA)
where:
Base-Base interactions energy: -476.199
where: short stacking energy: -228.391
Base-Backbone interact. energy: -0.821
local terms energy: -301.034999
where:
bonds (distance) C4'-P energy: -79.727
bonds (distance) P-C4' energy: -81.430
flat angles C4'-P-C4' energy: -60.082
flat angles P-C4'-P energy: -50.165
tors. eta vs tors. theta energy: -29.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -662.634182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.634182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.634182 (E_RNA)
where:
Base-Base interactions energy: -393.617
where: short stacking energy: -187.513
Base-Backbone interact. energy: 3.450
local terms energy: -272.467487
where:
bonds (distance) C4'-P energy: -65.947
bonds (distance) P-C4' energy: -80.711
flat angles C4'-P-C4' energy: -68.571
flat angles P-C4'-P energy: -39.803
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1588.224924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.224924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.224924 (E_RNA)
where:
Base-Base interactions energy: -1114.586
where: short stacking energy: -480.829
Base-Backbone interact. energy: -0.376
local terms energy: -473.262553
where:
bonds (distance) C4'-P energy: -86.489
bonds (distance) P-C4' energy: -95.872
flat angles C4'-P-C4' energy: -96.374
flat angles P-C4'-P energy: -65.365
tors. eta vs tors. theta energy: -129.163
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: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1547.587620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.587620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.587620 (E_RNA)
where:
Base-Base interactions energy: -1093.862
where: short stacking energy: -446.788
Base-Backbone interact. energy: -0.016
local terms energy: -453.709097
where:
bonds (distance) C4'-P energy: -92.657
bonds (distance) P-C4' energy: -90.044
flat angles C4'-P-C4' energy: -91.527
flat angles P-C4'-P energy: -66.223
tors. eta vs tors. theta energy: -113.259
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: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1477.189769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.189769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.189769 (E_RNA)
where:
Base-Base interactions energy: -1017.629
where: short stacking energy: -421.200
Base-Backbone interact. energy: -2.656
local terms energy: -456.905598
where:
bonds (distance) C4'-P energy: -83.700
bonds (distance) P-C4' energy: -96.086
flat angles C4'-P-C4' energy: -93.996
flat angles P-C4'-P energy: -62.845
tors. eta vs tors. theta energy: -120.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1390.975677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.975677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.975677 (E_RNA)
where:
Base-Base interactions energy: -950.897
where: short stacking energy: -416.696
Base-Backbone interact. energy: 0.967
local terms energy: -441.045952
where:
bonds (distance) C4'-P energy: -81.291
bonds (distance) P-C4' energy: -98.316
flat angles C4'-P-C4' energy: -88.209
flat angles P-C4'-P energy: -53.538
tors. eta vs tors. theta energy: -119.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1349.378654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.378654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.378654 (E_RNA)
where:
Base-Base interactions energy: -919.643
where: short stacking energy: -395.050
Base-Backbone interact. energy: -0.028
local terms energy: -429.707256
where:
bonds (distance) C4'-P energy: -77.449
bonds (distance) P-C4' energy: -81.400
flat angles C4'-P-C4' energy: -103.348
flat angles P-C4'-P energy: -52.198
tors. eta vs tors. theta energy: -115.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1226.274152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.274152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.274152 (E_RNA)
where:
Base-Base interactions energy: -834.944
where: short stacking energy: -368.386
Base-Backbone interact. energy: 1.370
local terms energy: -392.700385
where:
bonds (distance) C4'-P energy: -71.558
bonds (distance) P-C4' energy: -82.384
flat angles C4'-P-C4' energy: -86.894
flat angles P-C4'-P energy: -62.229
tors. eta vs tors. theta energy: -89.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1112.767358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.767358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.767358 (E_RNA)
where:
Base-Base interactions energy: -725.251
where: short stacking energy: -334.643
Base-Backbone interact. energy: 1.340
local terms energy: -388.856834
where:
bonds (distance) C4'-P energy: -74.080
bonds (distance) P-C4' energy: -80.375
flat angles C4'-P-C4' energy: -91.688
flat angles P-C4'-P energy: -65.230
tors. eta vs tors. theta energy: -77.484
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: 413
Temperature: 1.250000
Total energy: -939.681957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.681957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.681957 (E_RNA)
where:
Base-Base interactions energy: -617.590
where: short stacking energy: -255.174
Base-Backbone interact. energy: 4.072
local terms energy: -326.163885
where:
bonds (distance) C4'-P energy: -57.359
bonds (distance) P-C4' energy: -74.799
flat angles C4'-P-C4' energy: -84.999
flat angles P-C4'-P energy: -53.645
tors. eta vs tors. theta energy: -55.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -804.228305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.228305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.228305 (E_RNA)
where:
Base-Base interactions energy: -479.588
where: short stacking energy: -215.846
Base-Backbone interact. energy: -1.456
local terms energy: -323.183677
where:
bonds (distance) C4'-P energy: -82.222
bonds (distance) P-C4' energy: -82.389
flat angles C4'-P-C4' energy: -72.188
flat angles P-C4'-P energy: -47.996
tors. eta vs tors. theta energy: -38.388
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: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -739.901792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.901792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.901792 (E_RNA)
where:
Base-Base interactions energy: -428.239
where: short stacking energy: -203.317
Base-Backbone interact. energy: -2.607
local terms energy: -309.055073
where:
bonds (distance) C4'-P energy: -75.953
bonds (distance) P-C4' energy: -98.287
flat angles C4'-P-C4' energy: -63.834
flat angles P-C4'-P energy: -39.829
tors. eta vs tors. theta energy: -31.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1597.371040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.371040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.371040 (E_RNA)
where:
Base-Base interactions energy: -1089.058
where: short stacking energy: -460.628
Base-Backbone interact. energy: -1.112
local terms energy: -507.200407
where:
bonds (distance) C4'-P energy: -86.789
bonds (distance) P-C4' energy: -101.299
flat angles C4'-P-C4' energy: -117.340
flat angles P-C4'-P energy: -63.734
tors. eta vs tors. theta energy: -138.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1548.217287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.217287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.217287 (E_RNA)
where:
Base-Base interactions energy: -1082.609
where: short stacking energy: -468.952
Base-Backbone interact. energy: 1.299
local terms energy: -466.907410
where:
bonds (distance) C4'-P energy: -90.758
bonds (distance) P-C4' energy: -90.650
flat angles C4'-P-C4' energy: -101.230
flat angles P-C4'-P energy: -56.628
tors. eta vs tors. theta energy: -127.641
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: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1471.494139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.494139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.494139 (E_RNA)
where:
Base-Base interactions energy: -1018.043
where: short stacking energy: -450.222
Base-Backbone interact. energy: -0.889
local terms energy: -452.562785
where:
bonds (distance) C4'-P energy: -76.808
bonds (distance) P-C4' energy: -82.820
flat angles C4'-P-C4' energy: -100.913
flat angles P-C4'-P energy: -65.256
tors. eta vs tors. theta energy: -126.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1401.073512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.073512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.073512 (E_RNA)
where:
Base-Base interactions energy: -954.957
where: short stacking energy: -422.296
Base-Backbone interact. energy: -1.461
local terms energy: -444.655456
where:
bonds (distance) C4'-P energy: -89.465
bonds (distance) P-C4' energy: -92.733
flat angles C4'-P-C4' energy: -89.295
flat angles P-C4'-P energy: -49.419
tors. eta vs tors. theta energy: -123.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1303.239916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.239916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.239916 (E_RNA)
where:
Base-Base interactions energy: -889.619
where: short stacking energy: -391.616
Base-Backbone interact. energy: -1.174
local terms energy: -412.446658
where:
bonds (distance) C4'-P energy: -80.895
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -79.468
flat angles P-C4'-P energy: -59.235
tors. eta vs tors. theta energy: -105.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1239.018837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.018837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.018837 (E_RNA)
where:
Base-Base interactions energy: -832.243
where: short stacking energy: -354.647
Base-Backbone interact. energy: -2.550
local terms energy: -404.225027
where:
bonds (distance) C4'-P energy: -89.071
bonds (distance) P-C4' energy: -78.321
flat angles C4'-P-C4' energy: -87.067
flat angles P-C4'-P energy: -63.420
tors. eta vs tors. theta energy: -86.346
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: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1154.089495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.089495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.089495 (E_RNA)
where:
Base-Base interactions energy: -763.877
where: short stacking energy: -330.230
Base-Backbone interact. energy: 0.174
local terms energy: -390.386052
where:
bonds (distance) C4'-P energy: -75.648
bonds (distance) P-C4' energy: -78.555
flat angles C4'-P-C4' energy: -86.591
flat angles P-C4'-P energy: -66.881
tors. eta vs tors. theta energy: -82.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -972.061309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.061309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.061309 (E_RNA)
where:
Base-Base interactions energy: -633.168
where: short stacking energy: -265.397
Base-Backbone interact. energy: 0.529
local terms energy: -339.422654
where:
bonds (distance) C4'-P energy: -85.968
bonds (distance) P-C4' energy: -76.285
flat angles C4'-P-C4' energy: -74.424
flat angles P-C4'-P energy: -47.978
tors. eta vs tors. theta energy: -54.767
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: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -803.468278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.468278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.468278 (E_RNA)
where:
Base-Base interactions energy: -494.763
where: short stacking energy: -220.093
Base-Backbone interact. energy: -1.743
local terms energy: -306.962563
where:
bonds (distance) C4'-P energy: -76.433
bonds (distance) P-C4' energy: -92.773
flat angles C4'-P-C4' energy: -63.150
flat angles P-C4'-P energy: -34.822
tors. eta vs tors. theta energy: -39.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -694.344331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.344331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.344331 (E_RNA)
where:
Base-Base interactions energy: -406.743
where: short stacking energy: -194.930
Base-Backbone interact. energy: -1.456
local terms energy: -286.145918
where:
bonds (distance) C4'-P energy: -65.410
bonds (distance) P-C4' energy: -93.264
flat angles C4'-P-C4' energy: -72.841
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1582.688891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.688891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.688891 (E_RNA)
where:
Base-Base interactions energy: -1097.717
where: short stacking energy: -447.749
Base-Backbone interact. energy: -1.720
local terms energy: -483.252441
where:
bonds (distance) C4'-P energy: -95.683
bonds (distance) P-C4' energy: -93.392
flat angles C4'-P-C4' energy: -97.962
flat angles P-C4'-P energy: -66.354
tors. eta vs tors. theta energy: -129.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1541.925999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.925999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.925999 (E_RNA)
where:
Base-Base interactions energy: -1075.369
where: short stacking energy: -465.505
Base-Backbone interact. energy: -1.877
local terms energy: -464.680704
where:
bonds (distance) C4'-P energy: -80.950
bonds (distance) P-C4' energy: -90.138
flat angles C4'-P-C4' energy: -103.416
flat angles P-C4'-P energy: -64.855
tors. eta vs tors. theta energy: -125.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1472.298162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.298162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.298162 (E_RNA)
where:
Base-Base interactions energy: -1023.448
where: short stacking energy: -430.608
Base-Backbone interact. energy: -1.512
local terms energy: -447.337586
where:
bonds (distance) C4'-P energy: -82.161
bonds (distance) P-C4' energy: -87.684
flat angles C4'-P-C4' energy: -103.561
flat angles P-C4'-P energy: -62.222
tors. eta vs tors. theta energy: -111.709
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: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1425.234699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.234699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.234699 (E_RNA)
where:
Base-Base interactions energy: -959.217
where: short stacking energy: -431.202
Base-Backbone interact. energy: -1.887
local terms energy: -464.130911
where:
bonds (distance) C4'-P energy: -81.827
bonds (distance) P-C4' energy: -97.332
flat angles C4'-P-C4' energy: -95.632
flat angles P-C4'-P energy: -61.485
tors. eta vs tors. theta energy: -127.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1292.744577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.744577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.744577 (E_RNA)
where:
Base-Base interactions energy: -892.087
where: short stacking energy: -389.574
Base-Backbone interact. energy: 4.702
local terms energy: -405.359534
where:
bonds (distance) C4'-P energy: -80.640
bonds (distance) P-C4' energy: -84.235
flat angles C4'-P-C4' energy: -97.022
flat angles P-C4'-P energy: -51.253
tors. eta vs tors. theta energy: -92.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1262.471464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.471464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.471464 (E_RNA)
where:
Base-Base interactions energy: -846.776
where: short stacking energy: -379.952
Base-Backbone interact. energy: 0.636
local terms energy: -416.331276
where:
bonds (distance) C4'-P energy: -71.878
bonds (distance) P-C4' energy: -87.778
flat angles C4'-P-C4' energy: -88.282
flat angles P-C4'-P energy: -63.936
tors. eta vs tors. theta energy: -104.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1143.509415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.509415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.509415 (E_RNA)
where:
Base-Base interactions energy: -767.743
where: short stacking energy: -363.792
Base-Backbone interact. energy: -0.232
local terms energy: -375.534084
where:
bonds (distance) C4'-P energy: -55.919
bonds (distance) P-C4' energy: -84.229
flat angles C4'-P-C4' energy: -94.462
flat angles P-C4'-P energy: -54.600
tors. eta vs tors. theta energy: -86.324
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: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -978.732775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.732775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.732775 (E_RNA)
where:
Base-Base interactions energy: -637.946
where: short stacking energy: -290.135
Base-Backbone interact. energy: -1.969
local terms energy: -338.818292
where:
bonds (distance) C4'-P energy: -68.312
bonds (distance) P-C4' energy: -74.116
flat angles C4'-P-C4' energy: -84.516
flat angles P-C4'-P energy: -51.162
tors. eta vs tors. theta energy: -60.712
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: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -835.971733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.971733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.971733 (E_RNA)
where:
Base-Base interactions energy: -537.170
where: short stacking energy: -251.092
Base-Backbone interact. energy: -0.306
local terms energy: -298.496071
where:
bonds (distance) C4'-P energy: -67.379
bonds (distance) P-C4' energy: -62.554
flat angles C4'-P-C4' energy: -75.308
flat angles P-C4'-P energy: -53.787
tors. eta vs tors. theta energy: -39.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -704.030389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.030389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.030389 (E_RNA)
where:
Base-Base interactions energy: -425.209
where: short stacking energy: -206.491
Base-Backbone interact. energy: -0.075
local terms energy: -278.746042
where:
bonds (distance) C4'-P energy: -70.263
bonds (distance) P-C4' energy: -67.947
flat angles C4'-P-C4' energy: -71.339
flat angles P-C4'-P energy: -43.555
tors. eta vs tors. theta energy: -25.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1582.509742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.509742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.509742 (E_RNA)
where:
Base-Base interactions energy: -1087.648
where: short stacking energy: -481.258
Base-Backbone interact. energy: -3.157
local terms energy: -491.705189
where:
bonds (distance) C4'-P energy: -94.976
bonds (distance) P-C4' energy: -92.757
flat angles C4'-P-C4' energy: -105.171
flat angles P-C4'-P energy: -70.996
tors. eta vs tors. theta energy: -127.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1556.790797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.790797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.790797 (E_RNA)
where:
Base-Base interactions energy: -1085.411
where: short stacking energy: -472.071
Base-Backbone interact. energy: 1.179
local terms energy: -472.558981
where:
bonds (distance) C4'-P energy: -91.909
bonds (distance) P-C4' energy: -88.921
flat angles C4'-P-C4' energy: -95.429
flat angles P-C4'-P energy: -67.784
tors. eta vs tors. theta energy: -128.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1444.691251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.691251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.691251 (E_RNA)
where:
Base-Base interactions energy: -960.038
where: short stacking energy: -425.349
Base-Backbone interact. energy: -1.015
local terms energy: -483.637384
where:
bonds (distance) C4'-P energy: -86.836
bonds (distance) P-C4' energy: -93.279
flat angles C4'-P-C4' energy: -110.812
flat angles P-C4'-P energy: -65.957
tors. eta vs tors. theta energy: -126.752
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: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1456.445490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.445490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.445490 (E_RNA)
where:
Base-Base interactions energy: -985.689
where: short stacking energy: -444.895
Base-Backbone interact. energy: 3.978
local terms energy: -474.734290
where:
bonds (distance) C4'-P energy: -89.824
bonds (distance) P-C4' energy: -94.594
flat angles C4'-P-C4' energy: -99.566
flat angles P-C4'-P energy: -63.986
tors. eta vs tors. theta energy: -126.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1303.208317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.208317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.208317 (E_RNA)
where:
Base-Base interactions energy: -873.566
where: short stacking energy: -369.521
Base-Backbone interact. energy: -1.913
local terms energy: -427.729657
where:
bonds (distance) C4'-P energy: -80.374
bonds (distance) P-C4' energy: -97.235
flat angles C4'-P-C4' energy: -99.339
flat angles P-C4'-P energy: -50.077
tors. eta vs tors. theta energy: -100.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1225.605850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.605850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.605850 (E_RNA)
where:
Base-Base interactions energy: -843.451
where: short stacking energy: -342.974
Base-Backbone interact. energy: 3.024
local terms energy: -385.178144
where:
bonds (distance) C4'-P energy: -85.212
bonds (distance) P-C4' energy: -79.363
flat angles C4'-P-C4' energy: -83.125
flat angles P-C4'-P energy: -51.892
tors. eta vs tors. theta energy: -85.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1102.387581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.387581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.387581 (E_RNA)
where:
Base-Base interactions energy: -721.060
where: short stacking energy: -322.690
Base-Backbone interact. energy: -2.214
local terms energy: -379.114158
where:
bonds (distance) C4'-P energy: -74.605
bonds (distance) P-C4' energy: -86.182
flat angles C4'-P-C4' energy: -84.296
flat angles P-C4'-P energy: -55.590
tors. eta vs tors. theta energy: -78.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -929.695396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.695396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.695396 (E_RNA)
where:
Base-Base interactions energy: -623.302
where: short stacking energy: -270.305
Base-Backbone interact. energy: 1.003
local terms energy: -307.396770
where:
bonds (distance) C4'-P energy: -63.852
bonds (distance) P-C4' energy: -64.574
flat angles C4'-P-C4' energy: -78.594
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -58.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -829.332293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.332293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.332293 (E_RNA)
where:
Base-Base interactions energy: -547.328
where: short stacking energy: -243.017
Base-Backbone interact. energy: -1.184
local terms energy: -280.820739
where:
bonds (distance) C4'-P energy: -70.164
bonds (distance) P-C4' energy: -75.790
flat angles C4'-P-C4' energy: -63.478
flat angles P-C4'-P energy: -41.926
tors. eta vs tors. theta energy: -29.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -694.575912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.575912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.575912 (E_RNA)
where:
Base-Base interactions energy: -399.617
where: short stacking energy: -191.036
Base-Backbone interact. energy: -1.510
local terms energy: -293.448180
where:
bonds (distance) C4'-P energy: -68.128
bonds (distance) P-C4' energy: -84.620
flat angles C4'-P-C4' energy: -75.746
flat angles P-C4'-P energy: -45.101
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: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1577.301855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.301855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.301855 (E_RNA)
where:
Base-Base interactions energy: -1095.907
where: short stacking energy: -441.212
Base-Backbone interact. energy: -2.156
local terms energy: -479.238984
where:
bonds (distance) C4'-P energy: -97.827
bonds (distance) P-C4' energy: -96.709
flat angles C4'-P-C4' energy: -98.774
flat angles P-C4'-P energy: -58.877
tors. eta vs tors. theta energy: -127.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1538.556810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.556810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.556810 (E_RNA)
where:
Base-Base interactions energy: -1062.547
where: short stacking energy: -456.114
Base-Backbone interact. energy: -1.820
local terms energy: -474.189496
where:
bonds (distance) C4'-P energy: -95.235
bonds (distance) P-C4' energy: -91.022
flat angles C4'-P-C4' energy: -99.713
flat angles P-C4'-P energy: -67.389
tors. eta vs tors. theta energy: -120.831
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: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1448.026822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.026822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.026822 (E_RNA)
where:
Base-Base interactions energy: -987.055
where: short stacking energy: -425.464
Base-Backbone interact. energy: -1.062
local terms energy: -459.908909
where:
bonds (distance) C4'-P energy: -84.116
bonds (distance) P-C4' energy: -83.269
flat angles C4'-P-C4' energy: -97.000
flat angles P-C4'-P energy: -67.234
tors. eta vs tors. theta energy: -128.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1409.106441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.106441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.106441 (E_RNA)
where:
Base-Base interactions energy: -955.985
where: short stacking energy: -400.728
Base-Backbone interact. energy: -3.626
local terms energy: -449.496334
where:
bonds (distance) C4'-P energy: -89.132
bonds (distance) P-C4' energy: -97.561
flat angles C4'-P-C4' energy: -101.649
flat angles P-C4'-P energy: -60.185
tors. eta vs tors. theta energy: -100.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1273.071042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.071042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.071042 (E_RNA)
where:
Base-Base interactions energy: -854.780
where: short stacking energy: -346.332
Base-Backbone interact. energy: 2.866
local terms energy: -421.156934
where:
bonds (distance) C4'-P energy: -94.720
bonds (distance) P-C4' energy: -76.320
flat angles C4'-P-C4' energy: -98.042
flat angles P-C4'-P energy: -61.161
tors. eta vs tors. theta energy: -90.914
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: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1197.099247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.099247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.099247 (E_RNA)
where:
Base-Base interactions energy: -824.406
where: short stacking energy: -341.579
Base-Backbone interact. energy: 2.052
local terms energy: -374.745480
where:
bonds (distance) C4'-P energy: -73.090
bonds (distance) P-C4' energy: -85.092
flat angles C4'-P-C4' energy: -80.944
flat angles P-C4'-P energy: -51.020
tors. eta vs tors. theta energy: -84.601
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: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1141.702923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.702923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.702923 (E_RNA)
where:
Base-Base interactions energy: -767.496
where: short stacking energy: -350.511
Base-Backbone interact. energy: -2.951
local terms energy: -371.255682
where:
bonds (distance) C4'-P energy: -78.061
bonds (distance) P-C4' energy: -76.355
flat angles C4'-P-C4' energy: -79.911
flat angles P-C4'-P energy: -54.833
tors. eta vs tors. theta energy: -82.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -919.741124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.741124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.741124 (E_RNA)
where:
Base-Base interactions energy: -595.815
where: short stacking energy: -280.652
Base-Backbone interact. energy: -0.392
local terms energy: -323.533489
where:
bonds (distance) C4'-P energy: -82.757
bonds (distance) P-C4' energy: -74.260
flat angles C4'-P-C4' energy: -68.656
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -55.052
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: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -842.609562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.609562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.609562 (E_RNA)
where:
Base-Base interactions energy: -544.738
where: short stacking energy: -228.141
Base-Backbone interact. energy: -1.418
local terms energy: -296.452955
where:
bonds (distance) C4'-P energy: -78.547
bonds (distance) P-C4' energy: -82.526
flat angles C4'-P-C4' energy: -63.546
flat angles P-C4'-P energy: -33.710
tors. eta vs tors. theta energy: -38.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -692.087383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.087383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.087383 (E_RNA)
where:
Base-Base interactions energy: -396.507
where: short stacking energy: -196.109
Base-Backbone interact. energy: -1.511
local terms energy: -294.069142
where:
bonds (distance) C4'-P energy: -76.362
bonds (distance) P-C4' energy: -83.192
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -40.336
tors. eta vs tors. theta energy: -29.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1605.863150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.863150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.863150 (E_RNA)
where:
Base-Base interactions energy: -1132.199
where: short stacking energy: -485.844
Base-Backbone interact. energy: -5.458
local terms energy: -468.206086
where:
bonds (distance) C4'-P energy: -91.956
bonds (distance) P-C4' energy: -86.584
flat angles C4'-P-C4' energy: -97.739
flat angles P-C4'-P energy: -55.400
tors. eta vs tors. theta energy: -136.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1540.172021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.172021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.172021 (E_RNA)
where:
Base-Base interactions energy: -1066.640
where: short stacking energy: -446.225
Base-Backbone interact. energy: -1.502
local terms energy: -472.030196
where:
bonds (distance) C4'-P energy: -89.958
bonds (distance) P-C4' energy: -87.680
flat angles C4'-P-C4' energy: -93.284
flat angles P-C4'-P energy: -83.805
tors. eta vs tors. theta energy: -117.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1445.847656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.847656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.847656 (E_RNA)
where:
Base-Base interactions energy: -1015.725
where: short stacking energy: -415.033
Base-Backbone interact. energy: -0.130
local terms energy: -429.993191
where:
bonds (distance) C4'-P energy: -80.999
bonds (distance) P-C4' energy: -81.847
flat angles C4'-P-C4' energy: -102.513
flat angles P-C4'-P energy: -55.644
tors. eta vs tors. theta energy: -108.991
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: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1429.984673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.984673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.984673 (E_RNA)
where:
Base-Base interactions energy: -950.151
where: short stacking energy: -430.285
Base-Backbone interact. energy: -1.142
local terms energy: -478.691858
where:
bonds (distance) C4'-P energy: -90.164
bonds (distance) P-C4' energy: -98.552
flat angles C4'-P-C4' energy: -102.067
flat angles P-C4'-P energy: -68.388
tors. eta vs tors. theta energy: -119.520
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: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1286.804112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.804112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.804112 (E_RNA)
where:
Base-Base interactions energy: -865.050
where: short stacking energy: -378.180
Base-Backbone interact. energy: 0.144
local terms energy: -421.897620
where:
bonds (distance) C4'-P energy: -85.034
bonds (distance) P-C4' energy: -73.430
flat angles C4'-P-C4' energy: -95.852
flat angles P-C4'-P energy: -59.385
tors. eta vs tors. theta energy: -108.196
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: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1261.054001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.054001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.054001 (E_RNA)
where:
Base-Base interactions energy: -829.697
where: short stacking energy: -376.823
Base-Backbone interact. energy: 0.351
local terms energy: -431.707971
where:
bonds (distance) C4'-P energy: -80.011
bonds (distance) P-C4' energy: -95.939
flat angles C4'-P-C4' energy: -98.408
flat angles P-C4'-P energy: -56.139
tors. eta vs tors. theta energy: -101.211
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: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1085.351848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.351848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.351848 (E_RNA)
where:
Base-Base interactions energy: -715.279
where: short stacking energy: -321.534
Base-Backbone interact. energy: -2.561
local terms energy: -367.511740
where:
bonds (distance) C4'-P energy: -80.675
bonds (distance) P-C4' energy: -75.632
flat angles C4'-P-C4' energy: -84.743
flat angles P-C4'-P energy: -54.058
tors. eta vs tors. theta energy: -72.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -955.641673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.641673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.641673 (E_RNA)
where:
Base-Base interactions energy: -595.733
where: short stacking energy: -256.192
Base-Backbone interact. energy: -0.080
local terms energy: -359.828071
where:
bonds (distance) C4'-P energy: -89.179
bonds (distance) P-C4' energy: -88.089
flat angles C4'-P-C4' energy: -89.507
flat angles P-C4'-P energy: -40.035
tors. eta vs tors. theta energy: -53.019
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: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -826.387132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.387132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.387132 (E_RNA)
where:
Base-Base interactions energy: -527.372
where: short stacking energy: -248.392
Base-Backbone interact. energy: -0.423
local terms energy: -298.591863
where:
bonds (distance) C4'-P energy: -68.610
bonds (distance) P-C4' energy: -83.884
flat angles C4'-P-C4' energy: -69.343
flat angles P-C4'-P energy: -51.060
tors. eta vs tors. theta energy: -25.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -690.206302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.206302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.206302 (E_RNA)
where:
Base-Base interactions energy: -417.804
where: short stacking energy: -207.302
Base-Backbone interact. energy: 6.652
local terms energy: -279.054695
where:
bonds (distance) C4'-P energy: -74.852
bonds (distance) P-C4' energy: -69.704
flat angles C4'-P-C4' energy: -56.446
flat angles P-C4'-P energy: -51.951
tors. eta vs tors. theta energy: -26.102
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: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1580.950669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.950669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.950669 (E_RNA)
where:
Base-Base interactions energy: -1106.918
where: short stacking energy: -476.771
Base-Backbone interact. energy: -2.036
local terms energy: -471.996766
where:
bonds (distance) C4'-P energy: -84.418
bonds (distance) P-C4' energy: -92.520
flat angles C4'-P-C4' energy: -98.013
flat angles P-C4'-P energy: -66.046
tors. eta vs tors. theta energy: -131.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1541.626174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.626174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.626174 (E_RNA)
where:
Base-Base interactions energy: -1069.768
where: short stacking energy: -475.824
Base-Backbone interact. energy: -0.890
local terms energy: -470.968121
where:
bonds (distance) C4'-P energy: -87.676
bonds (distance) P-C4' energy: -90.832
flat angles C4'-P-C4' energy: -91.808
flat angles P-C4'-P energy: -74.075
tors. eta vs tors. theta energy: -126.577
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: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1452.101860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.101860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.101860 (E_RNA)
where:
Base-Base interactions energy: -1024.469
where: short stacking energy: -406.204
Base-Backbone interact. energy: -3.306
local terms energy: -424.327005
where:
bonds (distance) C4'-P energy: -90.597
bonds (distance) P-C4' energy: -85.944
flat angles C4'-P-C4' energy: -90.459
flat angles P-C4'-P energy: -51.748
tors. eta vs tors. theta energy: -105.580
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: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1405.975208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.975208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.975208 (E_RNA)
where:
Base-Base interactions energy: -956.132
where: short stacking energy: -430.499
Base-Backbone interact. energy: -1.677
local terms energy: -448.166502
where:
bonds (distance) C4'-P energy: -90.799
bonds (distance) P-C4' energy: -80.951
flat angles C4'-P-C4' energy: -86.679
flat angles P-C4'-P energy: -64.506
tors. eta vs tors. theta energy: -125.231
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: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1273.511415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.511415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.511415 (E_RNA)
where:
Base-Base interactions energy: -859.023
where: short stacking energy: -350.168
Base-Backbone interact. energy: -0.287
local terms energy: -414.201526
where:
bonds (distance) C4'-P energy: -76.203
bonds (distance) P-C4' energy: -90.121
flat angles C4'-P-C4' energy: -96.124
flat angles P-C4'-P energy: -61.538
tors. eta vs tors. theta energy: -90.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1193.372311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.372311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.372311 (E_RNA)
where:
Base-Base interactions energy: -795.128
where: short stacking energy: -364.823
Base-Backbone interact. energy: 0.473
local terms energy: -398.717330
where:
bonds (distance) C4'-P energy: -83.572
bonds (distance) P-C4' energy: -76.886
flat angles C4'-P-C4' energy: -91.450
flat angles P-C4'-P energy: -51.450
tors. eta vs tors. theta energy: -95.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1106.106334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.106334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.106334 (E_RNA)
where:
Base-Base interactions energy: -727.045
where: short stacking energy: -313.235
Base-Backbone interact. energy: 0.531
local terms energy: -379.592555
where:
bonds (distance) C4'-P energy: -83.583
bonds (distance) P-C4' energy: -87.049
flat angles C4'-P-C4' energy: -86.304
flat angles P-C4'-P energy: -54.480
tors. eta vs tors. theta energy: -68.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -953.443360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.443360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.443360 (E_RNA)
where:
Base-Base interactions energy: -620.306
where: short stacking energy: -273.483
Base-Backbone interact. energy: 0.887
local terms energy: -334.024836
where:
bonds (distance) C4'-P energy: -68.493
bonds (distance) P-C4' energy: -70.249
flat angles C4'-P-C4' energy: -88.956
flat angles P-C4'-P energy: -54.606
tors. eta vs tors. theta energy: -51.722
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: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -843.817407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.817407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.817407 (E_RNA)
where:
Base-Base interactions energy: -536.643
where: short stacking energy: -235.536
Base-Backbone interact. energy: -2.001
local terms energy: -305.173958
where:
bonds (distance) C4'-P energy: -64.674
bonds (distance) P-C4' energy: -79.846
flat angles C4'-P-C4' energy: -65.836
flat angles P-C4'-P energy: -55.312
tors. eta vs tors. theta energy: -39.507
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: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -708.129887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.129887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.129887 (E_RNA)
where:
Base-Base interactions energy: -459.281
where: short stacking energy: -204.877
Base-Backbone interact. energy: 1.740
local terms energy: -250.588080
where:
bonds (distance) C4'-P energy: -74.887
bonds (distance) P-C4' energy: -67.712
flat angles C4'-P-C4' energy: -56.362
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -28.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1589.232785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.232785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.232785 (E_RNA)
where:
Base-Base interactions energy: -1104.280
where: short stacking energy: -461.148
Base-Backbone interact. energy: -0.797
local terms energy: -484.155314
where:
bonds (distance) C4'-P energy: -92.485
bonds (distance) P-C4' energy: -89.217
flat angles C4'-P-C4' energy: -99.041
flat angles P-C4'-P energy: -70.769
tors. eta vs tors. theta energy: -132.643
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: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1542.863267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.863267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.863267 (E_RNA)
where:
Base-Base interactions energy: -1061.254
where: short stacking energy: -465.457
Base-Backbone interact. energy: -3.207
local terms energy: -478.402471
where:
bonds (distance) C4'-P energy: -97.371
bonds (distance) P-C4' energy: -97.711
flat angles C4'-P-C4' energy: -98.790
flat angles P-C4'-P energy: -61.379
tors. eta vs tors. theta energy: -123.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1460.711659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.711659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.711659 (E_RNA)
where:
Base-Base interactions energy: -1004.554
where: short stacking energy: -429.020
Base-Backbone interact. energy: -3.093
local terms energy: -453.064966
where:
bonds (distance) C4'-P energy: -75.497
bonds (distance) P-C4' energy: -95.800
flat angles C4'-P-C4' energy: -98.259
flat angles P-C4'-P energy: -64.802
tors. eta vs tors. theta energy: -118.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1408.454554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.454554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.454554 (E_RNA)
where:
Base-Base interactions energy: -951.757
where: short stacking energy: -422.163
Base-Backbone interact. energy: 0.585
local terms energy: -457.282044
where:
bonds (distance) C4'-P energy: -82.713
bonds (distance) P-C4' energy: -87.842
flat angles C4'-P-C4' energy: -103.387
flat angles P-C4'-P energy: -57.385
tors. eta vs tors. theta energy: -125.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1298.275402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.275402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.275402 (E_RNA)
where:
Base-Base interactions energy: -863.505
where: short stacking energy: -381.335
Base-Backbone interact. energy: -1.462
local terms energy: -433.308621
where:
bonds (distance) C4'-P energy: -81.734
bonds (distance) P-C4' energy: -93.922
flat angles C4'-P-C4' energy: -96.196
flat angles P-C4'-P energy: -60.126
tors. eta vs tors. theta energy: -101.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1151.295535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.295535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.295535 (E_RNA)
where:
Base-Base interactions energy: -778.213
where: short stacking energy: -358.183
Base-Backbone interact. energy: 1.839
local terms energy: -374.921384
where:
bonds (distance) C4'-P energy: -66.927
bonds (distance) P-C4' energy: -83.058
flat angles C4'-P-C4' energy: -90.803
flat angles P-C4'-P energy: -60.442
tors. eta vs tors. theta energy: -73.692
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: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1066.529531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.529531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.529531 (E_RNA)
where:
Base-Base interactions energy: -688.013
where: short stacking energy: -319.113
Base-Backbone interact. energy: -1.036
local terms energy: -377.480754
where:
bonds (distance) C4'-P energy: -77.543
bonds (distance) P-C4' energy: -95.784
flat angles C4'-P-C4' energy: -88.674
flat angles P-C4'-P energy: -46.089
tors. eta vs tors. theta energy: -69.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1022.459671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.459671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.459671 (E_RNA)
where:
Base-Base interactions energy: -666.767
where: short stacking energy: -309.270
Base-Backbone interact. energy: -3.446
local terms energy: -352.246477
where:
bonds (distance) C4'-P energy: -83.189
bonds (distance) P-C4' energy: -72.648
flat angles C4'-P-C4' energy: -80.535
flat angles P-C4'-P energy: -50.588
tors. eta vs tors. theta energy: -65.286
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: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -737.960938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.960938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.960938 (E_RNA)
where:
Base-Base interactions energy: -436.206
where: short stacking energy: -232.921
Base-Backbone interact. energy: -0.894
local terms energy: -300.861329
where:
bonds (distance) C4'-P energy: -73.081
bonds (distance) P-C4' energy: -84.366
flat angles C4'-P-C4' energy: -66.338
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -34.335
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: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -785.436807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.436807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.436807 (E_RNA)
where:
Base-Base interactions energy: -511.988
where: short stacking energy: -220.412
Base-Backbone interact. energy: -0.043
local terms energy: -273.405803
where:
bonds (distance) C4'-P energy: -64.697
bonds (distance) P-C4' energy: -62.581
flat angles C4'-P-C4' energy: -73.904
flat angles P-C4'-P energy: -48.444
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1590.747619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.747619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.747619 (E_RNA)
where:
Base-Base interactions energy: -1086.045
where: short stacking energy: -436.771
Base-Backbone interact. energy: -2.493
local terms energy: -502.209922
where:
bonds (distance) C4'-P energy: -105.636
bonds (distance) P-C4' energy: -98.683
flat angles C4'-P-C4' energy: -107.368
flat angles P-C4'-P energy: -63.107
tors. eta vs tors. theta energy: -127.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1528.451820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.451820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.451820 (E_RNA)
where:
Base-Base interactions energy: -1069.513
where: short stacking energy: -460.859
Base-Backbone interact. energy: -0.823
local terms energy: -458.115696
where:
bonds (distance) C4'-P energy: -83.801
bonds (distance) P-C4' energy: -98.731
flat angles C4'-P-C4' energy: -93.628
flat angles P-C4'-P energy: -61.244
tors. eta vs tors. theta energy: -120.711
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: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1487.061071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.061071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.061071 (E_RNA)
where:
Base-Base interactions energy: -1020.097
where: short stacking energy: -438.420
Base-Backbone interact. energy: 0.517
local terms energy: -467.481448
where:
bonds (distance) C4'-P energy: -88.625
bonds (distance) P-C4' energy: -91.653
flat angles C4'-P-C4' energy: -101.290
flat angles P-C4'-P energy: -64.288
tors. eta vs tors. theta energy: -121.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1400.895962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.895962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.895962 (E_RNA)
where:
Base-Base interactions energy: -950.456
where: short stacking energy: -406.384
Base-Backbone interact. energy: -0.373
local terms energy: -450.067781
where:
bonds (distance) C4'-P energy: -73.253
bonds (distance) P-C4' energy: -96.635
flat angles C4'-P-C4' energy: -91.271
flat angles P-C4'-P energy: -66.986
tors. eta vs tors. theta energy: -121.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1327.578991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.578991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.578991 (E_RNA)
where:
Base-Base interactions energy: -923.864
where: short stacking energy: -389.630
Base-Backbone interact. energy: -1.303
local terms energy: -402.412315
where:
bonds (distance) C4'-P energy: -80.552
bonds (distance) P-C4' energy: -77.459
flat angles C4'-P-C4' energy: -86.007
flat angles P-C4'-P energy: -59.249
tors. eta vs tors. theta energy: -99.145
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: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1126.173175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.173175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.173175 (E_RNA)
where:
Base-Base interactions energy: -720.728
where: short stacking energy: -305.303
Base-Backbone interact. energy: -2.289
local terms energy: -403.155886
where:
bonds (distance) C4'-P energy: -83.803
bonds (distance) P-C4' energy: -90.648
flat angles C4'-P-C4' energy: -91.925
flat angles P-C4'-P energy: -65.555
tors. eta vs tors. theta energy: -71.225
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: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1087.068008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.068008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.068008 (E_RNA)
where:
Base-Base interactions energy: -707.596
where: short stacking energy: -325.986
Base-Backbone interact. energy: -0.357
local terms energy: -379.115086
where:
bonds (distance) C4'-P energy: -87.846
bonds (distance) P-C4' energy: -75.157
flat angles C4'-P-C4' energy: -88.990
flat angles P-C4'-P energy: -53.177
tors. eta vs tors. theta energy: -73.946
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: 8, replica: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -960.420295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.420295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.420295 (E_RNA)
where:
Base-Base interactions energy: -641.722
where: short stacking energy: -267.373
Base-Backbone interact. energy: 0.852
local terms energy: -319.550912
where:
bonds (distance) C4'-P energy: -77.055
bonds (distance) P-C4' energy: -76.860
flat angles C4'-P-C4' energy: -67.814
flat angles P-C4'-P energy: -48.389
tors. eta vs tors. theta energy: -49.432
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: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -795.439191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.439191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.439191 (E_RNA)
where:
Base-Base interactions energy: -495.161
where: short stacking energy: -227.676
Base-Backbone interact. energy: -1.897
local terms energy: -298.381938
where:
bonds (distance) C4'-P energy: -75.387
bonds (distance) P-C4' energy: -69.944
flat angles C4'-P-C4' energy: -82.091
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -28.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -768.149598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.149598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.149598 (E_RNA)
where:
Base-Base interactions energy: -498.250
where: short stacking energy: -210.302
Base-Backbone interact. energy: 1.467
local terms energy: -271.366846
where:
bonds (distance) C4'-P energy: -78.474
bonds (distance) P-C4' energy: -68.706
flat angles C4'-P-C4' energy: -60.903
flat angles P-C4'-P energy: -41.942
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1614.894119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.894119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.894119 (E_RNA)
where:
Base-Base interactions energy: -1130.341
where: short stacking energy: -469.217
Base-Backbone interact. energy: -1.277
local terms energy: -483.275956
where:
bonds (distance) C4'-P energy: -89.646
bonds (distance) P-C4' energy: -89.856
flat angles C4'-P-C4' energy: -98.979
flat angles P-C4'-P energy: -78.629
tors. eta vs tors. theta energy: -126.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1522.024821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.024821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.024821 (E_RNA)
where:
Base-Base interactions energy: -1046.415
where: short stacking energy: -445.209
Base-Backbone interact. energy: 0.475
local terms energy: -476.084141
where:
bonds (distance) C4'-P energy: -82.469
bonds (distance) P-C4' energy: -92.129
flat angles C4'-P-C4' energy: -101.422
flat angles P-C4'-P energy: -74.779
tors. eta vs tors. theta energy: -125.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1439.909509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.909509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.909509 (E_RNA)
where:
Base-Base interactions energy: -1006.565
where: short stacking energy: -429.487
Base-Backbone interact. energy: 0.989
local terms energy: -434.332912
where:
bonds (distance) C4'-P energy: -80.311
bonds (distance) P-C4' energy: -90.516
flat angles C4'-P-C4' energy: -98.234
flat angles P-C4'-P energy: -46.676
tors. eta vs tors. theta energy: -118.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1407.565469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.565469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.565469 (E_RNA)
where:
Base-Base interactions energy: -934.127
where: short stacking energy: -410.149
Base-Backbone interact. energy: -0.652
local terms energy: -472.787090
where:
bonds (distance) C4'-P energy: -83.532
bonds (distance) P-C4' energy: -97.881
flat angles C4'-P-C4' energy: -98.482
flat angles P-C4'-P energy: -67.141
tors. eta vs tors. theta energy: -125.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1311.698297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.698297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.698297 (E_RNA)
where:
Base-Base interactions energy: -896.673
where: short stacking energy: -395.877
Base-Backbone interact. energy: -0.911
local terms energy: -414.113989
where:
bonds (distance) C4'-P energy: -69.607
bonds (distance) P-C4' energy: -82.236
flat angles C4'-P-C4' energy: -85.319
flat angles P-C4'-P energy: -71.836
tors. eta vs tors. theta energy: -105.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1113.929500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.929500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.929500 (E_RNA)
where:
Base-Base interactions energy: -756.607
where: short stacking energy: -343.293
Base-Backbone interact. energy: 0.138
local terms energy: -357.461194
where:
bonds (distance) C4'-P energy: -69.416
bonds (distance) P-C4' energy: -81.125
flat angles C4'-P-C4' energy: -88.551
flat angles P-C4'-P energy: -46.874
tors. eta vs tors. theta energy: -71.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1090.997688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.997688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.997688 (E_RNA)
where:
Base-Base interactions energy: -744.492
where: short stacking energy: -321.815
Base-Backbone interact. energy: -0.266
local terms energy: -346.239804
where:
bonds (distance) C4'-P energy: -75.729
bonds (distance) P-C4' energy: -72.512
flat angles C4'-P-C4' energy: -75.225
flat angles P-C4'-P energy: -48.491
tors. eta vs tors. theta energy: -74.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1018.117227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.117227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.117227 (E_RNA)
where:
Base-Base interactions energy: -679.379
where: short stacking energy: -295.576
Base-Backbone interact. energy: 1.044
local terms energy: -339.782500
where:
bonds (distance) C4'-P energy: -63.564
bonds (distance) P-C4' energy: -91.673
flat angles C4'-P-C4' energy: -69.706
flat angles P-C4'-P energy: -50.042
tors. eta vs tors. theta energy: -64.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -817.492132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.492132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.492132 (E_RNA)
where:
Base-Base interactions energy: -493.980
where: short stacking energy: -231.662
Base-Backbone interact. energy: -0.508
local terms energy: -323.004399
where:
bonds (distance) C4'-P energy: -71.381
bonds (distance) P-C4' energy: -74.276
flat angles C4'-P-C4' energy: -81.077
flat angles P-C4'-P energy: -49.612
tors. eta vs tors. theta energy: -46.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -780.028288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.028288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.028288 (E_RNA)
where:
Base-Base interactions energy: -503.969
where: short stacking energy: -221.216
Base-Backbone interact. energy: -0.434
local terms energy: -275.625231
where:
bonds (distance) C4'-P energy: -69.427
bonds (distance) P-C4' energy: -74.066
flat angles C4'-P-C4' energy: -70.050
flat angles P-C4'-P energy: -33.926
tors. eta vs tors. theta energy: -28.156
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: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1602.719420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.719420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.719420 (E_RNA)
where:
Base-Base interactions energy: -1136.119
where: short stacking energy: -473.776
Base-Backbone interact. energy: -2.625
local terms energy: -463.974896
where:
bonds (distance) C4'-P energy: -79.816
bonds (distance) P-C4' energy: -83.848
flat angles C4'-P-C4' energy: -109.588
flat angles P-C4'-P energy: -62.580
tors. eta vs tors. theta energy: -128.142
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: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1541.898089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.898089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.898089 (E_RNA)
where:
Base-Base interactions energy: -1059.102
where: short stacking energy: -444.618
Base-Backbone interact. energy: -0.106
local terms energy: -482.690266
where:
bonds (distance) C4'-P energy: -91.400
bonds (distance) P-C4' energy: -91.522
flat angles C4'-P-C4' energy: -94.685
flat angles P-C4'-P energy: -71.047
tors. eta vs tors. theta energy: -134.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1487.624280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.624280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.624280 (E_RNA)
where:
Base-Base interactions energy: -1027.798
where: short stacking energy: -439.606
Base-Backbone interact. energy: -4.457
local terms energy: -455.368973
where:
bonds (distance) C4'-P energy: -82.219
bonds (distance) P-C4' energy: -91.283
flat angles C4'-P-C4' energy: -101.496
flat angles P-C4'-P energy: -58.049
tors. eta vs tors. theta energy: -122.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1397.933282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.933282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.933282 (E_RNA)
where:
Base-Base interactions energy: -944.152
where: short stacking energy: -408.140
Base-Backbone interact. energy: -2.772
local terms energy: -451.009011
where:
bonds (distance) C4'-P energy: -80.423
bonds (distance) P-C4' energy: -89.001
flat angles C4'-P-C4' energy: -92.563
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: -125.751
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: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1289.543287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.543287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.543287 (E_RNA)
where:
Base-Base interactions energy: -876.897
where: short stacking energy: -378.624
Base-Backbone interact. energy: -0.787
local terms energy: -411.859912
where:
bonds (distance) C4'-P energy: -75.000
bonds (distance) P-C4' energy: -81.035
flat angles C4'-P-C4' energy: -84.492
flat angles P-C4'-P energy: -73.898
tors. eta vs tors. theta energy: -97.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1164.766969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.766969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.766969 (E_RNA)
where:
Base-Base interactions energy: -769.548
where: short stacking energy: -347.550
Base-Backbone interact. energy: -0.186
local terms energy: -395.032338
where:
bonds (distance) C4'-P energy: -84.755
bonds (distance) P-C4' energy: -79.117
flat angles C4'-P-C4' energy: -96.991
flat angles P-C4'-P energy: -54.765
tors. eta vs tors. theta energy: -79.404
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: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1076.706332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.706332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.706332 (E_RNA)
where:
Base-Base interactions energy: -723.986
where: short stacking energy: -320.895
Base-Backbone interact. energy: 0.850
local terms energy: -353.569664
where:
bonds (distance) C4'-P energy: -75.912
bonds (distance) P-C4' energy: -84.889
flat angles C4'-P-C4' energy: -64.026
flat angles P-C4'-P energy: -48.057
tors. eta vs tors. theta energy: -80.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1008.019747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.019747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.019747 (E_RNA)
where:
Base-Base interactions energy: -668.069
where: short stacking energy: -303.261
Base-Backbone interact. energy: 3.270
local terms energy: -343.220591
where:
bonds (distance) C4'-P energy: -74.020
bonds (distance) P-C4' energy: -84.905
flat angles C4'-P-C4' energy: -70.688
flat angles P-C4'-P energy: -47.036
tors. eta vs tors. theta energy: -66.571
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: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -835.447853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.447853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.447853 (E_RNA)
where:
Base-Base interactions energy: -503.776
where: short stacking energy: -255.312
Base-Backbone interact. energy: 0.002
local terms energy: -331.674372
where:
bonds (distance) C4'-P energy: -83.288
bonds (distance) P-C4' energy: -75.999
flat angles C4'-P-C4' energy: -80.018
flat angles P-C4'-P energy: -46.380
tors. eta vs tors. theta energy: -45.990
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: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -786.118000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.118000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.118000 (E_RNA)
where:
Base-Base interactions energy: -494.063
where: short stacking energy: -230.179
Base-Backbone interact. energy: 2.421
local terms energy: -294.475260
where:
bonds (distance) C4'-P energy: -70.724
bonds (distance) P-C4' energy: -75.837
flat angles C4'-P-C4' energy: -78.223
flat angles P-C4'-P energy: -30.158
tors. eta vs tors. theta energy: -39.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1601.849462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.849462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.849462 (E_RNA)
where:
Base-Base interactions energy: -1110.624
where: short stacking energy: -471.272
Base-Backbone interact. energy: -3.814
local terms energy: -487.410660
where:
bonds (distance) C4'-P energy: -83.172
bonds (distance) P-C4' energy: -98.267
flat angles C4'-P-C4' energy: -99.508
flat angles P-C4'-P energy: -67.247
tors. eta vs tors. theta energy: -139.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1534.533830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.533830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.533830 (E_RNA)
where:
Base-Base interactions energy: -1058.369
where: short stacking energy: -456.120
Base-Backbone interact. energy: -2.930
local terms energy: -473.235140
where:
bonds (distance) C4'-P energy: -87.728
bonds (distance) P-C4' energy: -96.848
flat angles C4'-P-C4' energy: -100.814
flat angles P-C4'-P energy: -63.429
tors. eta vs tors. theta energy: -124.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1442.338255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.338255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.338255 (E_RNA)
where:
Base-Base interactions energy: -996.687
where: short stacking energy: -429.301
Base-Backbone interact. energy: 2.325
local terms energy: -447.975887
where:
bonds (distance) C4'-P energy: -92.217
bonds (distance) P-C4' energy: -88.614
flat angles C4'-P-C4' energy: -96.978
flat angles P-C4'-P energy: -53.954
tors. eta vs tors. theta energy: -116.213
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: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1391.292683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.292683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.292683 (E_RNA)
where:
Base-Base interactions energy: -947.071
where: short stacking energy: -426.174
Base-Backbone interact. energy: 0.312
local terms energy: -444.533751
where:
bonds (distance) C4'-P energy: -79.060
bonds (distance) P-C4' energy: -91.720
flat angles C4'-P-C4' energy: -90.042
flat angles P-C4'-P energy: -65.123
tors. eta vs tors. theta energy: -118.590
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: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1278.716874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.716874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.716874 (E_RNA)
where:
Base-Base interactions energy: -860.591
where: short stacking energy: -353.363
Base-Backbone interact. energy: 0.577
local terms energy: -418.703456
where:
bonds (distance) C4'-P energy: -86.215
bonds (distance) P-C4' energy: -101.704
flat angles C4'-P-C4' energy: -85.432
flat angles P-C4'-P energy: -58.322
tors. eta vs tors. theta energy: -87.031
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: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1171.457187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.457187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.457187 (E_RNA)
where:
Base-Base interactions energy: -784.470
where: short stacking energy: -317.284
Base-Backbone interact. energy: -2.823
local terms energy: -384.164089
where:
bonds (distance) C4'-P energy: -78.297
bonds (distance) P-C4' energy: -79.289
flat angles C4'-P-C4' energy: -94.617
flat angles P-C4'-P energy: -49.583
tors. eta vs tors. theta energy: -82.379
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: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1022.687119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.687119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.687119 (E_RNA)
where:
Base-Base interactions energy: -670.640
where: short stacking energy: -309.540
Base-Backbone interact. energy: -2.660
local terms energy: -349.387208
where:
bonds (distance) C4'-P energy: -74.688
bonds (distance) P-C4' energy: -89.473
flat angles C4'-P-C4' energy: -82.375
flat angles P-C4'-P energy: -54.676
tors. eta vs tors. theta energy: -48.175
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: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1083.696766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.696766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.696766 (E_RNA)
where:
Base-Base interactions energy: -700.245
where: short stacking energy: -303.406
Base-Backbone interact. energy: 0.642
local terms energy: -384.094059
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -83.801
flat angles C4'-P-C4' energy: -95.375
flat angles P-C4'-P energy: -51.892
tors. eta vs tors. theta energy: -66.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -827.248074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.248074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.248074 (E_RNA)
where:
Base-Base interactions energy: -522.881
where: short stacking energy: -237.251
Base-Backbone interact. energy: 2.223
local terms energy: -306.589925
where:
bonds (distance) C4'-P energy: -80.565
bonds (distance) P-C4' energy: -74.730
flat angles C4'-P-C4' energy: -82.233
flat angles P-C4'-P energy: -41.225
tors. eta vs tors. theta energy: -27.837
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: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -754.436119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.436119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.436119 (E_RNA)
where:
Base-Base interactions energy: -484.720
where: short stacking energy: -199.224
Base-Backbone interact. energy: -3.716
local terms energy: -265.999604
where:
bonds (distance) C4'-P energy: -67.988
bonds (distance) P-C4' energy: -67.118
flat angles C4'-P-C4' energy: -73.092
flat angles P-C4'-P energy: -39.063
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1576.879131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.879131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.879131 (E_RNA)
where:
Base-Base interactions energy: -1096.283
where: short stacking energy: -464.726
Base-Backbone interact. energy: -2.432
local terms energy: -478.164211
where:
bonds (distance) C4'-P energy: -91.257
bonds (distance) P-C4' energy: -86.312
flat angles C4'-P-C4' energy: -105.835
flat angles P-C4'-P energy: -67.470
tors. eta vs tors. theta energy: -127.290
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: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1500.941137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.941137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.941137 (E_RNA)
where:
Base-Base interactions energy: -1051.179
where: short stacking energy: -459.701
Base-Backbone interact. energy: -0.671
local terms energy: -449.091376
where:
bonds (distance) C4'-P energy: -85.581
bonds (distance) P-C4' energy: -86.391
flat angles C4'-P-C4' energy: -96.515
flat angles P-C4'-P energy: -63.651
tors. eta vs tors. theta energy: -116.953
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: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1481.823929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.823929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.823929 (E_RNA)
where:
Base-Base interactions energy: -1051.748
where: short stacking energy: -432.428
Base-Backbone interact. energy: 2.012
local terms energy: -432.087187
where:
bonds (distance) C4'-P energy: -77.541
bonds (distance) P-C4' energy: -93.071
flat angles C4'-P-C4' energy: -85.038
flat angles P-C4'-P energy: -62.339
tors. eta vs tors. theta energy: -114.098
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: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1377.476097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.476097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.476097 (E_RNA)
where:
Base-Base interactions energy: -944.436
where: short stacking energy: -427.474
Base-Backbone interact. energy: 0.093
local terms energy: -433.133161
where:
bonds (distance) C4'-P energy: -75.022
bonds (distance) P-C4' energy: -85.287
flat angles C4'-P-C4' energy: -94.196
flat angles P-C4'-P energy: -64.524
tors. eta vs tors. theta energy: -114.105
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: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1304.296734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.296734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.296734 (E_RNA)
where:
Base-Base interactions energy: -889.389
where: short stacking energy: -401.125
Base-Backbone interact. energy: -0.931
local terms energy: -413.976199
where:
bonds (distance) C4'-P energy: -73.297
bonds (distance) P-C4' energy: -91.068
flat angles C4'-P-C4' energy: -90.304
flat angles P-C4'-P energy: -52.242
tors. eta vs tors. theta energy: -107.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1143.982992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.982992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.982992 (E_RNA)
where:
Base-Base interactions energy: -749.694
where: short stacking energy: -344.616
Base-Backbone interact. energy: -1.726
local terms energy: -392.562710
where:
bonds (distance) C4'-P energy: -76.114
bonds (distance) P-C4' energy: -85.866
flat angles C4'-P-C4' energy: -85.874
flat angles P-C4'-P energy: -52.923
tors. eta vs tors. theta energy: -91.786
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: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -976.481689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.481689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.481689 (E_RNA)
where:
Base-Base interactions energy: -627.600
where: short stacking energy: -286.140
Base-Backbone interact. energy: 2.111
local terms energy: -350.992399
where:
bonds (distance) C4'-P energy: -70.529
bonds (distance) P-C4' energy: -83.970
flat angles C4'-P-C4' energy: -81.577
flat angles P-C4'-P energy: -52.838
tors. eta vs tors. theta energy: -62.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1013.553358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.553358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.553358 (E_RNA)
where:
Base-Base interactions energy: -653.684
where: short stacking energy: -279.928
Base-Backbone interact. energy: -1.968
local terms energy: -357.900736
where:
bonds (distance) C4'-P energy: -74.817
bonds (distance) P-C4' energy: -88.553
flat angles C4'-P-C4' energy: -77.127
flat angles P-C4'-P energy: -50.883
tors. eta vs tors. theta energy: -66.520
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: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -830.586806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.586806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.586806 (E_RNA)
where:
Base-Base interactions energy: -525.499
where: short stacking energy: -237.077
Base-Backbone interact. energy: -0.656
local terms energy: -304.431814
where:
bonds (distance) C4'-P energy: -59.128
bonds (distance) P-C4' energy: -85.847
flat angles C4'-P-C4' energy: -85.002
flat angles P-C4'-P energy: -34.665
tors. eta vs tors. theta energy: -39.790
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: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -793.462362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.462362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.462362 (E_RNA)
where:
Base-Base interactions energy: -527.409
where: short stacking energy: -212.773
Base-Backbone interact. energy: 1.251
local terms energy: -267.304119
where:
bonds (distance) C4'-P energy: -70.102
bonds (distance) P-C4' energy: -72.627
flat angles C4'-P-C4' energy: -62.452
flat angles P-C4'-P energy: -34.304
tors. eta vs tors. theta energy: -27.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1564.014123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.014123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.014123 (E_RNA)
where:
Base-Base interactions energy: -1068.527
where: short stacking energy: -464.864
Base-Backbone interact. energy: 1.275
local terms energy: -496.762212
where:
bonds (distance) C4'-P energy: -97.378
bonds (distance) P-C4' energy: -98.236
flat angles C4'-P-C4' energy: -110.093
flat angles P-C4'-P energy: -59.203
tors. eta vs tors. theta energy: -131.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1527.243113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.243113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.243113 (E_RNA)
where:
Base-Base interactions energy: -1056.435
where: short stacking energy: -475.848
Base-Backbone interact. energy: -3.112
local terms energy: -467.696555
where:
bonds (distance) C4'-P energy: -93.318
bonds (distance) P-C4' energy: -88.217
flat angles C4'-P-C4' energy: -93.771
flat angles P-C4'-P energy: -62.995
tors. eta vs tors. theta energy: -129.396
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: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1472.083001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.083001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.083001 (E_RNA)
where:
Base-Base interactions energy: -1017.437
where: short stacking energy: -434.616
Base-Backbone interact. energy: -1.908
local terms energy: -452.737923
where:
bonds (distance) C4'-P energy: -80.170
bonds (distance) P-C4' energy: -89.798
flat angles C4'-P-C4' energy: -98.116
flat angles P-C4'-P energy: -66.149
tors. eta vs tors. theta energy: -118.506
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: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1375.608557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.608557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.608557 (E_RNA)
where:
Base-Base interactions energy: -932.100
where: short stacking energy: -392.259
Base-Backbone interact. energy: -2.103
local terms energy: -441.406233
where:
bonds (distance) C4'-P energy: -96.484
bonds (distance) P-C4' energy: -80.302
flat angles C4'-P-C4' energy: -92.337
flat angles P-C4'-P energy: -65.427
tors. eta vs tors. theta energy: -106.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1303.090454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.090454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.090454 (E_RNA)
where:
Base-Base interactions energy: -878.365
where: short stacking energy: -371.370
Base-Backbone interact. energy: 0.076
local terms energy: -424.802042
where:
bonds (distance) C4'-P energy: -91.937
bonds (distance) P-C4' energy: -88.762
flat angles C4'-P-C4' energy: -97.632
flat angles P-C4'-P energy: -67.051
tors. eta vs tors. theta energy: -79.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1140.704633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.704633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.704633 (E_RNA)
where:
Base-Base interactions energy: -771.653
where: short stacking energy: -352.130
Base-Backbone interact. energy: -0.399
local terms energy: -368.652323
where:
bonds (distance) C4'-P energy: -68.893
bonds (distance) P-C4' energy: -85.291
flat angles C4'-P-C4' energy: -62.588
flat angles P-C4'-P energy: -60.813
tors. eta vs tors. theta energy: -91.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1050.417025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.417025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.417025 (E_RNA)
where:
Base-Base interactions energy: -697.332
where: short stacking energy: -341.955
Base-Backbone interact. energy: 0.339
local terms energy: -353.423824
where:
bonds (distance) C4'-P energy: -81.520
bonds (distance) P-C4' energy: -64.549
flat angles C4'-P-C4' energy: -84.765
flat angles P-C4'-P energy: -48.704
tors. eta vs tors. theta energy: -73.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1020.100656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.100656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.100656 (E_RNA)
where:
Base-Base interactions energy: -678.145
where: short stacking energy: -313.084
Base-Backbone interact. energy: -1.779
local terms energy: -340.177520
where:
bonds (distance) C4'-P energy: -83.420
bonds (distance) P-C4' energy: -74.199
flat angles C4'-P-C4' energy: -82.452
flat angles P-C4'-P energy: -36.871
tors. eta vs tors. theta energy: -63.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -871.523301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.523301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.523301 (E_RNA)
where:
Base-Base interactions energy: -572.545
where: short stacking energy: -242.965
Base-Backbone interact. energy: 2.476
local terms energy: -301.455056
where:
bonds (distance) C4'-P energy: -67.832
bonds (distance) P-C4' energy: -79.973
flat angles C4'-P-C4' energy: -69.296
flat angles P-C4'-P energy: -40.662
tors. eta vs tors. theta energy: -43.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -731.184456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.184456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.184456 (E_RNA)
where:
Base-Base interactions energy: -466.814
where: short stacking energy: -203.182
Base-Backbone interact. energy: 5.972
local terms energy: -270.342211
where:
bonds (distance) C4'-P energy: -65.445
bonds (distance) P-C4' energy: -78.190
flat angles C4'-P-C4' energy: -67.004
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1577.213539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.213539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.213539 (E_RNA)
where:
Base-Base interactions energy: -1065.830
where: short stacking energy: -449.579
Base-Backbone interact. energy: -3.427
local terms energy: -507.956460
where:
bonds (distance) C4'-P energy: -93.215
bonds (distance) P-C4' energy: -104.215
flat angles C4'-P-C4' energy: -106.326
flat angles P-C4'-P energy: -64.450
tors. eta vs tors. theta energy: -139.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1498.308130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.308130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.308130 (E_RNA)
where:
Base-Base interactions energy: -1040.130
where: short stacking energy: -447.329
Base-Backbone interact. energy: -2.983
local terms energy: -455.194771
where:
bonds (distance) C4'-P energy: -73.178
bonds (distance) P-C4' energy: -96.284
flat angles C4'-P-C4' energy: -104.202
flat angles P-C4'-P energy: -57.812
tors. eta vs tors. theta energy: -123.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1469.726962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.726962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.726962 (E_RNA)
where:
Base-Base interactions energy: -1024.138
where: short stacking energy: -432.005
Base-Backbone interact. energy: -2.325
local terms energy: -443.263863
where:
bonds (distance) C4'-P energy: -89.727
bonds (distance) P-C4' energy: -76.956
flat angles C4'-P-C4' energy: -100.304
flat angles P-C4'-P energy: -56.738
tors. eta vs tors. theta energy: -119.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1371.866956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.866956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.866956 (E_RNA)
where:
Base-Base interactions energy: -926.951
where: short stacking energy: -427.373
Base-Backbone interact. energy: -0.980
local terms energy: -443.935950
where:
bonds (distance) C4'-P energy: -71.722
bonds (distance) P-C4' energy: -86.206
flat angles C4'-P-C4' energy: -96.483
flat angles P-C4'-P energy: -67.747
tors. eta vs tors. theta energy: -121.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1317.832345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.832345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.832345 (E_RNA)
where:
Base-Base interactions energy: -889.707
where: short stacking energy: -415.555
Base-Backbone interact. energy: 0.468
local terms energy: -428.593712
where:
bonds (distance) C4'-P energy: -68.766
bonds (distance) P-C4' energy: -87.163
flat angles C4'-P-C4' energy: -94.217
flat angles P-C4'-P energy: -61.091
tors. eta vs tors. theta energy: -117.357
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: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1145.680336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.680336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.680336 (E_RNA)
where:
Base-Base interactions energy: -744.432
where: short stacking energy: -323.847
Base-Backbone interact. energy: -0.886
local terms energy: -400.362323
where:
bonds (distance) C4'-P energy: -87.720
bonds (distance) P-C4' energy: -88.032
flat angles C4'-P-C4' energy: -87.396
flat angles P-C4'-P energy: -57.133
tors. eta vs tors. theta energy: -80.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1069.072157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.072157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.072157 (E_RNA)
where:
Base-Base interactions energy: -696.923
where: short stacking energy: -330.001
Base-Backbone interact. energy: 4.137
local terms energy: -376.285355
where:
bonds (distance) C4'-P energy: -71.301
bonds (distance) P-C4' energy: -78.078
flat angles C4'-P-C4' energy: -87.475
flat angles P-C4'-P energy: -63.332
tors. eta vs tors. theta energy: -76.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1004.912947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.912947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.912947 (E_RNA)
where:
Base-Base interactions energy: -662.222
where: short stacking energy: -274.652
Base-Backbone interact. energy: -2.830
local terms energy: -339.860664
where:
bonds (distance) C4'-P energy: -91.685
bonds (distance) P-C4' energy: -75.863
flat angles C4'-P-C4' energy: -76.353
flat angles P-C4'-P energy: -51.873
tors. eta vs tors. theta energy: -44.087
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: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -883.397639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.397639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.397639 (E_RNA)
where:
Base-Base interactions energy: -580.132
where: short stacking energy: -255.936
Base-Backbone interact. energy: 2.103
local terms energy: -305.368726
where:
bonds (distance) C4'-P energy: -68.837
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -63.939
flat angles P-C4'-P energy: -46.120
tors. eta vs tors. theta energy: -41.481
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: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -706.494008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.494008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.494008 (E_RNA)
where:
Base-Base interactions energy: -439.454
where: short stacking energy: -187.341
Base-Backbone interact. energy: -0.327
local terms energy: -266.712756
where:
bonds (distance) C4'-P energy: -70.559
bonds (distance) P-C4' energy: -76.075
flat angles C4'-P-C4' energy: -62.894
flat angles P-C4'-P energy: -43.964
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: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1557.753127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.753127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.753127 (E_RNA)
where:
Base-Base interactions energy: -1069.728
where: short stacking energy: -472.394
Base-Backbone interact. energy: -2.894
local terms energy: -485.130451
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -99.544
flat angles C4'-P-C4' energy: -106.401
flat angles P-C4'-P energy: -63.421
tors. eta vs tors. theta energy: -130.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1560.204782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.204782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.204782 (E_RNA)
where:
Base-Base interactions energy: -1084.929
where: short stacking energy: -438.523
Base-Backbone interact. energy: -5.329
local terms energy: -469.946894
where:
bonds (distance) C4'-P energy: -83.690
bonds (distance) P-C4' energy: -92.193
flat angles C4'-P-C4' energy: -97.661
flat angles P-C4'-P energy: -65.204
tors. eta vs tors. theta energy: -131.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1465.310845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.310845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.310845 (E_RNA)
where:
Base-Base interactions energy: -1034.194
where: short stacking energy: -437.229
Base-Backbone interact. energy: -2.046
local terms energy: -429.071230
where:
bonds (distance) C4'-P energy: -78.978
bonds (distance) P-C4' energy: -75.009
flat angles C4'-P-C4' energy: -92.882
flat angles P-C4'-P energy: -62.798
tors. eta vs tors. theta energy: -119.405
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: 428
Temperature: 1.050000
Total energy: -1376.272236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.272236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.272236 (E_RNA)
where:
Base-Base interactions energy: -939.473
where: short stacking energy: -420.793
Base-Backbone interact. energy: -2.268
local terms energy: -434.531086
where:
bonds (distance) C4'-P energy: -78.498
bonds (distance) P-C4' energy: -85.596
flat angles C4'-P-C4' energy: -97.257
flat angles P-C4'-P energy: -54.178
tors. eta vs tors. theta energy: -119.002
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: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1326.602368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.602368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.602368 (E_RNA)
where:
Base-Base interactions energy: -911.349
where: short stacking energy: -383.935
Base-Backbone interact. energy: -1.335
local terms energy: -413.918267
where:
bonds (distance) C4'-P energy: -77.845
bonds (distance) P-C4' energy: -87.153
flat angles C4'-P-C4' energy: -89.299
flat angles P-C4'-P energy: -66.997
tors. eta vs tors. theta energy: -92.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1166.143538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.143538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.143538 (E_RNA)
where:
Base-Base interactions energy: -790.901
where: short stacking energy: -343.712
Base-Backbone interact. energy: -0.648
local terms energy: -374.595016
where:
bonds (distance) C4'-P energy: -73.755
bonds (distance) P-C4' energy: -80.427
flat angles C4'-P-C4' energy: -82.152
flat angles P-C4'-P energy: -60.233
tors. eta vs tors. theta energy: -78.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1086.093120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.093120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.093120 (E_RNA)
where:
Base-Base interactions energy: -733.200
where: short stacking energy: -310.466
Base-Backbone interact. energy: -3.238
local terms energy: -349.654920
where:
bonds (distance) C4'-P energy: -70.658
bonds (distance) P-C4' energy: -69.276
flat angles C4'-P-C4' energy: -87.051
flat angles P-C4'-P energy: -58.453
tors. eta vs tors. theta energy: -64.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1005.927637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.927637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.927637 (E_RNA)
where:
Base-Base interactions energy: -660.866
where: short stacking energy: -299.510
Base-Backbone interact. energy: -0.776
local terms energy: -344.285724
where:
bonds (distance) C4'-P energy: -80.407
bonds (distance) P-C4' energy: -74.431
flat angles C4'-P-C4' energy: -74.714
flat angles P-C4'-P energy: -52.266
tors. eta vs tors. theta energy: -62.468
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: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -730.336453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.336453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.336453 (E_RNA)
where:
Base-Base interactions energy: -454.010
where: short stacking energy: -201.081
Base-Backbone interact. energy: 2.453
local terms energy: -278.779990
where:
bonds (distance) C4'-P energy: -78.623
bonds (distance) P-C4' energy: -87.795
flat angles C4'-P-C4' energy: -74.471
flat angles P-C4'-P energy: -24.221
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: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -782.515334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.515334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.515334 (E_RNA)
where:
Base-Base interactions energy: -495.649
where: short stacking energy: -224.069
Base-Backbone interact. energy: -1.338
local terms energy: -285.527827
where:
bonds (distance) C4'-P energy: -58.857
bonds (distance) P-C4' energy: -79.048
flat angles C4'-P-C4' energy: -68.505
flat angles P-C4'-P energy: -48.037
tors. eta vs tors. theta energy: -31.082
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: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1562.963128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.963128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.963128 (E_RNA)
where:
Base-Base interactions energy: -1098.748
where: short stacking energy: -477.048
Base-Backbone interact. energy: 0.817
local terms energy: -465.032757
where:
bonds (distance) C4'-P energy: -88.749
bonds (distance) P-C4' energy: -94.540
flat angles C4'-P-C4' energy: -91.092
flat angles P-C4'-P energy: -62.987
tors. eta vs tors. theta energy: -127.664
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: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1524.929016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.929016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.929016 (E_RNA)
where:
Base-Base interactions energy: -1050.017
where: short stacking energy: -436.159
Base-Backbone interact. energy: -2.426
local terms energy: -472.485573
where:
bonds (distance) C4'-P energy: -82.004
bonds (distance) P-C4' energy: -98.709
flat angles C4'-P-C4' energy: -98.157
flat angles P-C4'-P energy: -65.584
tors. eta vs tors. theta energy: -128.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1459.792712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.792712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.792712 (E_RNA)
where:
Base-Base interactions energy: -1023.043
where: short stacking energy: -447.030
Base-Backbone interact. energy: 2.322
local terms energy: -439.071733
where:
bonds (distance) C4'-P energy: -76.065
bonds (distance) P-C4' energy: -76.086
flat angles C4'-P-C4' energy: -103.126
flat angles P-C4'-P energy: -64.051
tors. eta vs tors. theta energy: -119.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1394.225908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.225908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.225908 (E_RNA)
where:
Base-Base interactions energy: -971.913
where: short stacking energy: -399.873
Base-Backbone interact. energy: -0.544
local terms energy: -421.768822
where:
bonds (distance) C4'-P energy: -78.052
bonds (distance) P-C4' energy: -82.711
flat angles C4'-P-C4' energy: -95.423
flat angles P-C4'-P energy: -50.641
tors. eta vs tors. theta energy: -114.942
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: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1304.022427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.022427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.022427 (E_RNA)
where:
Base-Base interactions energy: -891.802
where: short stacking energy: -382.499
Base-Backbone interact. energy: -0.259
local terms energy: -411.961196
where:
bonds (distance) C4'-P energy: -71.845
bonds (distance) P-C4' energy: -91.728
flat angles C4'-P-C4' energy: -86.490
flat angles P-C4'-P energy: -57.787
tors. eta vs tors. theta energy: -104.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1154.780280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.780280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.780280 (E_RNA)
where:
Base-Base interactions energy: -774.843
where: short stacking energy: -353.049
Base-Backbone interact. energy: 1.833
local terms energy: -381.770830
where:
bonds (distance) C4'-P energy: -85.625
bonds (distance) P-C4' energy: -62.687
flat angles C4'-P-C4' energy: -93.171
flat angles P-C4'-P energy: -59.158
tors. eta vs tors. theta energy: -81.130
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: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1097.857386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.857386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.857386 (E_RNA)
where:
Base-Base interactions energy: -744.362
where: short stacking energy: -353.154
Base-Backbone interact. energy: 0.452
local terms energy: -353.947616
where:
bonds (distance) C4'-P energy: -65.060
bonds (distance) P-C4' energy: -72.589
flat angles C4'-P-C4' energy: -83.805
flat angles P-C4'-P energy: -60.094
tors. eta vs tors. theta energy: -72.401
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: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -991.945186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.945186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.945186 (E_RNA)
where:
Base-Base interactions energy: -667.455
where: short stacking energy: -279.645
Base-Backbone interact. energy: 1.194
local terms energy: -325.683717
where:
bonds (distance) C4'-P energy: -71.084
bonds (distance) P-C4' energy: -70.807
flat angles C4'-P-C4' energy: -75.032
flat angles P-C4'-P energy: -52.851
tors. eta vs tors. theta energy: -55.910
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: 429
Temperature: 1.300000
Total energy: -736.772974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.772974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.772974 (E_RNA)
where:
Base-Base interactions energy: -446.759
where: short stacking energy: -222.288
Base-Backbone interact. energy: -1.368
local terms energy: -288.645795
where:
bonds (distance) C4'-P energy: -72.257
bonds (distance) P-C4' energy: -77.257
flat angles C4'-P-C4' energy: -63.310
flat angles P-C4'-P energy: -48.681
tors. eta vs tors. theta energy: -27.141
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: 10, replica: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -785.922550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.922550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.922550 (E_RNA)
where:
Base-Base interactions energy: -506.547
where: short stacking energy: -216.574
Base-Backbone interact. energy: -0.666
local terms energy: -278.709247
where:
bonds (distance) C4'-P energy: -67.307
bonds (distance) P-C4' energy: -79.054
flat angles C4'-P-C4' energy: -65.537
flat angles P-C4'-P energy: -39.183
tors. eta vs tors. theta energy: -27.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1576.637946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.637946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.637946 (E_RNA)
where:
Base-Base interactions energy: -1082.550
where: short stacking energy: -455.178
Base-Backbone interact. energy: -3.067
local terms energy: -491.020932
where:
bonds (distance) C4'-P energy: -97.970
bonds (distance) P-C4' energy: -89.896
flat angles C4'-P-C4' energy: -108.199
flat angles P-C4'-P energy: -69.283
tors. eta vs tors. theta energy: -125.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1539.501587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.501587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.501587 (E_RNA)
where:
Base-Base interactions energy: -1061.288
where: short stacking energy: -449.128
Base-Backbone interact. energy: -3.477
local terms energy: -474.736576
where:
bonds (distance) C4'-P energy: -82.952
bonds (distance) P-C4' energy: -96.272
flat angles C4'-P-C4' energy: -103.009
flat angles P-C4'-P energy: -62.259
tors. eta vs tors. theta energy: -130.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1419.288506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.288506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.288506 (E_RNA)
where:
Base-Base interactions energy: -951.302
where: short stacking energy: -416.030
Base-Backbone interact. energy: -0.863
local terms energy: -467.123746
where:
bonds (distance) C4'-P energy: -93.722
bonds (distance) P-C4' energy: -90.572
flat angles C4'-P-C4' energy: -104.795
flat angles P-C4'-P energy: -58.681
tors. eta vs tors. theta energy: -119.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1403.741721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.741721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.741721 (E_RNA)
where:
Base-Base interactions energy: -967.023
where: short stacking energy: -420.110
Base-Backbone interact. energy: -0.392
local terms energy: -436.327317
where:
bonds (distance) C4'-P energy: -86.540
bonds (distance) P-C4' energy: -92.942
flat angles C4'-P-C4' energy: -86.322
flat angles P-C4'-P energy: -58.874
tors. eta vs tors. theta energy: -111.649
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: 430
Temperature: 1.100000
Total energy: -1278.253809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.253809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.253809 (E_RNA)
where:
Base-Base interactions energy: -878.701
where: short stacking energy: -370.267
Base-Backbone interact. energy: -0.329
local terms energy: -399.223179
where:
bonds (distance) C4'-P energy: -78.023
bonds (distance) P-C4' energy: -79.466
flat angles C4'-P-C4' energy: -92.328
flat angles P-C4'-P energy: -62.460
tors. eta vs tors. theta energy: -86.946
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: 430
Temperature: 1.150000
Total energy: -1157.004970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.004970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.004970 (E_RNA)
where:
Base-Base interactions energy: -801.701
where: short stacking energy: -349.318
Base-Backbone interact. energy: 2.194
local terms energy: -357.497908
where:
bonds (distance) C4'-P energy: -60.856
bonds (distance) P-C4' energy: -80.146
flat angles C4'-P-C4' energy: -85.859
flat angles P-C4'-P energy: -43.819
tors. eta vs tors. theta energy: -86.818
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: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1093.134594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.134594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.134594 (E_RNA)
where:
Base-Base interactions energy: -758.368
where: short stacking energy: -317.681
Base-Backbone interact. energy: 4.160
local terms energy: -338.926679
where:
bonds (distance) C4'-P energy: -79.082
bonds (distance) P-C4' energy: -76.133
flat angles C4'-P-C4' energy: -79.688
flat angles P-C4'-P energy: -50.548
tors. eta vs tors. theta energy: -53.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -993.709985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.709985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.709985 (E_RNA)
where:
Base-Base interactions energy: -663.666
where: short stacking energy: -308.635
Base-Backbone interact. energy: 0.681
local terms energy: -330.724659
where:
bonds (distance) C4'-P energy: -73.287
bonds (distance) P-C4' energy: -84.818
flat angles C4'-P-C4' energy: -81.764
flat angles P-C4'-P energy: -37.795
tors. eta vs tors. theta energy: -53.061
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: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -797.865278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.865278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.865278 (E_RNA)
where:
Base-Base interactions energy: -499.904
where: short stacking energy: -250.227
Base-Backbone interact. energy: -2.126
local terms energy: -295.835683
where:
bonds (distance) C4'-P energy: -64.244
bonds (distance) P-C4' energy: -77.615
flat angles C4'-P-C4' energy: -68.790
flat angles P-C4'-P energy: -40.069
tors. eta vs tors. theta energy: -45.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -716.555497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.555497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.555497 (E_RNA)
where:
Base-Base interactions energy: -439.474
where: short stacking energy: -201.560
Base-Backbone interact. energy: 3.630
local terms energy: -280.711560
where:
bonds (distance) C4'-P energy: -80.837
bonds (distance) P-C4' energy: -64.645
flat angles C4'-P-C4' energy: -70.693
flat angles P-C4'-P energy: -38.766
tors. eta vs tors. theta energy: -25.771
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: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1574.922409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.922409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.922409 (E_RNA)
where:
Base-Base interactions energy: -1079.327
where: short stacking energy: -465.899
Base-Backbone interact. energy: -2.508
local terms energy: -493.087346
where:
bonds (distance) C4'-P energy: -90.880
bonds (distance) P-C4' energy: -95.845
flat angles C4'-P-C4' energy: -101.449
flat angles P-C4'-P energy: -76.602
tors. eta vs tors. theta energy: -128.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1550.347694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.347694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.347694 (E_RNA)
where:
Base-Base interactions energy: -1072.025
where: short stacking energy: -483.016
Base-Backbone interact. energy: -3.944
local terms energy: -474.378198
where:
bonds (distance) C4'-P energy: -92.747
bonds (distance) P-C4' energy: -84.407
flat angles C4'-P-C4' energy: -101.462
flat angles P-C4'-P energy: -63.136
tors. eta vs tors. theta energy: -132.626
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: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1408.785314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.785314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.785314 (E_RNA)
where:
Base-Base interactions energy: -971.674
where: short stacking energy: -437.331
Base-Backbone interact. energy: -0.286
local terms energy: -436.825582
where:
bonds (distance) C4'-P energy: -82.481
bonds (distance) P-C4' energy: -75.596
flat angles C4'-P-C4' energy: -96.446
flat angles P-C4'-P energy: -65.539
tors. eta vs tors. theta energy: -116.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1367.955886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.955886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.955886 (E_RNA)
where:
Base-Base interactions energy: -944.584
where: short stacking energy: -381.028
Base-Backbone interact. energy: 1.031
local terms energy: -424.403373
where:
bonds (distance) C4'-P energy: -84.275
bonds (distance) P-C4' energy: -95.629
flat angles C4'-P-C4' energy: -84.403
flat angles P-C4'-P energy: -60.756
tors. eta vs tors. theta energy: -99.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1308.951051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.951051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.951051 (E_RNA)
where:
Base-Base interactions energy: -872.942
where: short stacking energy: -399.763
Base-Backbone interact. energy: -1.684
local terms energy: -434.325732
where:
bonds (distance) C4'-P energy: -87.192
bonds (distance) P-C4' energy: -95.319
flat angles C4'-P-C4' energy: -93.489
flat angles P-C4'-P energy: -51.897
tors. eta vs tors. theta energy: -106.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1181.468776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.468776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.468776 (E_RNA)
where:
Base-Base interactions energy: -810.712
where: short stacking energy: -359.982
Base-Backbone interact. energy: -3.497
local terms energy: -367.259948
where:
bonds (distance) C4'-P energy: -77.225
bonds (distance) P-C4' energy: -66.515
flat angles C4'-P-C4' energy: -83.986
flat angles P-C4'-P energy: -56.112
tors. eta vs tors. theta energy: -83.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1152.843955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.843955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.843955 (E_RNA)
where:
Base-Base interactions energy: -766.380
where: short stacking energy: -337.323
Base-Backbone interact. energy: 0.191
local terms energy: -386.654421
where:
bonds (distance) C4'-P energy: -79.138
bonds (distance) P-C4' energy: -82.589
flat angles C4'-P-C4' energy: -80.421
flat angles P-C4'-P energy: -55.174
tors. eta vs tors. theta energy: -89.333
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: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -976.713484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.713484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.713484 (E_RNA)
where:
Base-Base interactions energy: -622.290
where: short stacking energy: -317.821
Base-Backbone interact. energy: -1.355
local terms energy: -353.068567
where:
bonds (distance) C4'-P energy: -73.336
bonds (distance) P-C4' energy: -74.287
flat angles C4'-P-C4' energy: -81.350
flat angles P-C4'-P energy: -48.706
tors. eta vs tors. theta energy: -75.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -817.773704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.773704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.773704 (E_RNA)
where:
Base-Base interactions energy: -535.547
where: short stacking energy: -247.150
Base-Backbone interact. energy: -2.603
local terms energy: -279.623766
where:
bonds (distance) C4'-P energy: -65.795
bonds (distance) P-C4' energy: -71.371
flat angles C4'-P-C4' energy: -57.532
flat angles P-C4'-P energy: -41.493
tors. eta vs tors. theta energy: -43.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -728.087710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.087710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.087710 (E_RNA)
where:
Base-Base interactions energy: -447.413
where: short stacking energy: -194.289
Base-Backbone interact. energy: 1.907
local terms energy: -282.581236
where:
bonds (distance) C4'-P energy: -67.240
bonds (distance) P-C4' energy: -84.505
flat angles C4'-P-C4' energy: -61.247
flat angles P-C4'-P energy: -57.634
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1596.050491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.050491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.050491 (E_RNA)
where:
Base-Base interactions energy: -1124.174
where: short stacking energy: -487.621
Base-Backbone interact. energy: -3.632
local terms energy: -468.244707
where:
bonds (distance) C4'-P energy: -87.793
bonds (distance) P-C4' energy: -88.541
flat angles C4'-P-C4' energy: -106.209
flat angles P-C4'-P energy: -58.851
tors. eta vs tors. theta energy: -126.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1530.930296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.930296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.930296 (E_RNA)
where:
Base-Base interactions energy: -1055.054
where: short stacking energy: -468.248
Base-Backbone interact. energy: -0.848
local terms energy: -475.028415
where:
bonds (distance) C4'-P energy: -77.835
bonds (distance) P-C4' energy: -89.979
flat angles C4'-P-C4' energy: -98.882
flat angles P-C4'-P energy: -80.535
tors. eta vs tors. theta energy: -127.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1427.033773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.033773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.033773 (E_RNA)
where:
Base-Base interactions energy: -980.870
where: short stacking energy: -411.556
Base-Backbone interact. energy: 2.487
local terms energy: -448.650203
where:
bonds (distance) C4'-P energy: -95.324
bonds (distance) P-C4' energy: -95.522
flat angles C4'-P-C4' energy: -90.111
flat angles P-C4'-P energy: -59.554
tors. eta vs tors. theta energy: -108.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1354.377759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.377759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.377759 (E_RNA)
where:
Base-Base interactions energy: -938.853
where: short stacking energy: -427.256
Base-Backbone interact. energy: -0.965
local terms energy: -414.559811
where:
bonds (distance) C4'-P energy: -71.448
bonds (distance) P-C4' energy: -81.818
flat angles C4'-P-C4' energy: -84.226
flat angles P-C4'-P energy: -47.792
tors. eta vs tors. theta energy: -129.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1283.871458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.871458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.871458 (E_RNA)
where:
Base-Base interactions energy: -871.979
where: short stacking energy: -366.924
Base-Backbone interact. energy: -1.808
local terms energy: -410.084194
where:
bonds (distance) C4'-P energy: -85.573
bonds (distance) P-C4' energy: -81.711
flat angles C4'-P-C4' energy: -96.330
flat angles P-C4'-P energy: -53.935
tors. eta vs tors. theta energy: -92.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1158.133644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.133644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.133644 (E_RNA)
where:
Base-Base interactions energy: -799.195
where: short stacking energy: -329.233
Base-Backbone interact. energy: -4.487
local terms energy: -354.452271
where:
bonds (distance) C4'-P energy: -84.949
bonds (distance) P-C4' energy: -69.892
flat angles C4'-P-C4' energy: -84.613
flat angles P-C4'-P energy: -46.877
tors. eta vs tors. theta energy: -68.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1163.364310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.364310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.364310 (E_RNA)
where:
Base-Base interactions energy: -789.737
where: short stacking energy: -358.084
Base-Backbone interact. energy: -1.463
local terms energy: -372.164240
where:
bonds (distance) C4'-P energy: -72.675
bonds (distance) P-C4' energy: -75.629
flat angles C4'-P-C4' energy: -96.952
flat angles P-C4'-P energy: -45.669
tors. eta vs tors. theta energy: -81.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1001.378494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.378494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.378494 (E_RNA)
where:
Base-Base interactions energy: -675.847
where: short stacking energy: -297.042
Base-Backbone interact. energy: 4.464
local terms energy: -329.995235
where:
bonds (distance) C4'-P energy: -57.613
bonds (distance) P-C4' energy: -84.289
flat angles C4'-P-C4' energy: -89.565
flat angles P-C4'-P energy: -31.939
tors. eta vs tors. theta energy: -66.588
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: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -815.077090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.077090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.077090 (E_RNA)
where:
Base-Base interactions energy: -509.275
where: short stacking energy: -246.596
Base-Backbone interact. energy: -1.295
local terms energy: -304.506608
where:
bonds (distance) C4'-P energy: -77.080
bonds (distance) P-C4' energy: -78.251
flat angles C4'-P-C4' energy: -64.447
flat angles P-C4'-P energy: -40.573
tors. eta vs tors. theta energy: -44.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -680.615400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.615400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.615400 (E_RNA)
where:
Base-Base interactions energy: -395.612
where: short stacking energy: -182.852
Base-Backbone interact. energy: 2.017
local terms energy: -287.019710
where:
bonds (distance) C4'-P energy: -77.779
bonds (distance) P-C4' energy: -78.999
flat angles C4'-P-C4' energy: -79.881
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -26.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1572.310686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.310686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.310686 (E_RNA)
where:
Base-Base interactions energy: -1069.920
where: short stacking energy: -482.730
Base-Backbone interact. energy: -2.977
local terms energy: -499.413665
where:
bonds (distance) C4'-P energy: -92.768
bonds (distance) P-C4' energy: -97.689
flat angles C4'-P-C4' energy: -118.379
flat angles P-C4'-P energy: -58.446
tors. eta vs tors. theta energy: -132.131
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: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1533.755143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.755143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.755143 (E_RNA)
where:
Base-Base interactions energy: -1043.250
where: short stacking energy: -450.260
Base-Backbone interact. energy: -3.007
local terms energy: -487.497744
where:
bonds (distance) C4'-P energy: -92.322
bonds (distance) P-C4' energy: -89.011
flat angles C4'-P-C4' energy: -110.625
flat angles P-C4'-P energy: -67.919
tors. eta vs tors. theta energy: -127.621
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: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1445.396940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.396940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.396940 (E_RNA)
where:
Base-Base interactions energy: -1006.038
where: short stacking energy: -425.936
Base-Backbone interact. energy: 1.289
local terms energy: -440.648136
where:
bonds (distance) C4'-P energy: -87.281
bonds (distance) P-C4' energy: -87.082
flat angles C4'-P-C4' energy: -94.582
flat angles P-C4'-P energy: -67.223
tors. eta vs tors. theta energy: -104.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1393.611601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.611601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.611601 (E_RNA)
where:
Base-Base interactions energy: -953.841
where: short stacking energy: -419.423
Base-Backbone interact. energy: 1.205
local terms energy: -440.975218
where:
bonds (distance) C4'-P energy: -93.294
bonds (distance) P-C4' energy: -77.613
flat angles C4'-P-C4' energy: -94.032
flat angles P-C4'-P energy: -62.256
tors. eta vs tors. theta energy: -113.780
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: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1261.795937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.795937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.795937 (E_RNA)
where:
Base-Base interactions energy: -843.466
where: short stacking energy: -363.306
Base-Backbone interact. energy: -0.582
local terms energy: -417.747975
where:
bonds (distance) C4'-P energy: -88.036
bonds (distance) P-C4' energy: -75.583
flat angles C4'-P-C4' energy: -96.718
flat angles P-C4'-P energy: -60.891
tors. eta vs tors. theta energy: -96.521
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: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1207.113442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.113442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.113442 (E_RNA)
where:
Base-Base interactions energy: -807.194
where: short stacking energy: -338.831
Base-Backbone interact. energy: -1.523
local terms energy: -398.396441
where:
bonds (distance) C4'-P energy: -73.581
bonds (distance) P-C4' energy: -81.385
flat angles C4'-P-C4' energy: -95.276
flat angles P-C4'-P energy: -54.770
tors. eta vs tors. theta energy: -93.384
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: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1129.498105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.498105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.498105 (E_RNA)
where:
Base-Base interactions energy: -772.441
where: short stacking energy: -327.495
Base-Backbone interact. energy: 0.512
local terms energy: -357.569173
where:
bonds (distance) C4'-P energy: -70.179
bonds (distance) P-C4' energy: -72.095
flat angles C4'-P-C4' energy: -91.028
flat angles P-C4'-P energy: -58.413
tors. eta vs tors. theta energy: -65.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -851.887924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.887924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.887924 (E_RNA)
where:
Base-Base interactions energy: -513.645
where: short stacking energy: -233.000
Base-Backbone interact. energy: -2.408
local terms energy: -335.835140
where:
bonds (distance) C4'-P energy: -78.967
bonds (distance) P-C4' energy: -94.349
flat angles C4'-P-C4' energy: -85.434
flat angles P-C4'-P energy: -41.176
tors. eta vs tors. theta energy: -35.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -926.431649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.431649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.431649 (E_RNA)
where:
Base-Base interactions energy: -610.059
where: short stacking energy: -274.742
Base-Backbone interact. energy: -0.666
local terms energy: -315.706789
where:
bonds (distance) C4'-P energy: -65.915
bonds (distance) P-C4' energy: -84.299
flat angles C4'-P-C4' energy: -84.391
flat angles P-C4'-P energy: -47.447
tors. eta vs tors. theta energy: -33.655
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: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -715.977896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.977896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.977896 (E_RNA)
where:
Base-Base interactions energy: -449.539
where: short stacking energy: -210.361
Base-Backbone interact. energy: 0.577
local terms energy: -267.015901
where:
bonds (distance) C4'-P energy: -66.648
bonds (distance) P-C4' energy: -76.400
flat angles C4'-P-C4' energy: -72.192
flat angles P-C4'-P energy: -35.958
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1574.549871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.549871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.549871 (E_RNA)
where:
Base-Base interactions energy: -1100.296
where: short stacking energy: -478.132
Base-Backbone interact. energy: -3.246
local terms energy: -471.007853
where:
bonds (distance) C4'-P energy: -84.894
bonds (distance) P-C4' energy: -96.980
flat angles C4'-P-C4' energy: -102.861
flat angles P-C4'-P energy: -57.667
tors. eta vs tors. theta energy: -128.605
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: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1535.963122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.963122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.963122 (E_RNA)
where:
Base-Base interactions energy: -1089.044
where: short stacking energy: -455.911
Base-Backbone interact. energy: -0.230
local terms energy: -446.689442
where:
bonds (distance) C4'-P energy: -77.940
bonds (distance) P-C4' energy: -80.223
flat angles C4'-P-C4' energy: -100.483
flat angles P-C4'-P energy: -65.580
tors. eta vs tors. theta energy: -122.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1419.301398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.301398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.301398 (E_RNA)
where:
Base-Base interactions energy: -988.278
where: short stacking energy: -428.302
Base-Backbone interact. energy: -1.753
local terms energy: -429.270476
where:
bonds (distance) C4'-P energy: -89.739
bonds (distance) P-C4' energy: -82.153
flat angles C4'-P-C4' energy: -97.386
flat angles P-C4'-P energy: -48.695
tors. eta vs tors. theta energy: -111.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1394.937054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.937054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.937054 (E_RNA)
where:
Base-Base interactions energy: -965.106
where: short stacking energy: -405.650
Base-Backbone interact. energy: -1.364
local terms energy: -428.466580
where:
bonds (distance) C4'-P energy: -82.547
bonds (distance) P-C4' energy: -101.307
flat angles C4'-P-C4' energy: -80.356
flat angles P-C4'-P energy: -57.877
tors. eta vs tors. theta energy: -106.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1233.999883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.999883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.999883 (E_RNA)
where:
Base-Base interactions energy: -830.128
where: short stacking energy: -354.393
Base-Backbone interact. energy: -0.457
local terms energy: -403.415080
where:
bonds (distance) C4'-P energy: -81.043
bonds (distance) P-C4' energy: -81.365
flat angles C4'-P-C4' energy: -90.614
flat angles P-C4'-P energy: -61.396
tors. eta vs tors. theta energy: -88.997
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: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1227.995366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.995366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.995366 (E_RNA)
where:
Base-Base interactions energy: -839.025
where: short stacking energy: -351.353
Base-Backbone interact. energy: -0.921
local terms energy: -388.048673
where:
bonds (distance) C4'-P energy: -68.052
bonds (distance) P-C4' energy: -86.538
flat angles C4'-P-C4' energy: -96.713
flat angles P-C4'-P energy: -52.398
tors. eta vs tors. theta energy: -84.347
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: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1163.430561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.430561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.430561 (E_RNA)
where:
Base-Base interactions energy: -796.512
where: short stacking energy: -337.005
Base-Backbone interact. energy: 0.491
local terms energy: -367.409479
where:
bonds (distance) C4'-P energy: -68.202
bonds (distance) P-C4' energy: -77.057
flat angles C4'-P-C4' energy: -84.470
flat angles P-C4'-P energy: -55.540
tors. eta vs tors. theta energy: -82.140
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: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -819.481810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.481810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.481810 (E_RNA)
where:
Base-Base interactions energy: -524.812
where: short stacking energy: -220.794
Base-Backbone interact. energy: -2.041
local terms energy: -292.628605
where:
bonds (distance) C4'-P energy: -72.933
bonds (distance) P-C4' energy: -66.102
flat angles C4'-P-C4' energy: -71.882
flat angles P-C4'-P energy: -47.026
tors. eta vs tors. theta energy: -34.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -876.950574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.950574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.950574 (E_RNA)
where:
Base-Base interactions energy: -554.267
where: short stacking energy: -238.702
Base-Backbone interact. energy: -3.625
local terms energy: -319.058934
where:
bonds (distance) C4'-P energy: -85.909
bonds (distance) P-C4' energy: -72.655
flat angles C4'-P-C4' energy: -76.311
flat angles P-C4'-P energy: -48.205
tors. eta vs tors. theta energy: -35.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -685.495915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.495915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.495915 (E_RNA)
where:
Base-Base interactions energy: -431.186
where: short stacking energy: -196.213
Base-Backbone interact. energy: 1.604
local terms energy: -255.914665
where:
bonds (distance) C4'-P energy: -75.480
bonds (distance) P-C4' energy: -69.221
flat angles C4'-P-C4' energy: -62.477
flat angles P-C4'-P energy: -39.047
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: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1594.539441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.539441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.539441 (E_RNA)
where:
Base-Base interactions energy: -1125.940
where: short stacking energy: -472.177
Base-Backbone interact. energy: -1.025
local terms energy: -467.574181
where:
bonds (distance) C4'-P energy: -81.008
bonds (distance) P-C4' energy: -94.557
flat angles C4'-P-C4' energy: -107.619
flat angles P-C4'-P energy: -58.241
tors. eta vs tors. theta energy: -126.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1547.105087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.105087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.105087 (E_RNA)
where:
Base-Base interactions energy: -1096.277
where: short stacking energy: -446.315
Base-Backbone interact. energy: -1.186
local terms energy: -449.642052
where:
bonds (distance) C4'-P energy: -87.644
bonds (distance) P-C4' energy: -80.991
flat angles C4'-P-C4' energy: -92.619
flat angles P-C4'-P energy: -66.923
tors. eta vs tors. theta energy: -121.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1450.257425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.257425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.257425 (E_RNA)
where:
Base-Base interactions energy: -1018.101
where: short stacking energy: -420.833
Base-Backbone interact. energy: -1.487
local terms energy: -430.669459
where:
bonds (distance) C4'-P energy: -75.982
bonds (distance) P-C4' energy: -82.514
flat angles C4'-P-C4' energy: -99.437
flat angles P-C4'-P energy: -62.052
tors. eta vs tors. theta energy: -110.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1375.165217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.165217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.165217 (E_RNA)
where:
Base-Base interactions energy: -943.051
where: short stacking energy: -434.258
Base-Backbone interact. energy: -0.965
local terms energy: -431.148681
where:
bonds (distance) C4'-P energy: -68.311
bonds (distance) P-C4' energy: -82.900
flat angles C4'-P-C4' energy: -95.897
flat angles P-C4'-P energy: -60.122
tors. eta vs tors. theta energy: -123.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1216.260300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.260300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.260300 (E_RNA)
where:
Base-Base interactions energy: -810.810
where: short stacking energy: -353.658
Base-Backbone interact. energy: 0.171
local terms energy: -405.622068
where:
bonds (distance) C4'-P energy: -89.902
bonds (distance) P-C4' energy: -92.018
flat angles C4'-P-C4' energy: -78.253
flat angles P-C4'-P energy: -59.574
tors. eta vs tors. theta energy: -85.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1162.211418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.211418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.211418 (E_RNA)
where:
Base-Base interactions energy: -788.032
where: short stacking energy: -345.671
Base-Backbone interact. energy: 2.914
local terms energy: -377.092591
where:
bonds (distance) C4'-P energy: -79.964
bonds (distance) P-C4' energy: -87.504
flat angles C4'-P-C4' energy: -95.989
flat angles P-C4'-P energy: -40.073
tors. eta vs tors. theta energy: -73.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1128.055593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.055593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.055593 (E_RNA)
where:
Base-Base interactions energy: -763.979
where: short stacking energy: -347.152
Base-Backbone interact. energy: -0.720
local terms energy: -363.356820
where:
bonds (distance) C4'-P energy: -64.751
bonds (distance) P-C4' energy: -84.616
flat angles C4'-P-C4' energy: -84.107
flat angles P-C4'-P energy: -49.155
tors. eta vs tors. theta energy: -80.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -952.803927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.803927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.803927 (E_RNA)
where:
Base-Base interactions energy: -602.746
where: short stacking energy: -269.927
Base-Backbone interact. energy: -4.029
local terms energy: -346.028615
where:
bonds (distance) C4'-P energy: -82.495
bonds (distance) P-C4' energy: -76.371
flat angles C4'-P-C4' energy: -83.095
flat angles P-C4'-P energy: -47.038
tors. eta vs tors. theta energy: -57.029
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: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -810.857319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.857319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.857319 (E_RNA)
where:
Base-Base interactions energy: -504.041
where: short stacking energy: -206.528
Base-Backbone interact. energy: -2.205
local terms energy: -304.611726
where:
bonds (distance) C4'-P energy: -59.812
bonds (distance) P-C4' energy: -78.056
flat angles C4'-P-C4' energy: -83.069
flat angles P-C4'-P energy: -46.609
tors. eta vs tors. theta energy: -37.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -695.764671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.764671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.764671 (E_RNA)
where:
Base-Base interactions energy: -421.225
where: short stacking energy: -189.008
Base-Backbone interact. energy: 0.130
local terms energy: -274.669654
where:
bonds (distance) C4'-P energy: -61.138
bonds (distance) P-C4' energy: -85.281
flat angles C4'-P-C4' energy: -69.122
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1580.959185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.959185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.959185 (E_RNA)
where:
Base-Base interactions energy: -1100.085
where: short stacking energy: -479.418
Base-Backbone interact. energy: -1.931
local terms energy: -478.942875
where:
bonds (distance) C4'-P energy: -83.933
bonds (distance) P-C4' energy: -91.738
flat angles C4'-P-C4' energy: -108.037
flat angles P-C4'-P energy: -59.300
tors. eta vs tors. theta energy: -135.935
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: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1510.231300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.231300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.231300 (E_RNA)
where:
Base-Base interactions energy: -1063.143
where: short stacking energy: -452.363
Base-Backbone interact. energy: -2.813
local terms energy: -444.274667
where:
bonds (distance) C4'-P energy: -83.439
bonds (distance) P-C4' energy: -79.437
flat angles C4'-P-C4' energy: -98.366
flat angles P-C4'-P energy: -57.595
tors. eta vs tors. theta energy: -125.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1464.639637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.639637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.639637 (E_RNA)
where:
Base-Base interactions energy: -1012.458
where: short stacking energy: -424.435
Base-Backbone interact. energy: 2.532
local terms energy: -454.713209
where:
bonds (distance) C4'-P energy: -91.109
bonds (distance) P-C4' energy: -88.987
flat angles C4'-P-C4' energy: -91.129
flat angles P-C4'-P energy: -65.813
tors. eta vs tors. theta energy: -117.674
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: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1410.016547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.016547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.016547 (E_RNA)
where:
Base-Base interactions energy: -960.660
where: short stacking energy: -424.254
Base-Backbone interact. energy: -1.608
local terms energy: -447.748551
where:
bonds (distance) C4'-P energy: -88.819
bonds (distance) P-C4' energy: -94.478
flat angles C4'-P-C4' energy: -91.866
flat angles P-C4'-P energy: -56.962
tors. eta vs tors. theta energy: -115.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1216.501508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.501508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.501508 (E_RNA)
where:
Base-Base interactions energy: -812.357
where: short stacking energy: -357.196
Base-Backbone interact. energy: -1.863
local terms energy: -402.281236
where:
bonds (distance) C4'-P energy: -91.855
bonds (distance) P-C4' energy: -91.803
flat angles C4'-P-C4' energy: -70.525
flat angles P-C4'-P energy: -57.989
tors. eta vs tors. theta energy: -90.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1179.359210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.359210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.359210 (E_RNA)
where:
Base-Base interactions energy: -789.140
where: short stacking energy: -338.652
Base-Backbone interact. energy: -0.721
local terms energy: -389.498779
where:
bonds (distance) C4'-P energy: -76.027
bonds (distance) P-C4' energy: -93.412
flat angles C4'-P-C4' energy: -99.941
flat angles P-C4'-P energy: -43.309
tors. eta vs tors. theta energy: -76.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1147.678386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.678386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.678386 (E_RNA)
where:
Base-Base interactions energy: -780.850
where: short stacking energy: -352.381
Base-Backbone interact. energy: -2.177
local terms energy: -364.651735
where:
bonds (distance) C4'-P energy: -67.898
bonds (distance) P-C4' energy: -85.844
flat angles C4'-P-C4' energy: -79.260
flat angles P-C4'-P energy: -52.559
tors. eta vs tors. theta energy: -79.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -941.841243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.841243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.841243 (E_RNA)
where:
Base-Base interactions energy: -594.968
where: short stacking energy: -269.423
Base-Backbone interact. energy: -1.416
local terms energy: -345.456677
where:
bonds (distance) C4'-P energy: -82.525
bonds (distance) P-C4' energy: -81.632
flat angles C4'-P-C4' energy: -84.190
flat angles P-C4'-P energy: -46.789
tors. eta vs tors. theta energy: -50.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -806.494426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.494426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.494426 (E_RNA)
where:
Base-Base interactions energy: -494.166
where: short stacking energy: -226.830
Base-Backbone interact. energy: 3.212
local terms energy: -315.541030
where:
bonds (distance) C4'-P energy: -64.526
bonds (distance) P-C4' energy: -84.095
flat angles C4'-P-C4' energy: -68.152
flat angles P-C4'-P energy: -54.913
tors. eta vs tors. theta energy: -43.855
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: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -706.581490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.581490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.581490 (E_RNA)
where:
Base-Base interactions energy: -439.685
where: short stacking energy: -187.342
Base-Backbone interact. energy: -1.169
local terms energy: -265.727251
where:
bonds (distance) C4'-P energy: -63.695
bonds (distance) P-C4' energy: -88.704
flat angles C4'-P-C4' energy: -63.612
flat angles P-C4'-P energy: -34.138
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1580.206235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.206235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.206235 (E_RNA)
where:
Base-Base interactions energy: -1093.339
where: short stacking energy: -477.565
Base-Backbone interact. energy: -1.660
local terms energy: -485.207835
where:
bonds (distance) C4'-P energy: -91.294
bonds (distance) P-C4' energy: -92.879
flat angles C4'-P-C4' energy: -106.117
flat angles P-C4'-P energy: -67.915
tors. eta vs tors. theta energy: -127.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1523.844223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.844223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.844223 (E_RNA)
where:
Base-Base interactions energy: -1046.735
where: short stacking energy: -423.974
Base-Backbone interact. energy: -1.721
local terms energy: -475.388150
where:
bonds (distance) C4'-P energy: -91.100
bonds (distance) P-C4' energy: -90.305
flat angles C4'-P-C4' energy: -105.153
flat angles P-C4'-P energy: -69.967
tors. eta vs tors. theta energy: -118.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1495.986180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.986180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.986180 (E_RNA)
where:
Base-Base interactions energy: -1043.897
where: short stacking energy: -443.763
Base-Backbone interact. energy: -4.287
local terms energy: -447.802281
where:
bonds (distance) C4'-P energy: -86.199
bonds (distance) P-C4' energy: -97.600
flat angles C4'-P-C4' energy: -83.358
flat angles P-C4'-P energy: -59.500
tors. eta vs tors. theta energy: -121.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1383.327761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.327761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.327761 (E_RNA)
where:
Base-Base interactions energy: -942.553
where: short stacking energy: -414.322
Base-Backbone interact. energy: -1.888
local terms energy: -438.886897
where:
bonds (distance) C4'-P energy: -88.974
bonds (distance) P-C4' energy: -78.732
flat angles C4'-P-C4' energy: -87.394
flat angles P-C4'-P energy: -65.316
tors. eta vs tors. theta energy: -118.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1199.964238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.964238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.964238 (E_RNA)
where:
Base-Base interactions energy: -831.614
where: short stacking energy: -365.922
Base-Backbone interact. energy: -1.824
local terms energy: -366.526492
where:
bonds (distance) C4'-P energy: -68.873
bonds (distance) P-C4' energy: -80.264
flat angles C4'-P-C4' energy: -77.188
flat angles P-C4'-P energy: -53.704
tors. eta vs tors. theta energy: -86.498
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: 437
Temperature: 1.150000
Total energy: -1166.359545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.359545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.359545 (E_RNA)
where:
Base-Base interactions energy: -773.017
where: short stacking energy: -341.435
Base-Backbone interact. energy: -0.837
local terms energy: -392.505069
where:
bonds (distance) C4'-P energy: -83.820
bonds (distance) P-C4' energy: -86.779
flat angles C4'-P-C4' energy: -85.151
flat angles P-C4'-P energy: -54.347
tors. eta vs tors. theta energy: -82.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1135.910095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.910095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.910095 (E_RNA)
where:
Base-Base interactions energy: -796.491
where: short stacking energy: -327.552
Base-Backbone interact. energy: -4.782
local terms energy: -334.637632
where:
bonds (distance) C4'-P energy: -68.512
bonds (distance) P-C4' energy: -73.026
flat angles C4'-P-C4' energy: -84.744
flat angles P-C4'-P energy: -37.834
tors. eta vs tors. theta energy: -70.521
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: 8, replica: 2
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -920.301119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.301119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.301119 (E_RNA)
where:
Base-Base interactions energy: -599.587
where: short stacking energy: -273.701
Base-Backbone interact. energy: -0.550
local terms energy: -320.164696
where:
bonds (distance) C4'-P energy: -63.648
bonds (distance) P-C4' energy: -86.425
flat angles C4'-P-C4' energy: -90.852
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -43.174
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: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -785.600677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.600677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.600677 (E_RNA)
where:
Base-Base interactions energy: -480.353
where: short stacking energy: -199.619
Base-Backbone interact. energy: 2.306
local terms energy: -307.553498
where:
bonds (distance) C4'-P energy: -75.327
bonds (distance) P-C4' energy: -78.594
flat angles C4'-P-C4' energy: -87.521
flat angles P-C4'-P energy: -46.603
tors. eta vs tors. theta energy: -19.509
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: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -709.546150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.546150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.546150 (E_RNA)
where:
Base-Base interactions energy: -443.755
where: short stacking energy: -189.024
Base-Backbone interact. energy: 2.494
local terms energy: -268.285134
where:
bonds (distance) C4'-P energy: -79.394
bonds (distance) P-C4' energy: -63.570
flat angles C4'-P-C4' energy: -57.816
flat angles P-C4'-P energy: -27.439
tors. eta vs tors. theta energy: -40.067
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: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1548.950630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.950630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.950630 (E_RNA)
where:
Base-Base interactions energy: -1072.776
where: short stacking energy: -456.219
Base-Backbone interact. energy: -3.728
local terms energy: -472.447041
where:
bonds (distance) C4'-P energy: -86.636
bonds (distance) P-C4' energy: -104.000
flat angles C4'-P-C4' energy: -98.955
flat angles P-C4'-P energy: -61.996
tors. eta vs tors. theta energy: -120.860
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: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1544.669735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.669735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.669735 (E_RNA)
where:
Base-Base interactions energy: -1055.546
where: short stacking energy: -471.779
Base-Backbone interact. energy: -3.014
local terms energy: -486.109283
where:
bonds (distance) C4'-P energy: -85.224
bonds (distance) P-C4' energy: -91.865
flat angles C4'-P-C4' energy: -102.171
flat angles P-C4'-P energy: -74.469
tors. eta vs tors. theta energy: -132.381
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: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1472.596646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.596646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.596646 (E_RNA)
where:
Base-Base interactions energy: -1021.663
where: short stacking energy: -429.109
Base-Backbone interact. energy: -2.515
local terms energy: -448.419036
where:
bonds (distance) C4'-P energy: -83.227
bonds (distance) P-C4' energy: -90.532
flat angles C4'-P-C4' energy: -96.823
flat angles P-C4'-P energy: -56.018
tors. eta vs tors. theta energy: -121.819
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: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1380.889719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.889719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.889719 (E_RNA)
where:
Base-Base interactions energy: -953.564
where: short stacking energy: -437.165
Base-Backbone interact. energy: -1.029
local terms energy: -426.296405
where:
bonds (distance) C4'-P energy: -83.001
bonds (distance) P-C4' energy: -77.856
flat angles C4'-P-C4' energy: -89.185
flat angles P-C4'-P energy: -61.040
tors. eta vs tors. theta energy: -115.214
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: 438
Temperature: 1.100000
Total energy: -1228.568793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.568793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.568793 (E_RNA)
where:
Base-Base interactions energy: -821.366
where: short stacking energy: -361.592
Base-Backbone interact. energy: 0.352
local terms energy: -407.554654
where:
bonds (distance) C4'-P energy: -87.952
bonds (distance) P-C4' energy: -86.688
flat angles C4'-P-C4' energy: -86.898
flat angles P-C4'-P energy: -51.971
tors. eta vs tors. theta energy: -94.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1148.390681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.390681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.390681 (E_RNA)
where:
Base-Base interactions energy: -772.768
where: short stacking energy: -348.859
Base-Backbone interact. energy: -2.206
local terms energy: -373.416890
where:
bonds (distance) C4'-P energy: -75.704
bonds (distance) P-C4' energy: -70.397
flat angles C4'-P-C4' energy: -93.903
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: -85.938
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: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1123.196742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.196742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.196742 (E_RNA)
where:
Base-Base interactions energy: -724.867
where: short stacking energy: -317.342
Base-Backbone interact. energy: -1.291
local terms energy: -397.039044
where:
bonds (distance) C4'-P energy: -84.518
bonds (distance) P-C4' energy: -87.723
flat angles C4'-P-C4' energy: -88.909
flat angles P-C4'-P energy: -57.727
tors. eta vs tors. theta energy: -78.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -994.937691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.937691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.937691 (E_RNA)
where:
Base-Base interactions energy: -649.576
where: short stacking energy: -293.036
Base-Backbone interact. energy: -1.579
local terms energy: -343.782277
where:
bonds (distance) C4'-P energy: -81.402
bonds (distance) P-C4' energy: -83.919
flat angles C4'-P-C4' energy: -86.732
flat angles P-C4'-P energy: -37.434
tors. eta vs tors. theta energy: -54.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -834.215316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.215316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.215316 (E_RNA)
where:
Base-Base interactions energy: -524.147
where: short stacking energy: -233.440
Base-Backbone interact. energy: 0.123
local terms energy: -310.190708
where:
bonds (distance) C4'-P energy: -80.906
bonds (distance) P-C4' energy: -78.081
flat angles C4'-P-C4' energy: -79.659
flat angles P-C4'-P energy: -36.144
tors. eta vs tors. theta energy: -35.401
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: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -711.778582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.778582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.778582 (E_RNA)
where:
Base-Base interactions energy: -410.875
where: short stacking energy: -201.326
Base-Backbone interact. energy: -2.132
local terms energy: -298.771233
where:
bonds (distance) C4'-P energy: -78.573
bonds (distance) P-C4' energy: -81.428
flat angles C4'-P-C4' energy: -65.885
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -26.503
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: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1582.111611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.111611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.111611 (E_RNA)
where:
Base-Base interactions energy: -1099.120
where: short stacking energy: -455.791
Base-Backbone interact. energy: -2.681
local terms energy: -480.311143
where:
bonds (distance) C4'-P energy: -79.894
bonds (distance) P-C4' energy: -92.722
flat angles C4'-P-C4' energy: -103.612
flat angles P-C4'-P energy: -71.166
tors. eta vs tors. theta energy: -132.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1539.911838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.911838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.911838 (E_RNA)
where:
Base-Base interactions energy: -1066.919
where: short stacking energy: -456.994
Base-Backbone interact. energy: -3.812
local terms energy: -469.180927
where:
bonds (distance) C4'-P energy: -95.054
bonds (distance) P-C4' energy: -93.577
flat angles C4'-P-C4' energy: -89.047
flat angles P-C4'-P energy: -67.513
tors. eta vs tors. theta energy: -123.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1485.889781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.889781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.889781 (E_RNA)
where:
Base-Base interactions energy: -1017.633
where: short stacking energy: -422.028
Base-Backbone interact. energy: 0.757
local terms energy: -469.014224
where:
bonds (distance) C4'-P energy: -90.142
bonds (distance) P-C4' energy: -88.619
flat angles C4'-P-C4' energy: -100.804
flat angles P-C4'-P energy: -64.535
tors. eta vs tors. theta energy: -124.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1389.985604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.985604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.985604 (E_RNA)
where:
Base-Base interactions energy: -942.021
where: short stacking energy: -425.213
Base-Backbone interact. energy: -2.298
local terms energy: -445.666110
where:
bonds (distance) C4'-P energy: -83.650
bonds (distance) P-C4' energy: -86.759
flat angles C4'-P-C4' energy: -95.308
flat angles P-C4'-P energy: -70.495
tors. eta vs tors. theta energy: -109.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1239.803461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.803461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.803461 (E_RNA)
where:
Base-Base interactions energy: -822.224
where: short stacking energy: -354.927
Base-Backbone interact. energy: -1.659
local terms energy: -415.920466
where:
bonds (distance) C4'-P energy: -83.810
bonds (distance) P-C4' energy: -87.134
flat angles C4'-P-C4' energy: -91.359
flat angles P-C4'-P energy: -56.595
tors. eta vs tors. theta energy: -97.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1167.724079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.724079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.724079 (E_RNA)
where:
Base-Base interactions energy: -787.772
where: short stacking energy: -370.066
Base-Backbone interact. energy: -2.544
local terms energy: -377.407923
where:
bonds (distance) C4'-P energy: -65.605
bonds (distance) P-C4' energy: -80.757
flat angles C4'-P-C4' energy: -89.570
flat angles P-C4'-P energy: -47.015
tors. eta vs tors. theta energy: -94.460
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: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1101.258906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.258906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.258906 (E_RNA)
where:
Base-Base interactions energy: -741.176
where: short stacking energy: -312.095
Base-Backbone interact. energy: 2.817
local terms energy: -362.899563
where:
bonds (distance) C4'-P energy: -82.392
bonds (distance) P-C4' energy: -71.941
flat angles C4'-P-C4' energy: -77.429
flat angles P-C4'-P energy: -55.946
tors. eta vs tors. theta energy: -75.192
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: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -983.792829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.792829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.792829 (E_RNA)
where:
Base-Base interactions energy: -630.410
where: short stacking energy: -292.513
Base-Backbone interact. energy: -0.450
local terms energy: -352.933471
where:
bonds (distance) C4'-P energy: -78.751
bonds (distance) P-C4' energy: -66.820
flat angles C4'-P-C4' energy: -84.557
flat angles P-C4'-P energy: -59.932
tors. eta vs tors. theta energy: -62.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -805.518950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.518950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.518950 (E_RNA)
where:
Base-Base interactions energy: -508.880
where: short stacking energy: -231.800
Base-Backbone interact. energy: 5.386
local terms energy: -302.025349
where:
bonds (distance) C4'-P energy: -80.156
bonds (distance) P-C4' energy: -71.247
flat angles C4'-P-C4' energy: -64.256
flat angles P-C4'-P energy: -51.376
tors. eta vs tors. theta energy: -34.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -735.000580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.000580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.000580 (E_RNA)
where:
Base-Base interactions energy: -465.463
where: short stacking energy: -211.822
Base-Backbone interact. energy: 2.588
local terms energy: -272.125579
where:
bonds (distance) C4'-P energy: -74.499
bonds (distance) P-C4' energy: -78.374
flat angles C4'-P-C4' energy: -73.273
flat angles P-C4'-P energy: -39.382
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1549.243730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.243730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.243730 (E_RNA)
where:
Base-Base interactions energy: -1077.320
where: short stacking energy: -442.779
Base-Backbone interact. energy: -4.626
local terms energy: -467.298514
where:
bonds (distance) C4'-P energy: -83.995
bonds (distance) P-C4' energy: -97.755
flat angles C4'-P-C4' energy: -99.142
flat angles P-C4'-P energy: -64.769
tors. eta vs tors. theta energy: -121.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1534.883663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.883663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.883663 (E_RNA)
where:
Base-Base interactions energy: -1072.310
where: short stacking energy: -475.412
Base-Backbone interact. energy: -2.924
local terms energy: -459.649934
where:
bonds (distance) C4'-P energy: -86.426
bonds (distance) P-C4' energy: -87.138
flat angles C4'-P-C4' energy: -105.392
flat angles P-C4'-P energy: -51.330
tors. eta vs tors. theta energy: -129.365
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: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1496.716044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.716044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.716044 (E_RNA)
where:
Base-Base interactions energy: -1040.676
where: short stacking energy: -430.256
Base-Backbone interact. energy: -1.772
local terms energy: -454.267637
where:
bonds (distance) C4'-P energy: -89.734
bonds (distance) P-C4' energy: -84.966
flat angles C4'-P-C4' energy: -102.070
flat angles P-C4'-P energy: -58.775
tors. eta vs tors. theta energy: -118.722
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: 440
Temperature: 1.050000
Total energy: -1370.926688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.926688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.926688 (E_RNA)
where:
Base-Base interactions energy: -920.114
where: short stacking energy: -426.122
Base-Backbone interact. energy: -0.767
local terms energy: -450.045629
where:
bonds (distance) C4'-P energy: -79.277
bonds (distance) P-C4' energy: -95.947
flat angles C4'-P-C4' energy: -94.930
flat angles P-C4'-P energy: -53.816
tors. eta vs tors. theta energy: -126.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1261.180075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.180075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.180075 (E_RNA)
where:
Base-Base interactions energy: -855.726
where: short stacking energy: -380.395
Base-Backbone interact. energy: -1.415
local terms energy: -404.039033
where:
bonds (distance) C4'-P energy: -83.493
bonds (distance) P-C4' energy: -68.759
flat angles C4'-P-C4' energy: -102.137
flat angles P-C4'-P energy: -49.981
tors. eta vs tors. theta energy: -99.669
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: 440
Temperature: 1.150000
Total energy: -1126.707026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.707026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.707026 (E_RNA)
where:
Base-Base interactions energy: -765.382
where: short stacking energy: -332.720
Base-Backbone interact. energy: -1.952
local terms energy: -359.372573
where:
bonds (distance) C4'-P energy: -71.353
bonds (distance) P-C4' energy: -87.199
flat angles C4'-P-C4' energy: -89.636
flat angles P-C4'-P energy: -36.923
tors. eta vs tors. theta energy: -74.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1158.180536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.180536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.180536 (E_RNA)
where:
Base-Base interactions energy: -774.555
where: short stacking energy: -324.493
Base-Backbone interact. energy: -2.582
local terms energy: -381.042664
where:
bonds (distance) C4'-P energy: -73.746
bonds (distance) P-C4' energy: -82.363
flat angles C4'-P-C4' energy: -85.901
flat angles P-C4'-P energy: -54.112
tors. eta vs tors. theta energy: -84.921
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: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1024.515835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.515835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.515835 (E_RNA)
where:
Base-Base interactions energy: -677.331
where: short stacking energy: -300.484
Base-Backbone interact. energy: -1.964
local terms energy: -345.220834
where:
bonds (distance) C4'-P energy: -84.720
bonds (distance) P-C4' energy: -70.237
flat angles C4'-P-C4' energy: -92.225
flat angles P-C4'-P energy: -39.380
tors. eta vs tors. theta energy: -58.657
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: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -858.901354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.901354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.901354 (E_RNA)
where:
Base-Base interactions energy: -524.472
where: short stacking energy: -249.729
Base-Backbone interact. energy: 0.157
local terms energy: -334.586805
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -83.768
flat angles C4'-P-C4' energy: -70.166
flat angles P-C4'-P energy: -50.207
tors. eta vs tors. theta energy: -43.579
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: 440
Temperature: 1.350000
Total energy: -662.879538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.879538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.879538 (E_RNA)
where:
Base-Base interactions energy: -411.318
where: short stacking energy: -194.740
Base-Backbone interact. energy: 4.502
local terms energy: -256.064219
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -69.798
flat angles C4'-P-C4' energy: -62.712
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: -18.278
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: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1559.648268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.648268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.648268 (E_RNA)
where:
Base-Base interactions energy: -1090.875
where: short stacking energy: -462.981
Base-Backbone interact. energy: -1.484
local terms energy: -467.288994
where:
bonds (distance) C4'-P energy: -92.429
bonds (distance) P-C4' energy: -87.626
flat angles C4'-P-C4' energy: -92.596
flat angles P-C4'-P energy: -67.735
tors. eta vs tors. theta energy: -126.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1539.520439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.520439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.520439 (E_RNA)
where:
Base-Base interactions energy: -1073.299
where: short stacking energy: -452.957
Base-Backbone interact. energy: 0.381
local terms energy: -466.602887
where:
bonds (distance) C4'-P energy: -85.331
bonds (distance) P-C4' energy: -94.459
flat angles C4'-P-C4' energy: -99.572
flat angles P-C4'-P energy: -64.833
tors. eta vs tors. theta energy: -122.408
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: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1534.302140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.302140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.302140 (E_RNA)
where:
Base-Base interactions energy: -1072.855
where: short stacking energy: -463.460
Base-Backbone interact. energy: -2.719
local terms energy: -458.728345
where:
bonds (distance) C4'-P energy: -85.389
bonds (distance) P-C4' energy: -89.668
flat angles C4'-P-C4' energy: -90.194
flat angles P-C4'-P energy: -58.936
tors. eta vs tors. theta energy: -134.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1392.519531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.519531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.519531 (E_RNA)
where:
Base-Base interactions energy: -944.536
where: short stacking energy: -425.584
Base-Backbone interact. energy: -0.811
local terms energy: -447.172583
where:
bonds (distance) C4'-P energy: -83.944
bonds (distance) P-C4' energy: -79.537
flat angles C4'-P-C4' energy: -102.466
flat angles P-C4'-P energy: -64.145
tors. eta vs tors. theta energy: -117.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1256.470752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.470752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.470752 (E_RNA)
where:
Base-Base interactions energy: -847.117
where: short stacking energy: -374.877
Base-Backbone interact. energy: -2.142
local terms energy: -407.211822
where:
bonds (distance) C4'-P energy: -80.548
bonds (distance) P-C4' energy: -78.016
flat angles C4'-P-C4' energy: -87.277
flat angles P-C4'-P energy: -57.128
tors. eta vs tors. theta energy: -104.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1136.833027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.833027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.833027 (E_RNA)
where:
Base-Base interactions energy: -755.115
where: short stacking energy: -326.214
Base-Backbone interact. energy: 0.082
local terms energy: -381.800104
where:
bonds (distance) C4'-P energy: -84.941
bonds (distance) P-C4' energy: -83.784
flat angles C4'-P-C4' energy: -91.629
flat angles P-C4'-P energy: -53.923
tors. eta vs tors. theta energy: -67.523
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: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1156.071476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.071476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.071476 (E_RNA)
where:
Base-Base interactions energy: -787.320
where: short stacking energy: -350.430
Base-Backbone interact. energy: 1.715
local terms energy: -370.466107
where:
bonds (distance) C4'-P energy: -69.752
bonds (distance) P-C4' energy: -74.147
flat angles C4'-P-C4' energy: -95.020
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: -79.988
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: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -984.735474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.735474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.735474 (E_RNA)
where:
Base-Base interactions energy: -675.469
where: short stacking energy: -309.416
Base-Backbone interact. energy: -2.349
local terms energy: -306.917529
where:
bonds (distance) C4'-P energy: -68.328
bonds (distance) P-C4' energy: -67.779
flat angles C4'-P-C4' energy: -75.828
flat angles P-C4'-P energy: -40.725
tors. eta vs tors. theta energy: -54.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -872.392597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.392597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.392597 (E_RNA)
where:
Base-Base interactions energy: -560.340
where: short stacking energy: -261.917
Base-Backbone interact. energy: -2.581
local terms energy: -309.471489
where:
bonds (distance) C4'-P energy: -72.098
bonds (distance) P-C4' energy: -67.666
flat angles C4'-P-C4' energy: -76.319
flat angles P-C4'-P energy: -46.836
tors. eta vs tors. theta energy: -46.553
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: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -704.385598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.385598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.385598 (E_RNA)
where:
Base-Base interactions energy: -440.328
where: short stacking energy: -191.549
Base-Backbone interact. energy: -0.652
local terms energy: -263.405522
where:
bonds (distance) C4'-P energy: -77.644
bonds (distance) P-C4' energy: -70.462
flat angles C4'-P-C4' energy: -74.095
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: -8.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1571.029610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.029610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.029610 (E_RNA)
where:
Base-Base interactions energy: -1075.857
where: short stacking energy: -425.856
Base-Backbone interact. energy: -5.392
local terms energy: -489.780247
where:
bonds (distance) C4'-P energy: -99.449
bonds (distance) P-C4' energy: -81.291
flat angles C4'-P-C4' energy: -104.444
flat angles P-C4'-P energy: -72.335
tors. eta vs tors. theta energy: -132.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1525.669735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.669735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.669735 (E_RNA)
where:
Base-Base interactions energy: -1054.193
where: short stacking energy: -458.953
Base-Backbone interact. energy: -2.516
local terms energy: -468.960828
where:
bonds (distance) C4'-P energy: -84.812
bonds (distance) P-C4' energy: -92.636
flat angles C4'-P-C4' energy: -104.540
flat angles P-C4'-P energy: -60.403
tors. eta vs tors. theta energy: -126.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1497.182797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.182797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.182797 (E_RNA)
where:
Base-Base interactions energy: -1062.829
where: short stacking energy: -430.959
Base-Backbone interact. energy: -2.603
local terms energy: -431.750413
where:
bonds (distance) C4'-P energy: -78.629
bonds (distance) P-C4' energy: -81.794
flat angles C4'-P-C4' energy: -98.663
flat angles P-C4'-P energy: -56.988
tors. eta vs tors. theta energy: -115.676
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: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1374.070636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.070636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.070636 (E_RNA)
where:
Base-Base interactions energy: -942.098
where: short stacking energy: -410.263
Base-Backbone interact. energy: -0.254
local terms energy: -431.718953
where:
bonds (distance) C4'-P energy: -81.500
bonds (distance) P-C4' energy: -84.424
flat angles C4'-P-C4' energy: -96.961
flat angles P-C4'-P energy: -69.283
tors. eta vs tors. theta energy: -99.552
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: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1289.843301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.843301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.843301 (E_RNA)
where:
Base-Base interactions energy: -849.517
where: short stacking energy: -381.465
Base-Backbone interact. energy: 0.030
local terms energy: -440.355675
where:
bonds (distance) C4'-P energy: -74.980
bonds (distance) P-C4' energy: -91.150
flat angles C4'-P-C4' energy: -98.969
flat angles P-C4'-P energy: -55.157
tors. eta vs tors. theta energy: -120.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1123.418457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.418457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.418457 (E_RNA)
where:
Base-Base interactions energy: -780.651
where: short stacking energy: -345.015
Base-Backbone interact. energy: -3.506
local terms energy: -339.262006
where:
bonds (distance) C4'-P energy: -68.274
bonds (distance) P-C4' energy: -66.964
flat angles C4'-P-C4' energy: -78.696
flat angles P-C4'-P energy: -52.536
tors. eta vs tors. theta energy: -72.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1121.116519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.116519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.116519 (E_RNA)
where:
Base-Base interactions energy: -750.839
where: short stacking energy: -329.242
Base-Backbone interact. energy: 0.560
local terms energy: -370.838109
where:
bonds (distance) C4'-P energy: -83.648
bonds (distance) P-C4' energy: -74.934
flat angles C4'-P-C4' energy: -78.151
flat angles P-C4'-P energy: -56.017
tors. eta vs tors. theta energy: -78.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1010.191009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.191009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.191009 (E_RNA)
where:
Base-Base interactions energy: -677.229
where: short stacking energy: -295.469
Base-Backbone interact. energy: -2.697
local terms energy: -330.265485
where:
bonds (distance) C4'-P energy: -69.593
bonds (distance) P-C4' energy: -86.001
flat angles C4'-P-C4' energy: -69.895
flat angles P-C4'-P energy: -48.687
tors. eta vs tors. theta energy: -56.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -846.535163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.535163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.535163 (E_RNA)
where:
Base-Base interactions energy: -526.151
where: short stacking energy: -239.133
Base-Backbone interact. energy: 3.029
local terms energy: -323.413359
where:
bonds (distance) C4'-P energy: -80.100
bonds (distance) P-C4' energy: -85.370
flat angles C4'-P-C4' energy: -69.201
flat angles P-C4'-P energy: -54.527
tors. eta vs tors. theta energy: -34.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -751.170856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.170856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.170856 (E_RNA)
where:
Base-Base interactions energy: -505.075
where: short stacking energy: -213.803
Base-Backbone interact. energy: -1.191
local terms energy: -244.905242
where:
bonds (distance) C4'-P energy: -62.359
bonds (distance) P-C4' energy: -55.358
flat angles C4'-P-C4' energy: -64.512
flat angles P-C4'-P energy: -39.971
tors. eta vs tors. theta energy: -22.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1595.516192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.516192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.516192 (E_RNA)
where:
Base-Base interactions energy: -1098.047
where: short stacking energy: -473.106
Base-Backbone interact. energy: -4.812
local terms energy: -492.656979
where:
bonds (distance) C4'-P energy: -91.909
bonds (distance) P-C4' energy: -88.694
flat angles C4'-P-C4' energy: -109.682
flat angles P-C4'-P energy: -68.831
tors. eta vs tors. theta energy: -133.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1533.894758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.894758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.894758 (E_RNA)
where:
Base-Base interactions energy: -1082.584
where: short stacking energy: -461.847
Base-Backbone interact. energy: 0.482
local terms energy: -451.792362
where:
bonds (distance) C4'-P energy: -86.084
bonds (distance) P-C4' energy: -81.487
flat angles C4'-P-C4' energy: -101.375
flat angles P-C4'-P energy: -56.328
tors. eta vs tors. theta energy: -126.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1518.035032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.035032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.035032 (E_RNA)
where:
Base-Base interactions energy: -1069.011
where: short stacking energy: -460.060
Base-Backbone interact. energy: 1.695
local terms energy: -450.718656
where:
bonds (distance) C4'-P energy: -87.341
bonds (distance) P-C4' energy: -77.992
flat angles C4'-P-C4' energy: -95.488
flat angles P-C4'-P energy: -57.110
tors. eta vs tors. theta energy: -132.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1382.566777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.566777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.566777 (E_RNA)
where:
Base-Base interactions energy: -954.747
where: short stacking energy: -436.173
Base-Backbone interact. energy: -1.668
local terms energy: -426.150951
where:
bonds (distance) C4'-P energy: -82.207
bonds (distance) P-C4' energy: -81.607
flat angles C4'-P-C4' energy: -92.447
flat angles P-C4'-P energy: -58.957
tors. eta vs tors. theta energy: -110.934
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: 443
Temperature: 1.100000
Total energy: -1255.928460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.928460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.928460 (E_RNA)
where:
Base-Base interactions energy: -856.216
where: short stacking energy: -377.159
Base-Backbone interact. energy: 0.890
local terms energy: -400.602580
where:
bonds (distance) C4'-P energy: -77.832
bonds (distance) P-C4' energy: -84.908
flat angles C4'-P-C4' energy: -99.852
flat angles P-C4'-P energy: -49.588
tors. eta vs tors. theta energy: -88.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1156.119231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.119231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.119231 (E_RNA)
where:
Base-Base interactions energy: -790.757
where: short stacking energy: -351.751
Base-Backbone interact. energy: -0.718
local terms energy: -364.644200
where:
bonds (distance) C4'-P energy: -68.756
bonds (distance) P-C4' energy: -87.482
flat angles C4'-P-C4' energy: -82.637
flat angles P-C4'-P energy: -53.671
tors. eta vs tors. theta energy: -72.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1120.371355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.371355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.371355 (E_RNA)
where:
Base-Base interactions energy: -753.187
where: short stacking energy: -331.099
Base-Backbone interact. energy: -0.624
local terms energy: -366.561204
where:
bonds (distance) C4'-P energy: -73.095
bonds (distance) P-C4' energy: -72.753
flat angles C4'-P-C4' energy: -78.431
flat angles P-C4'-P energy: -57.761
tors. eta vs tors. theta energy: -84.521
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: 8, replica: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -927.538630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.538630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.538630 (E_RNA)
where:
Base-Base interactions energy: -590.256
where: short stacking energy: -278.072
Base-Backbone interact. energy: -0.387
local terms energy: -336.896304
where:
bonds (distance) C4'-P energy: -71.640
bonds (distance) P-C4' energy: -87.029
flat angles C4'-P-C4' energy: -77.836
flat angles P-C4'-P energy: -52.221
tors. eta vs tors. theta energy: -48.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -848.340435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.340435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.340435 (E_RNA)
where:
Base-Base interactions energy: -555.490
where: short stacking energy: -253.397
Base-Backbone interact. energy: 0.842
local terms energy: -293.691942
where:
bonds (distance) C4'-P energy: -58.682
bonds (distance) P-C4' energy: -67.808
flat angles C4'-P-C4' energy: -77.153
flat angles P-C4'-P energy: -40.512
tors. eta vs tors. theta energy: -49.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -719.432827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.432827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.432827 (E_RNA)
where:
Base-Base interactions energy: -441.940
where: short stacking energy: -198.448
Base-Backbone interact. energy: -0.923
local terms energy: -276.569264
where:
bonds (distance) C4'-P energy: -77.988
bonds (distance) P-C4' energy: -77.861
flat angles C4'-P-C4' energy: -84.702
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1609.703690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.703690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.703690 (E_RNA)
where:
Base-Base interactions energy: -1108.873
where: short stacking energy: -480.884
Base-Backbone interact. energy: -4.916
local terms energy: -495.914471
where:
bonds (distance) C4'-P energy: -82.661
bonds (distance) P-C4' energy: -95.937
flat angles C4'-P-C4' energy: -111.844
flat angles P-C4'-P energy: -76.343
tors. eta vs tors. theta energy: -129.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1524.454058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.454058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.454058 (E_RNA)
where:
Base-Base interactions energy: -1078.651
where: short stacking energy: -453.110
Base-Backbone interact. energy: 2.242
local terms energy: -448.045009
where:
bonds (distance) C4'-P energy: -82.456
bonds (distance) P-C4' energy: -85.257
flat angles C4'-P-C4' energy: -101.266
flat angles P-C4'-P energy: -55.528
tors. eta vs tors. theta energy: -123.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1500.928506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.928506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.928506 (E_RNA)
where:
Base-Base interactions energy: -1039.335
where: short stacking energy: -462.450
Base-Backbone interact. energy: -4.072
local terms energy: -457.521717
where:
bonds (distance) C4'-P energy: -73.455
bonds (distance) P-C4' energy: -90.244
flat angles C4'-P-C4' energy: -100.969
flat angles P-C4'-P energy: -59.310
tors. eta vs tors. theta energy: -133.543
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: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1400.788985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.788985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.788985 (E_RNA)
where:
Base-Base interactions energy: -968.468
where: short stacking energy: -415.680
Base-Backbone interact. energy: -1.767
local terms energy: -430.553402
where:
bonds (distance) C4'-P energy: -88.238
bonds (distance) P-C4' energy: -86.729
flat angles C4'-P-C4' energy: -88.843
flat angles P-C4'-P energy: -61.705
tors. eta vs tors. theta energy: -105.038
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: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1257.239402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.239402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.239402 (E_RNA)
where:
Base-Base interactions energy: -834.960
where: short stacking energy: -352.643
Base-Backbone interact. energy: -2.072
local terms energy: -420.207633
where:
bonds (distance) C4'-P energy: -89.556
bonds (distance) P-C4' energy: -96.996
flat angles C4'-P-C4' energy: -92.499
flat angles P-C4'-P energy: -54.807
tors. eta vs tors. theta energy: -86.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1172.985866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.985866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.985866 (E_RNA)
where:
Base-Base interactions energy: -788.631
where: short stacking energy: -369.716
Base-Backbone interact. energy: -1.893
local terms energy: -382.461607
where:
bonds (distance) C4'-P energy: -69.640
bonds (distance) P-C4' energy: -78.511
flat angles C4'-P-C4' energy: -94.389
flat angles P-C4'-P energy: -60.002
tors. eta vs tors. theta energy: -79.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1110.137232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.137232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.137232 (E_RNA)
where:
Base-Base interactions energy: -727.668
where: short stacking energy: -341.684
Base-Backbone interact. energy: 0.847
local terms energy: -383.316599
where:
bonds (distance) C4'-P energy: -80.510
bonds (distance) P-C4' energy: -83.551
flat angles C4'-P-C4' energy: -92.160
flat angles P-C4'-P energy: -45.558
tors. eta vs tors. theta energy: -81.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -971.983041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.983041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.983041 (E_RNA)
where:
Base-Base interactions energy: -650.025
where: short stacking energy: -272.116
Base-Backbone interact. energy: 1.059
local terms energy: -323.016810
where:
bonds (distance) C4'-P energy: -77.190
bonds (distance) P-C4' energy: -90.071
flat angles C4'-P-C4' energy: -72.772
flat angles P-C4'-P energy: -41.959
tors. eta vs tors. theta energy: -41.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -873.211926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.211926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.211926 (E_RNA)
where:
Base-Base interactions energy: -570.310
where: short stacking energy: -264.803
Base-Backbone interact. energy: -1.439
local terms energy: -301.462489
where:
bonds (distance) C4'-P energy: -79.312
bonds (distance) P-C4' energy: -69.297
flat angles C4'-P-C4' energy: -76.831
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: -48.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -714.484399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.484399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.484399 (E_RNA)
where:
Base-Base interactions energy: -427.478
where: short stacking energy: -199.230
Base-Backbone interact. energy: 3.152
local terms energy: -290.158951
where:
bonds (distance) C4'-P energy: -76.532
bonds (distance) P-C4' energy: -82.148
flat angles C4'-P-C4' energy: -67.480
flat angles P-C4'-P energy: -39.430
tors. eta vs tors. theta energy: -24.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1577.769750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.769750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.769750 (E_RNA)
where:
Base-Base interactions energy: -1101.419
where: short stacking energy: -438.961
Base-Backbone interact. energy: -2.917
local terms energy: -473.433532
where:
bonds (distance) C4'-P energy: -82.734
bonds (distance) P-C4' energy: -101.286
flat angles C4'-P-C4' energy: -103.678
flat angles P-C4'-P energy: -62.164
tors. eta vs tors. theta energy: -123.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1539.214471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.214471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.214471 (E_RNA)
where:
Base-Base interactions energy: -1082.563
where: short stacking energy: -445.995
Base-Backbone interact. energy: -1.958
local terms energy: -454.693499
where:
bonds (distance) C4'-P energy: -72.689
bonds (distance) P-C4' energy: -92.917
flat angles C4'-P-C4' energy: -102.008
flat angles P-C4'-P energy: -64.174
tors. eta vs tors. theta energy: -122.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1511.407776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.407776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.407776 (E_RNA)
where:
Base-Base interactions energy: -1074.042
where: short stacking energy: -465.319
Base-Backbone interact. energy: -1.353
local terms energy: -436.012052
where:
bonds (distance) C4'-P energy: -63.054
bonds (distance) P-C4' energy: -85.890
flat angles C4'-P-C4' energy: -92.633
flat angles P-C4'-P energy: -65.613
tors. eta vs tors. theta energy: -128.822
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: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1383.022314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.022314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.022314 (E_RNA)
where:
Base-Base interactions energy: -940.643
where: short stacking energy: -405.353
Base-Backbone interact. energy: 0.650
local terms energy: -443.030110
where:
bonds (distance) C4'-P energy: -93.049
bonds (distance) P-C4' energy: -86.931
flat angles C4'-P-C4' energy: -81.935
flat angles P-C4'-P energy: -60.750
tors. eta vs tors. theta energy: -120.365
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: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1313.696107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.696107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.696107 (E_RNA)
where:
Base-Base interactions energy: -881.831
where: short stacking energy: -397.719
Base-Backbone interact. energy: -1.713
local terms energy: -430.151655
where:
bonds (distance) C4'-P energy: -70.479
bonds (distance) P-C4' energy: -85.438
flat angles C4'-P-C4' energy: -100.056
flat angles P-C4'-P energy: -68.507
tors. eta vs tors. theta energy: -105.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1156.442745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.442745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.442745 (E_RNA)
where:
Base-Base interactions energy: -778.692
where: short stacking energy: -344.497
Base-Backbone interact. energy: 1.633
local terms energy: -379.383028
where:
bonds (distance) C4'-P energy: -85.247
bonds (distance) P-C4' energy: -82.028
flat angles C4'-P-C4' energy: -91.946
flat angles P-C4'-P energy: -47.385
tors. eta vs tors. theta energy: -72.777
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: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1141.522167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.522167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.522167 (E_RNA)
where:
Base-Base interactions energy: -759.884
where: short stacking energy: -351.185
Base-Backbone interact. energy: -2.026
local terms energy: -379.612927
where:
bonds (distance) C4'-P energy: -82.807
bonds (distance) P-C4' energy: -82.968
flat angles C4'-P-C4' energy: -75.996
flat angles P-C4'-P energy: -54.960
tors. eta vs tors. theta energy: -82.881
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: 2
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -971.630486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.630486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.630486 (E_RNA)
where:
Base-Base interactions energy: -648.004
where: short stacking energy: -292.715
Base-Backbone interact. energy: 0.284
local terms energy: -323.910431
where:
bonds (distance) C4'-P energy: -79.652
bonds (distance) P-C4' energy: -79.523
flat angles C4'-P-C4' energy: -70.621
flat angles P-C4'-P energy: -33.752
tors. eta vs tors. theta energy: -60.362
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: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -855.996125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.996125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.996125 (E_RNA)
where:
Base-Base interactions energy: -548.970
where: short stacking energy: -232.722
Base-Backbone interact. energy: -0.562
local terms energy: -306.464334
where:
bonds (distance) C4'-P energy: -81.267
bonds (distance) P-C4' energy: -81.952
flat angles C4'-P-C4' energy: -64.667
flat angles P-C4'-P energy: -40.292
tors. eta vs tors. theta energy: -38.286
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: 445
Temperature: 1.350000
Total energy: -679.529726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.529726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.529726 (E_RNA)
where:
Base-Base interactions energy: -395.960
where: short stacking energy: -183.980
Base-Backbone interact. energy: 4.557
local terms energy: -288.126457
where:
bonds (distance) C4'-P energy: -77.289
bonds (distance) P-C4' energy: -83.451
flat angles C4'-P-C4' energy: -68.544
flat angles P-C4'-P energy: -41.508
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1583.934933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.934933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.934933 (E_RNA)
where:
Base-Base interactions energy: -1082.502
where: short stacking energy: -460.546
Base-Backbone interact. energy: -3.248
local terms energy: -498.183985
where:
bonds (distance) C4'-P energy: -96.713
bonds (distance) P-C4' energy: -93.665
flat angles C4'-P-C4' energy: -102.066
flat angles P-C4'-P energy: -68.325
tors. eta vs tors. theta energy: -137.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1538.374553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.374553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.374553 (E_RNA)
where:
Base-Base interactions energy: -1079.269
where: short stacking energy: -439.663
Base-Backbone interact. energy: 1.235
local terms energy: -460.340966
where:
bonds (distance) C4'-P energy: -82.178
bonds (distance) P-C4' energy: -89.239
flat angles C4'-P-C4' energy: -106.110
flat angles P-C4'-P energy: -65.191
tors. eta vs tors. theta energy: -117.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1497.867397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.867397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.867397 (E_RNA)
where:
Base-Base interactions energy: -1042.149
where: short stacking energy: -441.164
Base-Backbone interact. energy: -2.689
local terms energy: -453.029235
where:
bonds (distance) C4'-P energy: -75.721
bonds (distance) P-C4' energy: -84.634
flat angles C4'-P-C4' energy: -108.715
flat angles P-C4'-P energy: -61.305
tors. eta vs tors. theta energy: -122.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1365.397012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.397012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.397012 (E_RNA)
where:
Base-Base interactions energy: -938.729
where: short stacking energy: -408.162
Base-Backbone interact. energy: -2.119
local terms energy: -424.548304
where:
bonds (distance) C4'-P energy: -88.285
bonds (distance) P-C4' energy: -81.543
flat angles C4'-P-C4' energy: -95.947
flat angles P-C4'-P energy: -54.120
tors. eta vs tors. theta energy: -104.654
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: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1231.000880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.000880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.000880 (E_RNA)
where:
Base-Base interactions energy: -848.636
where: short stacking energy: -372.142
Base-Backbone interact. energy: -2.495
local terms energy: -379.870843
where:
bonds (distance) C4'-P energy: -75.813
bonds (distance) P-C4' energy: -76.520
flat angles C4'-P-C4' energy: -90.109
flat angles P-C4'-P energy: -49.251
tors. eta vs tors. theta energy: -88.176
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: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1177.550235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.550235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.550235 (E_RNA)
where:
Base-Base interactions energy: -814.622
where: short stacking energy: -361.207
Base-Backbone interact. energy: -0.845
local terms energy: -362.083146
where:
bonds (distance) C4'-P energy: -80.342
bonds (distance) P-C4' energy: -71.084
flat angles C4'-P-C4' energy: -84.647
flat angles P-C4'-P energy: -51.275
tors. eta vs tors. theta energy: -74.734
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: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1097.984835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.984835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.984835 (E_RNA)
where:
Base-Base interactions energy: -724.771
where: short stacking energy: -315.276
Base-Backbone interact. energy: 1.188
local terms energy: -374.402231
where:
bonds (distance) C4'-P energy: -82.271
bonds (distance) P-C4' energy: -75.089
flat angles C4'-P-C4' energy: -87.507
flat angles P-C4'-P energy: -54.655
tors. eta vs tors. theta energy: -74.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -949.214660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.214660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.214660 (E_RNA)
where:
Base-Base interactions energy: -624.279
where: short stacking energy: -279.538
Base-Backbone interact. energy: 1.175
local terms energy: -326.110935
where:
bonds (distance) C4'-P energy: -71.775
bonds (distance) P-C4' energy: -77.404
flat angles C4'-P-C4' energy: -66.808
flat angles P-C4'-P energy: -51.597
tors. eta vs tors. theta energy: -58.527
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: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -851.503079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.503079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.503079 (E_RNA)
where:
Base-Base interactions energy: -532.422
where: short stacking energy: -237.507
Base-Backbone interact. energy: 3.265
local terms energy: -322.345977
where:
bonds (distance) C4'-P energy: -75.105
bonds (distance) P-C4' energy: -83.979
flat angles C4'-P-C4' energy: -77.175
flat angles P-C4'-P energy: -48.421
tors. eta vs tors. theta energy: -37.666
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: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -635.574586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.574586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.574586 (E_RNA)
where:
Base-Base interactions energy: -362.298
where: short stacking energy: -178.744
Base-Backbone interact. energy: -0.030
local terms energy: -273.246750
where:
bonds (distance) C4'-P energy: -76.749
bonds (distance) P-C4' energy: -73.381
flat angles C4'-P-C4' energy: -75.765
flat angles P-C4'-P energy: -40.712
tors. eta vs tors. theta energy: -6.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1589.490687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.490687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.490687 (E_RNA)
where:
Base-Base interactions energy: -1103.707
where: short stacking energy: -480.458
Base-Backbone interact. energy: -3.365
local terms energy: -482.418794
where:
bonds (distance) C4'-P energy: -88.107
bonds (distance) P-C4' energy: -93.840
flat angles C4'-P-C4' energy: -102.358
flat angles P-C4'-P energy: -62.168
tors. eta vs tors. theta energy: -135.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1553.402445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.402445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.402445 (E_RNA)
where:
Base-Base interactions energy: -1072.568
where: short stacking energy: -448.456
Base-Backbone interact. energy: -1.443
local terms energy: -479.391919
where:
bonds (distance) C4'-P energy: -80.647
bonds (distance) P-C4' energy: -96.802
flat angles C4'-P-C4' energy: -111.837
flat angles P-C4'-P energy: -64.458
tors. eta vs tors. theta energy: -125.648
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: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1509.651011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.651011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.651011 (E_RNA)
where:
Base-Base interactions energy: -1052.931
where: short stacking energy: -453.940
Base-Backbone interact. energy: -4.699
local terms energy: -452.020558
where:
bonds (distance) C4'-P energy: -77.895
bonds (distance) P-C4' energy: -94.740
flat angles C4'-P-C4' energy: -98.503
flat angles P-C4'-P energy: -61.183
tors. eta vs tors. theta energy: -119.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1373.101601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.101601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.101601 (E_RNA)
where:
Base-Base interactions energy: -950.190
where: short stacking energy: -420.228
Base-Backbone interact. energy: 3.790
local terms energy: -426.700865
where:
bonds (distance) C4'-P energy: -72.979
bonds (distance) P-C4' energy: -81.696
flat angles C4'-P-C4' energy: -102.023
flat angles P-C4'-P energy: -52.433
tors. eta vs tors. theta energy: -117.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1230.035743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.035743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.035743 (E_RNA)
where:
Base-Base interactions energy: -802.688
where: short stacking energy: -347.324
Base-Backbone interact. energy: -1.141
local terms energy: -426.206673
where:
bonds (distance) C4'-P energy: -87.485
bonds (distance) P-C4' energy: -93.348
flat angles C4'-P-C4' energy: -96.776
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -101.630
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: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1156.304548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.304548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.304548 (E_RNA)
where:
Base-Base interactions energy: -782.433
where: short stacking energy: -376.154
Base-Backbone interact. energy: -0.813
local terms energy: -373.058539
where:
bonds (distance) C4'-P energy: -86.888
bonds (distance) P-C4' energy: -66.684
flat angles C4'-P-C4' energy: -92.212
flat angles P-C4'-P energy: -47.131
tors. eta vs tors. theta energy: -80.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1115.512482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.512482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.512482 (E_RNA)
where:
Base-Base interactions energy: -766.182
where: short stacking energy: -342.273
Base-Backbone interact. energy: -0.132
local terms energy: -349.197854
where:
bonds (distance) C4'-P energy: -67.121
bonds (distance) P-C4' energy: -76.430
flat angles C4'-P-C4' energy: -88.563
flat angles P-C4'-P energy: -32.522
tors. eta vs tors. theta energy: -84.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1006.820981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.820981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.820981 (E_RNA)
where:
Base-Base interactions energy: -639.339
where: short stacking energy: -285.493
Base-Backbone interact. energy: 0.172
local terms energy: -367.653542
where:
bonds (distance) C4'-P energy: -81.479
bonds (distance) P-C4' energy: -88.893
flat angles C4'-P-C4' energy: -98.500
flat angles P-C4'-P energy: -55.009
tors. eta vs tors. theta energy: -43.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -886.821449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.821449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.821449 (E_RNA)
where:
Base-Base interactions energy: -572.544
where: short stacking energy: -252.121
Base-Backbone interact. energy: -0.455
local terms energy: -313.822003
where:
bonds (distance) C4'-P energy: -78.086
bonds (distance) P-C4' energy: -69.984
flat angles C4'-P-C4' energy: -81.723
flat angles P-C4'-P energy: -43.421
tors. eta vs tors. theta energy: -40.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -625.068135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.068135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.068135 (E_RNA)
where:
Base-Base interactions energy: -382.195
where: short stacking energy: -179.351
Base-Backbone interact. energy: -2.772
local terms energy: -240.100611
where:
bonds (distance) C4'-P energy: -67.315
bonds (distance) P-C4' energy: -59.775
flat angles C4'-P-C4' energy: -63.510
flat angles P-C4'-P energy: -39.853
tors. eta vs tors. theta energy: -9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1569.120876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.120876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.120876 (E_RNA)
where:
Base-Base interactions energy: -1092.456
where: short stacking energy: -463.577
Base-Backbone interact. energy: -3.541
local terms energy: -473.124480
where:
bonds (distance) C4'-P energy: -82.704
bonds (distance) P-C4' energy: -97.202
flat angles C4'-P-C4' energy: -101.856
flat angles P-C4'-P energy: -61.310
tors. eta vs tors. theta energy: -130.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1553.504298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.504298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.504298 (E_RNA)
where:
Base-Base interactions energy: -1069.803
where: short stacking energy: -460.752
Base-Backbone interact. energy: -1.709
local terms energy: -481.992543
where:
bonds (distance) C4'-P energy: -95.195
bonds (distance) P-C4' energy: -87.040
flat angles C4'-P-C4' energy: -105.171
flat angles P-C4'-P energy: -67.456
tors. eta vs tors. theta energy: -127.131
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: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1524.476603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.476603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.476603 (E_RNA)
where:
Base-Base interactions energy: -1071.997
where: short stacking energy: -441.071
Base-Backbone interact. energy: -1.630
local terms energy: -450.849347
where:
bonds (distance) C4'-P energy: -78.531
bonds (distance) P-C4' energy: -90.656
flat angles C4'-P-C4' energy: -104.083
flat angles P-C4'-P energy: -54.111
tors. eta vs tors. theta energy: -123.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1413.812253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.812253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.812253 (E_RNA)
where:
Base-Base interactions energy: -966.974
where: short stacking energy: -442.216
Base-Backbone interact. energy: -2.463
local terms energy: -444.374879
where:
bonds (distance) C4'-P energy: -87.878
bonds (distance) P-C4' energy: -82.825
flat angles C4'-P-C4' energy: -100.910
flat angles P-C4'-P energy: -57.709
tors. eta vs tors. theta energy: -115.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1227.767457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.767457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.767457 (E_RNA)
where:
Base-Base interactions energy: -812.384
where: short stacking energy: -379.561
Base-Backbone interact. energy: -2.304
local terms energy: -413.079021
where:
bonds (distance) C4'-P energy: -81.588
bonds (distance) P-C4' energy: -89.898
flat angles C4'-P-C4' energy: -90.136
flat angles P-C4'-P energy: -58.564
tors. eta vs tors. theta energy: -92.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1177.467363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.467363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.467363 (E_RNA)
where:
Base-Base interactions energy: -785.697
where: short stacking energy: -360.987
Base-Backbone interact. energy: -1.087
local terms energy: -390.683123
where:
bonds (distance) C4'-P energy: -87.390
bonds (distance) P-C4' energy: -75.447
flat angles C4'-P-C4' energy: -83.280
flat angles P-C4'-P energy: -51.459
tors. eta vs tors. theta energy: -93.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1086.363657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.363657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.363657 (E_RNA)
where:
Base-Base interactions energy: -713.777
where: short stacking energy: -325.567
Base-Backbone interact. energy: 2.477
local terms energy: -375.064235
where:
bonds (distance) C4'-P energy: -80.605
bonds (distance) P-C4' energy: -84.172
flat angles C4'-P-C4' energy: -82.769
flat angles P-C4'-P energy: -49.314
tors. eta vs tors. theta energy: -78.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -965.962622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.962622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.962622 (E_RNA)
where:
Base-Base interactions energy: -661.091
where: short stacking energy: -290.007
Base-Backbone interact. energy: -1.325
local terms energy: -303.546289
where:
bonds (distance) C4'-P energy: -58.634
bonds (distance) P-C4' energy: -76.502
flat angles C4'-P-C4' energy: -68.307
flat angles P-C4'-P energy: -49.877
tors. eta vs tors. theta energy: -50.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -900.915600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.915600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.915600 (E_RNA)
where:
Base-Base interactions energy: -582.770
where: short stacking energy: -272.173
Base-Backbone interact. energy: 1.907
local terms energy: -320.053457
where:
bonds (distance) C4'-P energy: -75.886
bonds (distance) P-C4' energy: -77.925
flat angles C4'-P-C4' energy: -72.599
flat angles P-C4'-P energy: -41.688
tors. eta vs tors. theta energy: -51.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -640.257120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.257120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.257120 (E_RNA)
where:
Base-Base interactions energy: -362.448
where: short stacking energy: -187.854
Base-Backbone interact. energy: -1.168
local terms energy: -276.641126
where:
bonds (distance) C4'-P energy: -86.962
bonds (distance) P-C4' energy: -76.969
flat angles C4'-P-C4' energy: -70.138
flat angles P-C4'-P energy: -31.510
tors. eta vs tors. theta energy: -11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1592.618854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.618854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.618854 (E_RNA)
where:
Base-Base interactions energy: -1117.915
where: short stacking energy: -490.557
Base-Backbone interact. energy: -3.099
local terms energy: -471.604316
where:
bonds (distance) C4'-P energy: -77.890
bonds (distance) P-C4' energy: -95.871
flat angles C4'-P-C4' energy: -104.224
flat angles P-C4'-P energy: -63.617
tors. eta vs tors. theta energy: -130.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1542.276768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.276768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.276768 (E_RNA)
where:
Base-Base interactions energy: -1084.657
where: short stacking energy: -461.634
Base-Backbone interact. energy: -2.618
local terms energy: -455.001753
where:
bonds (distance) C4'-P energy: -82.694
bonds (distance) P-C4' energy: -88.680
flat angles C4'-P-C4' energy: -98.071
flat angles P-C4'-P energy: -63.021
tors. eta vs tors. theta energy: -122.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1495.259377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.259377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.259377 (E_RNA)
where:
Base-Base interactions energy: -1049.795
where: short stacking energy: -455.275
Base-Backbone interact. energy: -0.443
local terms energy: -445.021841
where:
bonds (distance) C4'-P energy: -74.904
bonds (distance) P-C4' energy: -84.286
flat angles C4'-P-C4' energy: -94.007
flat angles P-C4'-P energy: -65.575
tors. eta vs tors. theta energy: -126.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1416.618104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.618104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.618104 (E_RNA)
where:
Base-Base interactions energy: -963.299
where: short stacking energy: -417.320
Base-Backbone interact. energy: -2.794
local terms energy: -450.525478
where:
bonds (distance) C4'-P energy: -91.534
bonds (distance) P-C4' energy: -78.131
flat angles C4'-P-C4' energy: -103.911
flat angles P-C4'-P energy: -61.699
tors. eta vs tors. theta energy: -115.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1259.264970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.264970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.264970 (E_RNA)
where:
Base-Base interactions energy: -824.555
where: short stacking energy: -373.811
Base-Backbone interact. energy: -0.608
local terms energy: -434.102196
where:
bonds (distance) C4'-P energy: -83.921
bonds (distance) P-C4' energy: -94.804
flat angles C4'-P-C4' energy: -96.433
flat angles P-C4'-P energy: -54.974
tors. eta vs tors. theta energy: -103.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1152.097971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.097971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.097971 (E_RNA)
where:
Base-Base interactions energy: -754.240
where: short stacking energy: -346.409
Base-Backbone interact. energy: -1.076
local terms energy: -396.782012
where:
bonds (distance) C4'-P energy: -88.280
bonds (distance) P-C4' energy: -86.408
flat angles C4'-P-C4' energy: -86.393
flat angles P-C4'-P energy: -57.898
tors. eta vs tors. theta energy: -77.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1081.099241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.099241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.099241 (E_RNA)
where:
Base-Base interactions energy: -746.606
where: short stacking energy: -341.045
Base-Backbone interact. energy: -0.968
local terms energy: -333.524520
where:
bonds (distance) C4'-P energy: -71.514
bonds (distance) P-C4' energy: -80.205
flat angles C4'-P-C4' energy: -77.515
flat angles P-C4'-P energy: -47.042
tors. eta vs tors. theta energy: -57.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -991.904984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.904984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.904984 (E_RNA)
where:
Base-Base interactions energy: -663.490
where: short stacking energy: -303.504
Base-Backbone interact. energy: -1.401
local terms energy: -327.014301
where:
bonds (distance) C4'-P energy: -63.271
bonds (distance) P-C4' energy: -73.870
flat angles C4'-P-C4' energy: -79.275
flat angles P-C4'-P energy: -54.619
tors. eta vs tors. theta energy: -55.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -899.034112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.034112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.034112 (E_RNA)
where:
Base-Base interactions energy: -579.399
where: short stacking energy: -257.828
Base-Backbone interact. energy: 5.887
local terms energy: -325.522245
where:
bonds (distance) C4'-P energy: -65.592
bonds (distance) P-C4' energy: -81.484
flat angles C4'-P-C4' energy: -86.719
flat angles P-C4'-P energy: -45.366
tors. eta vs tors. theta energy: -46.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -610.493811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.493811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.493811 (E_RNA)
where:
Base-Base interactions energy: -346.379
where: short stacking energy: -158.716
Base-Backbone interact. energy: 0.475
local terms energy: -264.590044
where:
bonds (distance) C4'-P energy: -63.041
bonds (distance) P-C4' energy: -69.913
flat angles C4'-P-C4' energy: -75.895
flat angles P-C4'-P energy: -38.406
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1589.289225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.289225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.289225 (E_RNA)
where:
Base-Base interactions energy: -1104.134
where: short stacking energy: -458.314
Base-Backbone interact. energy: -2.003
local terms energy: -483.152523
where:
bonds (distance) C4'-P energy: -91.095
bonds (distance) P-C4' energy: -99.004
flat angles C4'-P-C4' energy: -98.564
flat angles P-C4'-P energy: -67.344
tors. eta vs tors. theta energy: -127.147
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: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1548.618033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.618033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.618033 (E_RNA)
where:
Base-Base interactions energy: -1092.440
where: short stacking energy: -458.350
Base-Backbone interact. energy: -2.726
local terms energy: -453.452493
where:
bonds (distance) C4'-P energy: -80.881
bonds (distance) P-C4' energy: -84.623
flat angles C4'-P-C4' energy: -98.831
flat angles P-C4'-P energy: -62.446
tors. eta vs tors. theta energy: -126.671
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: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1499.684822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.684822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.684822 (E_RNA)
where:
Base-Base interactions energy: -1036.956
where: short stacking energy: -446.770
Base-Backbone interact. energy: -1.982
local terms energy: -460.746045
where:
bonds (distance) C4'-P energy: -89.895
bonds (distance) P-C4' energy: -89.103
flat angles C4'-P-C4' energy: -90.955
flat angles P-C4'-P energy: -65.008
tors. eta vs tors. theta energy: -125.784
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: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1379.137421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.137421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.137421 (E_RNA)
where:
Base-Base interactions energy: -939.922
where: short stacking energy: -423.421
Base-Backbone interact. energy: -1.503
local terms energy: -437.712812
where:
bonds (distance) C4'-P energy: -86.223
bonds (distance) P-C4' energy: -74.544
flat angles C4'-P-C4' energy: -96.528
flat angles P-C4'-P energy: -61.628
tors. eta vs tors. theta energy: -118.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1252.463903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.463903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.463903 (E_RNA)
where:
Base-Base interactions energy: -826.043
where: short stacking energy: -379.413
Base-Backbone interact. energy: -2.038
local terms energy: -424.383458
where:
bonds (distance) C4'-P energy: -75.044
bonds (distance) P-C4' energy: -92.843
flat angles C4'-P-C4' energy: -98.981
flat angles P-C4'-P energy: -60.445
tors. eta vs tors. theta energy: -97.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1202.231683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.231683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.231683 (E_RNA)
where:
Base-Base interactions energy: -805.862
where: short stacking energy: -338.391
Base-Backbone interact. energy: -0.045
local terms energy: -396.324720
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -80.853
flat angles C4'-P-C4' energy: -97.352
flat angles P-C4'-P energy: -60.882
tors. eta vs tors. theta energy: -85.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1104.312208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.312208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.312208 (E_RNA)
where:
Base-Base interactions energy: -714.122
where: short stacking energy: -342.215
Base-Backbone interact. energy: -1.534
local terms energy: -388.656232
where:
bonds (distance) C4'-P energy: -68.085
bonds (distance) P-C4' energy: -87.807
flat angles C4'-P-C4' energy: -85.163
flat angles P-C4'-P energy: -61.824
tors. eta vs tors. theta energy: -85.777
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: 2
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1003.445808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.445808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.445808 (E_RNA)
where:
Base-Base interactions energy: -656.865
where: short stacking energy: -311.756
Base-Backbone interact. energy: 2.780
local terms energy: -349.360035
where:
bonds (distance) C4'-P energy: -65.877
bonds (distance) P-C4' energy: -90.292
flat angles C4'-P-C4' energy: -85.547
flat angles P-C4'-P energy: -47.614
tors. eta vs tors. theta energy: -60.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -850.803540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.803540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.803540 (E_RNA)
where:
Base-Base interactions energy: -550.265
where: short stacking energy: -245.386
Base-Backbone interact. energy: -2.002
local terms energy: -298.536123
where:
bonds (distance) C4'-P energy: -59.654
bonds (distance) P-C4' energy: -82.950
flat angles C4'-P-C4' energy: -75.215
flat angles P-C4'-P energy: -44.705
tors. eta vs tors. theta energy: -36.012
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: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -593.324025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.324025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.324025 (E_RNA)
where:
Base-Base interactions energy: -346.854
where: short stacking energy: -191.080
Base-Backbone interact. energy: -2.585
local terms energy: -243.885054
where:
bonds (distance) C4'-P energy: -70.747
bonds (distance) P-C4' energy: -67.056
flat angles C4'-P-C4' energy: -77.991
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1573.681901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.681901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.681901 (E_RNA)
where:
Base-Base interactions energy: -1105.025
where: short stacking energy: -471.474
Base-Backbone interact. energy: -3.701
local terms energy: -464.955936
where:
bonds (distance) C4'-P energy: -95.550
bonds (distance) P-C4' energy: -96.715
flat angles C4'-P-C4' energy: -96.270
flat angles P-C4'-P energy: -58.216
tors. eta vs tors. theta energy: -118.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1550.792000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.792000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.792000 (E_RNA)
where:
Base-Base interactions energy: -1073.976
where: short stacking energy: -442.267
Base-Backbone interact. energy: -0.500
local terms energy: -476.315413
where:
bonds (distance) C4'-P energy: -82.492
bonds (distance) P-C4' energy: -93.437
flat angles C4'-P-C4' energy: -107.160
flat angles P-C4'-P energy: -62.758
tors. eta vs tors. theta energy: -130.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1472.671508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.671508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.671508 (E_RNA)
where:
Base-Base interactions energy: -1025.334
where: short stacking energy: -432.077
Base-Backbone interact. energy: -3.317
local terms energy: -444.019829
where:
bonds (distance) C4'-P energy: -98.341
bonds (distance) P-C4' energy: -70.141
flat angles C4'-P-C4' energy: -103.345
flat angles P-C4'-P energy: -54.664
tors. eta vs tors. theta energy: -117.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1360.214452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.214452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.214452 (E_RNA)
where:
Base-Base interactions energy: -921.361
where: short stacking energy: -394.951
Base-Backbone interact. energy: -0.949
local terms energy: -437.904230
where:
bonds (distance) C4'-P energy: -83.218
bonds (distance) P-C4' energy: -83.512
flat angles C4'-P-C4' energy: -94.041
flat angles P-C4'-P energy: -60.918
tors. eta vs tors. theta energy: -116.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1274.598855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.598855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.598855 (E_RNA)
where:
Base-Base interactions energy: -835.539
where: short stacking energy: -384.493
Base-Backbone interact. energy: -0.927
local terms energy: -438.132877
where:
bonds (distance) C4'-P energy: -92.251
bonds (distance) P-C4' energy: -84.809
flat angles C4'-P-C4' energy: -87.438
flat angles P-C4'-P energy: -65.365
tors. eta vs tors. theta energy: -108.270
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: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1228.038294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.038294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.038294 (E_RNA)
where:
Base-Base interactions energy: -833.014
where: short stacking energy: -364.529
Base-Backbone interact. energy: 2.693
local terms energy: -397.717555
where:
bonds (distance) C4'-P energy: -80.163
bonds (distance) P-C4' energy: -74.444
flat angles C4'-P-C4' energy: -99.691
flat angles P-C4'-P energy: -55.196
tors. eta vs tors. theta energy: -88.223
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: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1078.209209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.209209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.209209 (E_RNA)
where:
Base-Base interactions energy: -700.919
where: short stacking energy: -308.714
Base-Backbone interact. energy: -1.320
local terms energy: -375.970520
where:
bonds (distance) C4'-P energy: -79.503
bonds (distance) P-C4' energy: -72.194
flat angles C4'-P-C4' energy: -81.210
flat angles P-C4'-P energy: -64.095
tors. eta vs tors. theta energy: -78.969
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: 8, replica: 2
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -995.888119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.888119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.888119 (E_RNA)
where:
Base-Base interactions energy: -672.282
where: short stacking energy: -297.922
Base-Backbone interact. energy: -1.858
local terms energy: -321.747608
where:
bonds (distance) C4'-P energy: -69.176
bonds (distance) P-C4' energy: -70.497
flat angles C4'-P-C4' energy: -86.873
flat angles P-C4'-P energy: -42.018
tors. eta vs tors. theta energy: -53.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -869.997378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.997378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.997378 (E_RNA)
where:
Base-Base interactions energy: -562.464
where: short stacking energy: -246.686
Base-Backbone interact. energy: 0.438
local terms energy: -307.971550
where:
bonds (distance) C4'-P energy: -74.628
bonds (distance) P-C4' energy: -70.245
flat angles C4'-P-C4' energy: -73.460
flat angles P-C4'-P energy: -57.362
tors. eta vs tors. theta energy: -32.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -626.779293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.779293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.779293 (E_RNA)
where:
Base-Base interactions energy: -369.556
where: short stacking energy: -189.608
Base-Backbone interact. energy: -0.815
local terms energy: -256.408648
where:
bonds (distance) C4'-P energy: -56.801
bonds (distance) P-C4' energy: -66.599
flat angles C4'-P-C4' energy: -67.509
flat angles P-C4'-P energy: -37.916
tors. eta vs tors. theta energy: -27.584
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: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1579.018522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.018522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.018522 (E_RNA)
where:
Base-Base interactions energy: -1099.836
where: short stacking energy: -455.483
Base-Backbone interact. energy: -2.653
local terms energy: -476.529862
where:
bonds (distance) C4'-P energy: -85.669
bonds (distance) P-C4' energy: -95.864
flat angles C4'-P-C4' energy: -103.403
flat angles P-C4'-P energy: -63.028
tors. eta vs tors. theta energy: -128.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1512.964574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.964574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.964574 (E_RNA)
where:
Base-Base interactions energy: -1057.038
where: short stacking energy: -438.825
Base-Backbone interact. energy: -1.592
local terms energy: -454.334539
where:
bonds (distance) C4'-P energy: -84.920
bonds (distance) P-C4' energy: -85.918
flat angles C4'-P-C4' energy: -102.211
flat angles P-C4'-P energy: -59.538
tors. eta vs tors. theta energy: -121.748
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: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1493.243404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.243404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.243404 (E_RNA)
where:
Base-Base interactions energy: -1050.851
where: short stacking energy: -447.780
Base-Backbone interact. energy: 4.953
local terms energy: -447.345760
where:
bonds (distance) C4'-P energy: -92.010
bonds (distance) P-C4' energy: -86.096
flat angles C4'-P-C4' energy: -86.660
flat angles P-C4'-P energy: -61.641
tors. eta vs tors. theta energy: -120.939
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: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1376.430070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.430070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.430070 (E_RNA)
where:
Base-Base interactions energy: -937.860
where: short stacking energy: -397.891
Base-Backbone interact. energy: -1.019
local terms energy: -437.550750
where:
bonds (distance) C4'-P energy: -78.455
bonds (distance) P-C4' energy: -89.163
flat angles C4'-P-C4' energy: -93.617
flat angles P-C4'-P energy: -62.964
tors. eta vs tors. theta energy: -113.352
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: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1241.608099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.608099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.608099 (E_RNA)
where:
Base-Base interactions energy: -826.967
where: short stacking energy: -377.449
Base-Backbone interact. energy: -1.054
local terms energy: -413.587487
where:
bonds (distance) C4'-P energy: -88.256
bonds (distance) P-C4' energy: -68.277
flat angles C4'-P-C4' energy: -92.708
flat angles P-C4'-P energy: -63.827
tors. eta vs tors. theta energy: -100.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1225.700315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.700315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.700315 (E_RNA)
where:
Base-Base interactions energy: -819.065
where: short stacking energy: -386.494
Base-Backbone interact. energy: 0.138
local terms energy: -406.773104
where:
bonds (distance) C4'-P energy: -79.235
bonds (distance) P-C4' energy: -84.055
flat angles C4'-P-C4' energy: -95.532
flat angles P-C4'-P energy: -50.750
tors. eta vs tors. theta energy: -97.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1063.401863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.401863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.401863 (E_RNA)
where:
Base-Base interactions energy: -682.435
where: short stacking energy: -300.542
Base-Backbone interact. energy: -1.331
local terms energy: -379.636599
where:
bonds (distance) C4'-P energy: -78.815
bonds (distance) P-C4' energy: -88.812
flat angles C4'-P-C4' energy: -92.403
flat angles P-C4'-P energy: -54.719
tors. eta vs tors. theta energy: -64.888
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: 452
Temperature: 1.250000
Total energy: -1023.692695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.692695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.692695 (E_RNA)
where:
Base-Base interactions energy: -635.433
where: short stacking energy: -299.893
Base-Backbone interact. energy: -0.450
local terms energy: -387.810386
where:
bonds (distance) C4'-P energy: -74.125
bonds (distance) P-C4' energy: -83.025
flat angles C4'-P-C4' energy: -91.216
flat angles P-C4'-P energy: -58.897
tors. eta vs tors. theta energy: -80.547
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: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -949.847279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.847279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.847279 (E_RNA)
where:
Base-Base interactions energy: -625.205
where: short stacking energy: -277.703
Base-Backbone interact. energy: 0.200
local terms energy: -324.842408
where:
bonds (distance) C4'-P energy: -75.035
bonds (distance) P-C4' energy: -79.430
flat angles C4'-P-C4' energy: -70.398
flat angles P-C4'-P energy: -46.559
tors. eta vs tors. theta energy: -53.420
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: 452
Temperature: 1.350000
Total energy: -590.057810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.057810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.057810 (E_RNA)
where:
Base-Base interactions energy: -328.990
where: short stacking energy: -175.503
Base-Backbone interact. energy: 2.891
local terms energy: -263.958332
where:
bonds (distance) C4'-P energy: -76.659
bonds (distance) P-C4' energy: -76.610
flat angles C4'-P-C4' energy: -49.185
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -17.958
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: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1583.874277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.874277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.874277 (E_RNA)
where:
Base-Base interactions energy: -1120.115
where: short stacking energy: -465.857
Base-Backbone interact. energy: -3.537
local terms energy: -460.222433
where:
bonds (distance) C4'-P energy: -86.507
bonds (distance) P-C4' energy: -90.437
flat angles C4'-P-C4' energy: -96.864
flat angles P-C4'-P energy: -60.029
tors. eta vs tors. theta energy: -126.385
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: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1541.916416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.916416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.916416 (E_RNA)
where:
Base-Base interactions energy: -1062.296
where: short stacking energy: -441.009
Base-Backbone interact. energy: -4.790
local terms energy: -474.830584
where:
bonds (distance) C4'-P energy: -88.583
bonds (distance) P-C4' energy: -95.239
flat angles C4'-P-C4' energy: -102.409
flat angles P-C4'-P energy: -71.387
tors. eta vs tors. theta energy: -117.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1442.873762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.873762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.873762 (E_RNA)
where:
Base-Base interactions energy: -1028.271
where: short stacking energy: -424.622
Base-Backbone interact. energy: -1.906
local terms energy: -412.696817
where:
bonds (distance) C4'-P energy: -75.803
bonds (distance) P-C4' energy: -90.296
flat angles C4'-P-C4' energy: -96.466
flat angles P-C4'-P energy: -41.822
tors. eta vs tors. theta energy: -108.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1384.246017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.246017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.246017 (E_RNA)
where:
Base-Base interactions energy: -915.417
where: short stacking energy: -405.309
Base-Backbone interact. energy: -1.807
local terms energy: -467.022486
where:
bonds (distance) C4'-P energy: -98.556
bonds (distance) P-C4' energy: -86.498
flat angles C4'-P-C4' energy: -98.995
flat angles P-C4'-P energy: -67.874
tors. eta vs tors. theta energy: -115.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1255.166724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.166724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.166724 (E_RNA)
where:
Base-Base interactions energy: -846.954
where: short stacking energy: -376.477
Base-Backbone interact. energy: 1.239
local terms energy: -409.451615
where:
bonds (distance) C4'-P energy: -80.416
bonds (distance) P-C4' energy: -78.465
flat angles C4'-P-C4' energy: -86.861
flat angles P-C4'-P energy: -57.807
tors. eta vs tors. theta energy: -105.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1211.267352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.267352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.267352 (E_RNA)
where:
Base-Base interactions energy: -803.152
where: short stacking energy: -333.858
Base-Backbone interact. energy: 0.922
local terms energy: -409.036829
where:
bonds (distance) C4'-P energy: -85.861
bonds (distance) P-C4' energy: -91.623
flat angles C4'-P-C4' energy: -99.249
flat angles P-C4'-P energy: -51.921
tors. eta vs tors. theta energy: -80.382
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: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1070.293843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.293843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.293843 (E_RNA)
where:
Base-Base interactions energy: -683.290
where: short stacking energy: -288.071
Base-Backbone interact. energy: 1.021
local terms energy: -388.024776
where:
bonds (distance) C4'-P energy: -88.875
bonds (distance) P-C4' energy: -89.284
flat angles C4'-P-C4' energy: -91.637
flat angles P-C4'-P energy: -64.590
tors. eta vs tors. theta energy: -53.639
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: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1007.600460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.600460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.600460 (E_RNA)
where:
Base-Base interactions energy: -669.251
where: short stacking energy: -296.066
Base-Backbone interact. energy: -1.054
local terms energy: -337.295761
where:
bonds (distance) C4'-P energy: -74.497
bonds (distance) P-C4' energy: -86.070
flat angles C4'-P-C4' energy: -71.213
flat angles P-C4'-P energy: -45.545
tors. eta vs tors. theta energy: -59.971
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: 453
Temperature: 1.300000
Total energy: -962.311435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.311435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.311435 (E_RNA)
where:
Base-Base interactions energy: -628.142
where: short stacking energy: -272.633
Base-Backbone interact. energy: -1.223
local terms energy: -332.946880
where:
bonds (distance) C4'-P energy: -85.949
bonds (distance) P-C4' energy: -77.093
flat angles C4'-P-C4' energy: -72.028
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: -51.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -599.992913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.992913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.992913 (E_RNA)
where:
Base-Base interactions energy: -359.330
where: short stacking energy: -176.606
Base-Backbone interact. energy: 0.241
local terms energy: -240.903323
where:
bonds (distance) C4'-P energy: -60.415
bonds (distance) P-C4' energy: -77.293
flat angles C4'-P-C4' energy: -64.083
flat angles P-C4'-P energy: -36.103
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1567.451039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.451039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.451039 (E_RNA)
where:
Base-Base interactions energy: -1103.937
where: short stacking energy: -463.887
Base-Backbone interact. energy: -0.765
local terms energy: -462.748627
where:
bonds (distance) C4'-P energy: -89.262
bonds (distance) P-C4' energy: -96.318
flat angles C4'-P-C4' energy: -104.247
flat angles P-C4'-P energy: -54.028
tors. eta vs tors. theta energy: -118.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1512.338126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.338126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.338126 (E_RNA)
where:
Base-Base interactions energy: -1047.436
where: short stacking energy: -432.527
Base-Backbone interact. energy: -4.010
local terms energy: -460.892096
where:
bonds (distance) C4'-P energy: -77.908
bonds (distance) P-C4' energy: -87.071
flat angles C4'-P-C4' energy: -106.003
flat angles P-C4'-P energy: -74.435
tors. eta vs tors. theta energy: -115.476
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: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1475.076192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.076192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.076192 (E_RNA)
where:
Base-Base interactions energy: -1030.493
where: short stacking energy: -431.723
Base-Backbone interact. energy: -0.327
local terms energy: -444.256198
where:
bonds (distance) C4'-P energy: -87.410
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -98.709
flat angles P-C4'-P energy: -57.695
tors. eta vs tors. theta energy: -109.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1370.751149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.751149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.751149 (E_RNA)
where:
Base-Base interactions energy: -930.064
where: short stacking energy: -404.409
Base-Backbone interact. energy: -0.910
local terms energy: -439.777425
where:
bonds (distance) C4'-P energy: -79.451
bonds (distance) P-C4' energy: -86.376
flat angles C4'-P-C4' energy: -97.628
flat angles P-C4'-P energy: -64.875
tors. eta vs tors. theta energy: -111.447
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: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1242.430945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.430945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.430945 (E_RNA)
where:
Base-Base interactions energy: -833.677
where: short stacking energy: -350.936
Base-Backbone interact. energy: -0.234
local terms energy: -408.520085
where:
bonds (distance) C4'-P energy: -86.844
bonds (distance) P-C4' energy: -80.730
flat angles C4'-P-C4' energy: -90.037
flat angles P-C4'-P energy: -56.426
tors. eta vs tors. theta energy: -94.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1217.088233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.088233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.088233 (E_RNA)
where:
Base-Base interactions energy: -814.692
where: short stacking energy: -340.005
Base-Backbone interact. energy: -0.984
local terms energy: -401.412180
where:
bonds (distance) C4'-P energy: -93.169
bonds (distance) P-C4' energy: -75.590
flat angles C4'-P-C4' energy: -92.962
flat angles P-C4'-P energy: -59.047
tors. eta vs tors. theta energy: -80.645
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: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1106.575768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.575768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.575768 (E_RNA)
where:
Base-Base interactions energy: -715.244
where: short stacking energy: -324.741
Base-Backbone interact. energy: -1.466
local terms energy: -389.865724
where:
bonds (distance) C4'-P energy: -84.073
bonds (distance) P-C4' energy: -81.266
flat angles C4'-P-C4' energy: -93.213
flat angles P-C4'-P energy: -51.538
tors. eta vs tors. theta energy: -79.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -962.146272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.146272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.146272 (E_RNA)
where:
Base-Base interactions energy: -637.728
where: short stacking energy: -303.750
Base-Backbone interact. energy: 0.237
local terms energy: -324.655541
where:
bonds (distance) C4'-P energy: -83.869
bonds (distance) P-C4' energy: -71.435
flat angles C4'-P-C4' energy: -79.314
flat angles P-C4'-P energy: -38.398
tors. eta vs tors. theta energy: -51.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -908.965133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.965133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.965133 (E_RNA)
where:
Base-Base interactions energy: -580.071
where: short stacking energy: -253.401
Base-Backbone interact. energy: -1.526
local terms energy: -327.368913
where:
bonds (distance) C4'-P energy: -76.979
bonds (distance) P-C4' energy: -87.495
flat angles C4'-P-C4' energy: -75.007
flat angles P-C4'-P energy: -48.823
tors. eta vs tors. theta energy: -39.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -588.224258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.224258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.224258 (E_RNA)
where:
Base-Base interactions energy: -324.303
where: short stacking energy: -135.119
Base-Backbone interact. energy: 0.277
local terms energy: -264.198256
where:
bonds (distance) C4'-P energy: -63.482
bonds (distance) P-C4' energy: -81.240
flat angles C4'-P-C4' energy: -71.888
flat angles P-C4'-P energy: -49.439
tors. eta vs tors. theta energy: 1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1566.499327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.499327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.499327 (E_RNA)
where:
Base-Base interactions energy: -1100.637
where: short stacking energy: -451.540
Base-Backbone interact. energy: 3.207
local terms energy: -469.069432
where:
bonds (distance) C4'-P energy: -89.769
bonds (distance) P-C4' energy: -82.680
flat angles C4'-P-C4' energy: -100.136
flat angles P-C4'-P energy: -66.236
tors. eta vs tors. theta energy: -130.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1550.579516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.579516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.579516 (E_RNA)
where:
Base-Base interactions energy: -1071.202
where: short stacking energy: -443.655
Base-Backbone interact. energy: -1.224
local terms energy: -478.154082
where:
bonds (distance) C4'-P energy: -84.873
bonds (distance) P-C4' energy: -94.422
flat angles C4'-P-C4' energy: -101.964
flat angles P-C4'-P energy: -72.165
tors. eta vs tors. theta energy: -124.730
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: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1474.696375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.696375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.696375 (E_RNA)
where:
Base-Base interactions energy: -1021.491
where: short stacking energy: -429.314
Base-Backbone interact. energy: 0.058
local terms energy: -453.263370
where:
bonds (distance) C4'-P energy: -86.676
bonds (distance) P-C4' energy: -93.671
flat angles C4'-P-C4' energy: -97.351
flat angles P-C4'-P energy: -68.728
tors. eta vs tors. theta energy: -106.837
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: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1376.383830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.383830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.383830 (E_RNA)
where:
Base-Base interactions energy: -924.394
where: short stacking energy: -406.412
Base-Backbone interact. energy: -4.854
local terms energy: -447.135598
where:
bonds (distance) C4'-P energy: -85.982
bonds (distance) P-C4' energy: -92.622
flat angles C4'-P-C4' energy: -95.071
flat angles P-C4'-P energy: -64.789
tors. eta vs tors. theta energy: -108.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1266.443130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.443130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.443130 (E_RNA)
where:
Base-Base interactions energy: -862.121
where: short stacking energy: -369.258
Base-Backbone interact. energy: -0.303
local terms energy: -404.018647
where:
bonds (distance) C4'-P energy: -81.677
bonds (distance) P-C4' energy: -81.802
flat angles C4'-P-C4' energy: -79.980
flat angles P-C4'-P energy: -63.241
tors. eta vs tors. theta energy: -97.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1202.182446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.182446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.182446 (E_RNA)
where:
Base-Base interactions energy: -821.368
where: short stacking energy: -363.580
Base-Backbone interact. energy: -0.569
local terms energy: -380.245521
where:
bonds (distance) C4'-P energy: -80.108
bonds (distance) P-C4' energy: -80.386
flat angles C4'-P-C4' energy: -92.713
flat angles P-C4'-P energy: -45.024
tors. eta vs tors. theta energy: -82.013
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: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1042.169159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.169159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.169159 (E_RNA)
where:
Base-Base interactions energy: -687.491
where: short stacking energy: -319.955
Base-Backbone interact. energy: 1.729
local terms energy: -356.407032
where:
bonds (distance) C4'-P energy: -64.845
bonds (distance) P-C4' energy: -83.593
flat angles C4'-P-C4' energy: -92.124
flat angles P-C4'-P energy: -44.104
tors. eta vs tors. theta energy: -71.742
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: 8, replica: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -962.266783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.266783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.266783 (E_RNA)
where:
Base-Base interactions energy: -626.972
where: short stacking energy: -288.795
Base-Backbone interact. energy: 3.630
local terms energy: -338.925422
where:
bonds (distance) C4'-P energy: -77.006
bonds (distance) P-C4' energy: -68.903
flat angles C4'-P-C4' energy: -85.061
flat angles P-C4'-P energy: -42.747
tors. eta vs tors. theta energy: -65.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -933.045362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.045362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.045362 (E_RNA)
where:
Base-Base interactions energy: -602.583
where: short stacking energy: -262.431
Base-Backbone interact. energy: 0.307
local terms energy: -330.769048
where:
bonds (distance) C4'-P energy: -80.063
bonds (distance) P-C4' energy: -73.935
flat angles C4'-P-C4' energy: -78.242
flat angles P-C4'-P energy: -48.461
tors. eta vs tors. theta energy: -50.068
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: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -575.637907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.637907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.637907 (E_RNA)
where:
Base-Base interactions energy: -330.993
where: short stacking energy: -181.582
Base-Backbone interact. energy: -1.201
local terms energy: -243.443688
where:
bonds (distance) C4'-P energy: -76.684
bonds (distance) P-C4' energy: -68.543
flat angles C4'-P-C4' energy: -51.350
flat angles P-C4'-P energy: -41.499
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1564.248294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.248294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.248294 (E_RNA)
where:
Base-Base interactions energy: -1094.028
where: short stacking energy: -449.755
Base-Backbone interact. energy: -3.166
local terms energy: -467.054701
where:
bonds (distance) C4'-P energy: -89.033
bonds (distance) P-C4' energy: -96.861
flat angles C4'-P-C4' energy: -95.931
flat angles P-C4'-P energy: -63.863
tors. eta vs tors. theta energy: -121.367
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: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1542.878686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.878686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.878686 (E_RNA)
where:
Base-Base interactions energy: -1101.351
where: short stacking energy: -441.945
Base-Backbone interact. energy: -2.505
local terms energy: -439.023242
where:
bonds (distance) C4'-P energy: -88.554
bonds (distance) P-C4' energy: -89.051
flat angles C4'-P-C4' energy: -86.290
flat angles P-C4'-P energy: -66.606
tors. eta vs tors. theta energy: -108.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1508.867274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.867274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.867274 (E_RNA)
where:
Base-Base interactions energy: -1079.591
where: short stacking energy: -473.057
Base-Backbone interact. energy: -0.439
local terms energy: -428.837587
where:
bonds (distance) C4'-P energy: -68.784
bonds (distance) P-C4' energy: -86.735
flat angles C4'-P-C4' energy: -99.358
flat angles P-C4'-P energy: -51.452
tors. eta vs tors. theta energy: -122.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1385.330602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.330602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.330602 (E_RNA)
where:
Base-Base interactions energy: -938.004
where: short stacking energy: -408.137
Base-Backbone interact. energy: -2.414
local terms energy: -444.912169
where:
bonds (distance) C4'-P energy: -80.660
bonds (distance) P-C4' energy: -87.520
flat angles C4'-P-C4' energy: -92.070
flat angles P-C4'-P energy: -67.162
tors. eta vs tors. theta energy: -117.499
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: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1237.559053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.559053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.559053 (E_RNA)
where:
Base-Base interactions energy: -814.269
where: short stacking energy: -384.569
Base-Backbone interact. energy: -4.075
local terms energy: -419.215569
where:
bonds (distance) C4'-P energy: -77.598
bonds (distance) P-C4' energy: -78.668
flat angles C4'-P-C4' energy: -106.495
flat angles P-C4'-P energy: -61.217
tors. eta vs tors. theta energy: -95.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1245.679641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.679641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.679641 (E_RNA)
where:
Base-Base interactions energy: -846.624
where: short stacking energy: -374.304
Base-Backbone interact. energy: -1.305
local terms energy: -397.749853
where:
bonds (distance) C4'-P energy: -81.962
bonds (distance) P-C4' energy: -71.363
flat angles C4'-P-C4' energy: -90.421
flat angles P-C4'-P energy: -59.276
tors. eta vs tors. theta energy: -94.728
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: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1012.026913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.026913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.026913 (E_RNA)
where:
Base-Base interactions energy: -653.927
where: short stacking energy: -285.526
Base-Backbone interact. energy: 1.148
local terms energy: -359.247809
where:
bonds (distance) C4'-P energy: -76.647
bonds (distance) P-C4' energy: -80.386
flat angles C4'-P-C4' energy: -97.506
flat angles P-C4'-P energy: -55.060
tors. eta vs tors. theta energy: -49.649
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: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -999.272725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.272725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.272725 (E_RNA)
where:
Base-Base interactions energy: -670.445
where: short stacking energy: -309.287
Base-Backbone interact. energy: 2.126
local terms energy: -330.952748
where:
bonds (distance) C4'-P energy: -73.304
bonds (distance) P-C4' energy: -70.272
flat angles C4'-P-C4' energy: -74.905
flat angles P-C4'-P energy: -51.402
tors. eta vs tors. theta energy: -61.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -926.302967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.302967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.302967 (E_RNA)
where:
Base-Base interactions energy: -601.987
where: short stacking energy: -286.081
Base-Backbone interact. energy: -1.120
local terms energy: -323.195554
where:
bonds (distance) C4'-P energy: -68.496
bonds (distance) P-C4' energy: -69.123
flat angles C4'-P-C4' energy: -80.759
flat angles P-C4'-P energy: -54.026
tors. eta vs tors. theta energy: -50.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -625.169596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.169596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.169596 (E_RNA)
where:
Base-Base interactions energy: -345.538
where: short stacking energy: -176.396
Base-Backbone interact. energy: 1.375
local terms energy: -281.007300
where:
bonds (distance) C4'-P energy: -69.920
bonds (distance) P-C4' energy: -86.682
flat angles C4'-P-C4' energy: -79.534
flat angles P-C4'-P energy: -40.204
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1559.231484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.231484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.231484 (E_RNA)
where:
Base-Base interactions energy: -1073.575
where: short stacking energy: -443.952
Base-Backbone interact. energy: -5.350
local terms energy: -480.306486
where:
bonds (distance) C4'-P energy: -86.340
bonds (distance) P-C4' energy: -99.048
flat angles C4'-P-C4' energy: -101.162
flat angles P-C4'-P energy: -70.911
tors. eta vs tors. theta energy: -122.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1531.103892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.103892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.103892 (E_RNA)
where:
Base-Base interactions energy: -1071.286
where: short stacking energy: -443.259
Base-Backbone interact. energy: 0.740
local terms energy: -460.558205
where:
bonds (distance) C4'-P energy: -90.154
bonds (distance) P-C4' energy: -98.475
flat angles C4'-P-C4' energy: -98.143
flat angles P-C4'-P energy: -58.397
tors. eta vs tors. theta energy: -115.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1478.857688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.857688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.857688 (E_RNA)
where:
Base-Base interactions energy: -1066.824
where: short stacking energy: -425.680
Base-Backbone interact. energy: -2.478
local terms energy: -409.555153
where:
bonds (distance) C4'-P energy: -75.200
bonds (distance) P-C4' energy: -91.931
flat angles C4'-P-C4' energy: -90.936
flat angles P-C4'-P energy: -42.621
tors. eta vs tors. theta energy: -108.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1339.721315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.721315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.721315 (E_RNA)
where:
Base-Base interactions energy: -893.556
where: short stacking energy: -409.535
Base-Backbone interact. energy: 0.059
local terms energy: -446.224844
where:
bonds (distance) C4'-P energy: -78.647
bonds (distance) P-C4' energy: -93.161
flat angles C4'-P-C4' energy: -91.575
flat angles P-C4'-P energy: -67.308
tors. eta vs tors. theta energy: -115.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1175.518251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.518251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.518251 (E_RNA)
where:
Base-Base interactions energy: -783.361
where: short stacking energy: -322.460
Base-Backbone interact. energy: -1.881
local terms energy: -390.276594
where:
bonds (distance) C4'-P energy: -86.137
bonds (distance) P-C4' energy: -77.160
flat angles C4'-P-C4' energy: -88.142
flat angles P-C4'-P energy: -57.470
tors. eta vs tors. theta energy: -81.368
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: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1226.739054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.739054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.739054 (E_RNA)
where:
Base-Base interactions energy: -818.050
where: short stacking energy: -354.978
Base-Backbone interact. energy: -1.669
local terms energy: -407.019645
where:
bonds (distance) C4'-P energy: -72.962
bonds (distance) P-C4' energy: -86.385
flat angles C4'-P-C4' energy: -96.012
flat angles P-C4'-P energy: -53.880
tors. eta vs tors. theta energy: -97.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1072.139219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.139219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.139219 (E_RNA)
where:
Base-Base interactions energy: -710.552
where: short stacking energy: -302.213
Base-Backbone interact. energy: -0.912
local terms energy: -360.675297
where:
bonds (distance) C4'-P energy: -78.095
bonds (distance) P-C4' energy: -81.424
flat angles C4'-P-C4' energy: -81.647
flat angles P-C4'-P energy: -49.901
tors. eta vs tors. theta energy: -69.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1007.138427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.138427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.138427 (E_RNA)
where:
Base-Base interactions energy: -657.546
where: short stacking energy: -315.644
Base-Backbone interact. energy: 0.006
local terms energy: -349.598591
where:
bonds (distance) C4'-P energy: -72.669
bonds (distance) P-C4' energy: -82.154
flat angles C4'-P-C4' energy: -79.461
flat angles P-C4'-P energy: -39.577
tors. eta vs tors. theta energy: -75.737
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: 9, replica: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -910.461611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.461611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.461611 (E_RNA)
where:
Base-Base interactions energy: -596.711
where: short stacking energy: -285.999
Base-Backbone interact. energy: -1.822
local terms energy: -311.928026
where:
bonds (distance) C4'-P energy: -72.067
bonds (distance) P-C4' energy: -70.935
flat angles C4'-P-C4' energy: -73.470
flat angles P-C4'-P energy: -36.957
tors. eta vs tors. theta energy: -58.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -605.504628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.504628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.504628 (E_RNA)
where:
Base-Base interactions energy: -355.181
where: short stacking energy: -158.726
Base-Backbone interact. energy: -0.164
local terms energy: -250.159441
where:
bonds (distance) C4'-P energy: -59.709
bonds (distance) P-C4' energy: -88.994
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -38.928
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: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1575.127742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.127742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.127742 (E_RNA)
where:
Base-Base interactions energy: -1072.910
where: short stacking energy: -437.329
Base-Backbone interact. energy: -3.021
local terms energy: -499.195887
where:
bonds (distance) C4'-P energy: -97.324
bonds (distance) P-C4' energy: -93.391
flat angles C4'-P-C4' energy: -105.269
flat angles P-C4'-P energy: -76.573
tors. eta vs tors. theta energy: -126.640
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: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1549.120099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.120099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.120099 (E_RNA)
where:
Base-Base interactions energy: -1101.474
where: short stacking energy: -451.004
Base-Backbone interact. energy: -4.755
local terms energy: -442.891139
where:
bonds (distance) C4'-P energy: -81.063
bonds (distance) P-C4' energy: -89.565
flat angles C4'-P-C4' energy: -100.261
flat angles P-C4'-P energy: -56.375
tors. eta vs tors. theta energy: -115.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1495.500977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.500977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.500977 (E_RNA)
where:
Base-Base interactions energy: -1066.353
where: short stacking energy: -427.782
Base-Backbone interact. energy: -2.546
local terms energy: -426.602600
where:
bonds (distance) C4'-P energy: -69.826
bonds (distance) P-C4' energy: -80.809
flat angles C4'-P-C4' energy: -102.080
flat angles P-C4'-P energy: -68.051
tors. eta vs tors. theta energy: -105.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1351.127034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.127034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.127034 (E_RNA)
where:
Base-Base interactions energy: -915.642
where: short stacking energy: -412.492
Base-Backbone interact. energy: 0.264
local terms energy: -435.748662
where:
bonds (distance) C4'-P energy: -91.980
bonds (distance) P-C4' energy: -90.461
flat angles C4'-P-C4' energy: -90.639
flat angles P-C4'-P energy: -45.788
tors. eta vs tors. theta energy: -116.881
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: 458
Temperature: 1.100000
Total energy: -1249.767803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.767803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.767803 (E_RNA)
where:
Base-Base interactions energy: -844.419
where: short stacking energy: -352.456
Base-Backbone interact. energy: -0.562
local terms energy: -404.786834
where:
bonds (distance) C4'-P energy: -85.140
bonds (distance) P-C4' energy: -94.947
flat angles C4'-P-C4' energy: -86.823
flat angles P-C4'-P energy: -59.892
tors. eta vs tors. theta energy: -77.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1173.768497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.768497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.768497 (E_RNA)
where:
Base-Base interactions energy: -776.286
where: short stacking energy: -338.414
Base-Backbone interact. energy: -0.768
local terms energy: -396.714918
where:
bonds (distance) C4'-P energy: -84.559
bonds (distance) P-C4' energy: -87.727
flat angles C4'-P-C4' energy: -91.251
flat angles P-C4'-P energy: -31.792
tors. eta vs tors. theta energy: -101.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1031.550981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.550981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.550981 (E_RNA)
where:
Base-Base interactions energy: -670.328
where: short stacking energy: -311.744
Base-Backbone interact. energy: -0.539
local terms energy: -360.684364
where:
bonds (distance) C4'-P energy: -75.442
bonds (distance) P-C4' energy: -70.442
flat angles C4'-P-C4' energy: -89.560
flat angles P-C4'-P energy: -58.834
tors. eta vs tors. theta energy: -66.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1013.192318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.192318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.192318 (E_RNA)
where:
Base-Base interactions energy: -691.318
where: short stacking energy: -276.772
Base-Backbone interact. energy: -2.200
local terms energy: -319.674518
where:
bonds (distance) C4'-P energy: -64.225
bonds (distance) P-C4' energy: -80.097
flat angles C4'-P-C4' energy: -73.914
flat angles P-C4'-P energy: -52.836
tors. eta vs tors. theta energy: -48.602
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: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -889.601798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.601798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.601798 (E_RNA)
where:
Base-Base interactions energy: -576.152
where: short stacking energy: -254.874
Base-Backbone interact. energy: 0.353
local terms energy: -313.802982
where:
bonds (distance) C4'-P energy: -79.592
bonds (distance) P-C4' energy: -75.605
flat angles C4'-P-C4' energy: -69.264
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: -51.313
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: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -613.438923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.438923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.438923 (E_RNA)
where:
Base-Base interactions energy: -351.819
where: short stacking energy: -185.118
Base-Backbone interact. energy: 2.096
local terms energy: -263.715896
where:
bonds (distance) C4'-P energy: -70.644
bonds (distance) P-C4' energy: -88.087
flat angles C4'-P-C4' energy: -72.586
flat angles P-C4'-P energy: -29.569
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1577.578348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.578348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.578348 (E_RNA)
where:
Base-Base interactions energy: -1093.951
where: short stacking energy: -469.110
Base-Backbone interact. energy: -4.330
local terms energy: -479.297293
where:
bonds (distance) C4'-P energy: -91.266
bonds (distance) P-C4' energy: -96.511
flat angles C4'-P-C4' energy: -99.942
flat angles P-C4'-P energy: -64.920
tors. eta vs tors. theta energy: -126.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1562.717624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.717624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.717624 (E_RNA)
where:
Base-Base interactions energy: -1114.108
where: short stacking energy: -483.884
Base-Backbone interact. energy: -1.726
local terms energy: -446.883110
where:
bonds (distance) C4'-P energy: -78.582
bonds (distance) P-C4' energy: -79.148
flat angles C4'-P-C4' energy: -100.608
flat angles P-C4'-P energy: -63.772
tors. eta vs tors. theta energy: -124.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1465.036669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.036669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.036669 (E_RNA)
where:
Base-Base interactions energy: -1049.027
where: short stacking energy: -411.653
Base-Backbone interact. energy: -2.563
local terms energy: -413.446550
where:
bonds (distance) C4'-P energy: -73.727
bonds (distance) P-C4' energy: -84.763
flat angles C4'-P-C4' energy: -90.817
flat angles P-C4'-P energy: -55.773
tors. eta vs tors. theta energy: -108.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1392.079093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.079093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.079093 (E_RNA)
where:
Base-Base interactions energy: -957.300
where: short stacking energy: -424.178
Base-Backbone interact. energy: -0.629
local terms energy: -434.150624
where:
bonds (distance) C4'-P energy: -66.646
bonds (distance) P-C4' energy: -82.845
flat angles C4'-P-C4' energy: -96.783
flat angles P-C4'-P energy: -54.066
tors. eta vs tors. theta energy: -133.811
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: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1242.604398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.604398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.604398 (E_RNA)
where:
Base-Base interactions energy: -848.898
where: short stacking energy: -360.882
Base-Backbone interact. energy: -3.044
local terms energy: -390.662747
where:
bonds (distance) C4'-P energy: -84.558
bonds (distance) P-C4' energy: -79.782
flat angles C4'-P-C4' energy: -93.966
flat angles P-C4'-P energy: -54.536
tors. eta vs tors. theta energy: -77.821
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: 459
Temperature: 1.150000
Total energy: -1141.451895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.451895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.451895 (E_RNA)
where:
Base-Base interactions energy: -764.937
where: short stacking energy: -355.766
Base-Backbone interact. energy: -0.267
local terms energy: -376.248588
where:
bonds (distance) C4'-P energy: -70.812
bonds (distance) P-C4' energy: -84.211
flat angles C4'-P-C4' energy: -73.360
flat angles P-C4'-P energy: -56.898
tors. eta vs tors. theta energy: -90.968
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: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1027.689386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.689386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.689386 (E_RNA)
where:
Base-Base interactions energy: -649.418
where: short stacking energy: -312.642
Base-Backbone interact. energy: -1.883
local terms energy: -376.388168
where:
bonds (distance) C4'-P energy: -82.493
bonds (distance) P-C4' energy: -91.851
flat angles C4'-P-C4' energy: -79.606
flat angles P-C4'-P energy: -59.156
tors. eta vs tors. theta energy: -63.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1110.064509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.064509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.064509 (E_RNA)
where:
Base-Base interactions energy: -754.623
where: short stacking energy: -362.155
Base-Backbone interact. energy: -2.253
local terms energy: -353.188908
where:
bonds (distance) C4'-P energy: -76.261
bonds (distance) P-C4' energy: -74.608
flat angles C4'-P-C4' energy: -83.933
flat angles P-C4'-P energy: -40.218
tors. eta vs tors. theta energy: -78.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -882.215293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.215293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.215293 (E_RNA)
where:
Base-Base interactions energy: -561.086
where: short stacking energy: -261.033
Base-Backbone interact. energy: -0.761
local terms energy: -320.368255
where:
bonds (distance) C4'-P energy: -70.547
bonds (distance) P-C4' energy: -80.697
flat angles C4'-P-C4' energy: -73.458
flat angles P-C4'-P energy: -55.178
tors. eta vs tors. theta energy: -40.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -643.569154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.569154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.569154 (E_RNA)
where:
Base-Base interactions energy: -369.851
where: short stacking energy: -174.284
Base-Backbone interact. energy: -1.374
local terms energy: -272.344285
where:
bonds (distance) C4'-P energy: -74.389
bonds (distance) P-C4' energy: -59.905
flat angles C4'-P-C4' energy: -76.213
flat angles P-C4'-P energy: -40.929
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1584.979071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.979071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.979071 (E_RNA)
where:
Base-Base interactions energy: -1103.315
where: short stacking energy: -475.384
Base-Backbone interact. energy: -1.257
local terms energy: -480.406886
where:
bonds (distance) C4'-P energy: -85.319
bonds (distance) P-C4' energy: -101.430
flat angles C4'-P-C4' energy: -98.535
flat angles P-C4'-P energy: -66.631
tors. eta vs tors. theta energy: -128.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1526.170096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.170096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.170096 (E_RNA)
where:
Base-Base interactions energy: -1077.983
where: short stacking energy: -462.449
Base-Backbone interact. energy: 0.375
local terms energy: -448.561469
where:
bonds (distance) C4'-P energy: -78.592
bonds (distance) P-C4' energy: -87.338
flat angles C4'-P-C4' energy: -100.022
flat angles P-C4'-P energy: -59.844
tors. eta vs tors. theta energy: -122.766
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: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1490.157022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.157022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.157022 (E_RNA)
where:
Base-Base interactions energy: -1036.762
where: short stacking energy: -437.887
Base-Backbone interact. energy: -5.496
local terms energy: -447.899518
where:
bonds (distance) C4'-P energy: -76.556
bonds (distance) P-C4' energy: -88.920
flat angles C4'-P-C4' energy: -102.679
flat angles P-C4'-P energy: -60.684
tors. eta vs tors. theta energy: -119.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1350.628430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.628430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.628430 (E_RNA)
where:
Base-Base interactions energy: -893.932
where: short stacking energy: -395.312
Base-Backbone interact. energy: -0.950
local terms energy: -455.746713
where:
bonds (distance) C4'-P energy: -94.915
bonds (distance) P-C4' energy: -88.009
flat angles C4'-P-C4' energy: -99.010
flat angles P-C4'-P energy: -62.412
tors. eta vs tors. theta energy: -111.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1291.178628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.178628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.178628 (E_RNA)
where:
Base-Base interactions energy: -896.116
where: short stacking energy: -387.452
Base-Backbone interact. energy: -1.145
local terms energy: -393.917200
where:
bonds (distance) C4'-P energy: -80.954
bonds (distance) P-C4' energy: -68.679
flat angles C4'-P-C4' energy: -84.200
flat angles P-C4'-P energy: -69.527
tors. eta vs tors. theta energy: -90.557
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: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1165.220735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.220735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.220735 (E_RNA)
where:
Base-Base interactions energy: -775.919
where: short stacking energy: -341.193
Base-Backbone interact. energy: -0.729
local terms energy: -388.572640
where:
bonds (distance) C4'-P energy: -84.340
bonds (distance) P-C4' energy: -85.750
flat angles C4'-P-C4' energy: -86.260
flat angles P-C4'-P energy: -41.756
tors. eta vs tors. theta energy: -90.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1132.636934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.636934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.636934 (E_RNA)
where:
Base-Base interactions energy: -720.883
where: short stacking energy: -337.503
Base-Backbone interact. energy: -0.744
local terms energy: -411.009653
where:
bonds (distance) C4'-P energy: -70.817
bonds (distance) P-C4' energy: -90.299
flat angles C4'-P-C4' energy: -85.121
flat angles P-C4'-P energy: -66.662
tors. eta vs tors. theta energy: -98.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -972.539089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.539089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.539089 (E_RNA)
where:
Base-Base interactions energy: -637.449
where: short stacking energy: -283.818
Base-Backbone interact. energy: 3.032
local terms energy: -338.121318
where:
bonds (distance) C4'-P energy: -85.592
bonds (distance) P-C4' energy: -79.247
flat angles C4'-P-C4' energy: -71.204
flat angles P-C4'-P energy: -50.457
tors. eta vs tors. theta energy: -51.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -887.363706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.363706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.363706 (E_RNA)
where:
Base-Base interactions energy: -561.885
where: short stacking energy: -250.451
Base-Backbone interact. energy: -0.958
local terms energy: -324.520206
where:
bonds (distance) C4'-P energy: -85.947
bonds (distance) P-C4' energy: -91.226
flat angles C4'-P-C4' energy: -58.461
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -45.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -707.512163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.512163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.512163 (E_RNA)
where:
Base-Base interactions energy: -420.552
where: short stacking energy: -203.816
Base-Backbone interact. energy: -0.443
local terms energy: -286.516417
where:
bonds (distance) C4'-P energy: -75.290
bonds (distance) P-C4' energy: -85.511
flat angles C4'-P-C4' energy: -80.464
flat angles P-C4'-P energy: -26.752
tors. eta vs tors. theta energy: -18.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1583.004547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.004547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.004547 (E_RNA)
where:
Base-Base interactions energy: -1089.054
where: short stacking energy: -460.082
Base-Backbone interact. energy: -2.972
local terms energy: -490.979004
where:
bonds (distance) C4'-P energy: -94.119
bonds (distance) P-C4' energy: -96.729
flat angles C4'-P-C4' energy: -99.725
flat angles P-C4'-P energy: -68.099
tors. eta vs tors. theta energy: -132.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1502.076315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.076315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.076315 (E_RNA)
where:
Base-Base interactions energy: -1052.515
where: short stacking energy: -448.137
Base-Backbone interact. energy: -2.262
local terms energy: -447.298974
where:
bonds (distance) C4'-P energy: -86.821
bonds (distance) P-C4' energy: -92.062
flat angles C4'-P-C4' energy: -94.890
flat angles P-C4'-P energy: -57.230
tors. eta vs tors. theta energy: -116.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1477.171053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.171053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.171053 (E_RNA)
where:
Base-Base interactions energy: -1023.882
where: short stacking energy: -436.651
Base-Backbone interact. energy: -1.450
local terms energy: -451.838672
where:
bonds (distance) C4'-P energy: -88.628
bonds (distance) P-C4' energy: -85.108
flat angles C4'-P-C4' energy: -88.064
flat angles P-C4'-P energy: -64.707
tors. eta vs tors. theta energy: -125.332
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: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1378.296133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.296133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.296133 (E_RNA)
where:
Base-Base interactions energy: -937.260
where: short stacking energy: -408.560
Base-Backbone interact. energy: 2.977
local terms energy: -444.013593
where:
bonds (distance) C4'-P energy: -84.361
bonds (distance) P-C4' energy: -85.377
flat angles C4'-P-C4' energy: -96.120
flat angles P-C4'-P energy: -62.657
tors. eta vs tors. theta energy: -115.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1260.957984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.957984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.957984 (E_RNA)
where:
Base-Base interactions energy: -868.518
where: short stacking energy: -392.718
Base-Backbone interact. energy: -0.149
local terms energy: -392.291666
where:
bonds (distance) C4'-P energy: -80.509
bonds (distance) P-C4' energy: -65.759
flat angles C4'-P-C4' energy: -84.020
flat angles P-C4'-P energy: -68.352
tors. eta vs tors. theta energy: -93.652
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: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1144.652024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.652024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.652024 (E_RNA)
where:
Base-Base interactions energy: -767.000
where: short stacking energy: -342.261
Base-Backbone interact. energy: 1.683
local terms energy: -379.334564
where:
bonds (distance) C4'-P energy: -69.266
bonds (distance) P-C4' energy: -77.341
flat angles C4'-P-C4' energy: -98.052
flat angles P-C4'-P energy: -55.400
tors. eta vs tors. theta energy: -79.276
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: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1097.430394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.430394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.430394 (E_RNA)
where:
Base-Base interactions energy: -719.333
where: short stacking energy: -306.368
Base-Backbone interact. energy: 1.338
local terms energy: -379.435311
where:
bonds (distance) C4'-P energy: -82.866
bonds (distance) P-C4' energy: -82.698
flat angles C4'-P-C4' energy: -82.357
flat angles P-C4'-P energy: -62.039
tors. eta vs tors. theta energy: -69.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -981.925768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.925768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.925768 (E_RNA)
where:
Base-Base interactions energy: -651.245
where: short stacking energy: -273.413
Base-Backbone interact. energy: -0.465
local terms energy: -330.216022
where:
bonds (distance) C4'-P energy: -70.442
bonds (distance) P-C4' energy: -73.290
flat angles C4'-P-C4' energy: -76.435
flat angles P-C4'-P energy: -50.333
tors. eta vs tors. theta energy: -59.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -849.547279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.547279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.547279 (E_RNA)
where:
Base-Base interactions energy: -546.848
where: short stacking energy: -233.123
Base-Backbone interact. energy: 1.974
local terms energy: -304.673244
where:
bonds (distance) C4'-P energy: -59.540
bonds (distance) P-C4' energy: -85.350
flat angles C4'-P-C4' energy: -81.064
flat angles P-C4'-P energy: -46.614
tors. eta vs tors. theta energy: -32.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -701.752567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.752567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.752567 (E_RNA)
where:
Base-Base interactions energy: -422.902
where: short stacking energy: -193.668
Base-Backbone interact. energy: -0.782
local terms energy: -278.068127
where:
bonds (distance) C4'-P energy: -72.642
bonds (distance) P-C4' energy: -68.154
flat angles C4'-P-C4' energy: -73.441
flat angles P-C4'-P energy: -44.425
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1571.696881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.696881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.696881 (E_RNA)
where:
Base-Base interactions energy: -1075.371
where: short stacking energy: -450.234
Base-Backbone interact. energy: -2.270
local terms energy: -494.056006
where:
bonds (distance) C4'-P energy: -92.538
bonds (distance) P-C4' energy: -96.912
flat angles C4'-P-C4' energy: -106.263
flat angles P-C4'-P energy: -70.528
tors. eta vs tors. theta energy: -127.815
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: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1497.765349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.765349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.765349 (E_RNA)
where:
Base-Base interactions energy: -1051.354
where: short stacking energy: -425.045
Base-Backbone interact. energy: -3.028
local terms energy: -443.383190
where:
bonds (distance) C4'-P energy: -84.140
bonds (distance) P-C4' energy: -84.874
flat angles C4'-P-C4' energy: -100.936
flat angles P-C4'-P energy: -64.509
tors. eta vs tors. theta energy: -108.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1472.794363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.794363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.794363 (E_RNA)
where:
Base-Base interactions energy: -1022.608
where: short stacking energy: -420.130
Base-Backbone interact. energy: -0.725
local terms energy: -449.461429
where:
bonds (distance) C4'-P energy: -84.855
bonds (distance) P-C4' energy: -80.971
flat angles C4'-P-C4' energy: -97.977
flat angles P-C4'-P energy: -73.110
tors. eta vs tors. theta energy: -112.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1372.021955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.021955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.021955 (E_RNA)
where:
Base-Base interactions energy: -938.966
where: short stacking energy: -419.712
Base-Backbone interact. energy: -0.753
local terms energy: -432.302752
where:
bonds (distance) C4'-P energy: -73.467
bonds (distance) P-C4' energy: -79.830
flat angles C4'-P-C4' energy: -105.624
flat angles P-C4'-P energy: -58.885
tors. eta vs tors. theta energy: -114.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1292.097367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.097367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.097367 (E_RNA)
where:
Base-Base interactions energy: -868.337
where: short stacking energy: -381.620
Base-Backbone interact. energy: -2.714
local terms energy: -421.046308
where:
bonds (distance) C4'-P energy: -79.645
bonds (distance) P-C4' energy: -89.571
flat angles C4'-P-C4' energy: -99.926
flat angles P-C4'-P energy: -61.676
tors. eta vs tors. theta energy: -90.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1142.011185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.011185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.011185 (E_RNA)
where:
Base-Base interactions energy: -770.835
where: short stacking energy: -340.329
Base-Backbone interact. energy: -2.099
local terms energy: -369.077638
where:
bonds (distance) C4'-P energy: -77.480
bonds (distance) P-C4' energy: -75.293
flat angles C4'-P-C4' energy: -82.876
flat angles P-C4'-P energy: -52.714
tors. eta vs tors. theta energy: -80.714
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: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1110.533379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.533379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.533379 (E_RNA)
where:
Base-Base interactions energy: -727.478
where: short stacking energy: -324.126
Base-Backbone interact. energy: -1.599
local terms energy: -381.456067
where:
bonds (distance) C4'-P energy: -83.304
bonds (distance) P-C4' energy: -88.632
flat angles C4'-P-C4' energy: -89.995
flat angles P-C4'-P energy: -42.994
tors. eta vs tors. theta energy: -76.531
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: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -977.913726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.913726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.913726 (E_RNA)
where:
Base-Base interactions energy: -645.940
where: short stacking energy: -289.672
Base-Backbone interact. energy: 7.025
local terms energy: -338.998823
where:
bonds (distance) C4'-P energy: -78.811
bonds (distance) P-C4' energy: -78.184
flat angles C4'-P-C4' energy: -80.167
flat angles P-C4'-P energy: -47.250
tors. eta vs tors. theta energy: -54.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -857.224236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.224236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.224236 (E_RNA)
where:
Base-Base interactions energy: -584.066
where: short stacking energy: -256.301
Base-Backbone interact. energy: 0.612
local terms energy: -273.770222
where:
bonds (distance) C4'-P energy: -64.070
bonds (distance) P-C4' energy: -67.807
flat angles C4'-P-C4' energy: -72.271
flat angles P-C4'-P energy: -38.092
tors. eta vs tors. theta energy: -31.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -623.445967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.445967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.445967 (E_RNA)
where:
Base-Base interactions energy: -375.631
where: short stacking energy: -163.068
Base-Backbone interact. energy: 0.890
local terms energy: -248.705384
where:
bonds (distance) C4'-P energy: -72.196
bonds (distance) P-C4' energy: -80.624
flat angles C4'-P-C4' energy: -57.084
flat angles P-C4'-P energy: -35.155
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1585.186270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.186270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.186270 (E_RNA)
where:
Base-Base interactions energy: -1080.666
where: short stacking energy: -447.575
Base-Backbone interact. energy: -4.066
local terms energy: -500.454460
where:
bonds (distance) C4'-P energy: -93.745
bonds (distance) P-C4' energy: -101.514
flat angles C4'-P-C4' energy: -104.449
flat angles P-C4'-P energy: -72.480
tors. eta vs tors. theta energy: -128.267
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: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1512.900784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.900784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.900784 (E_RNA)
where:
Base-Base interactions energy: -1065.712
where: short stacking energy: -417.087
Base-Backbone interact. energy: -2.952
local terms energy: -444.236386
where:
bonds (distance) C4'-P energy: -76.589
bonds (distance) P-C4' energy: -90.720
flat angles C4'-P-C4' energy: -102.103
flat angles P-C4'-P energy: -63.911
tors. eta vs tors. theta energy: -110.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1432.453219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.453219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.453219 (E_RNA)
where:
Base-Base interactions energy: -1005.426
where: short stacking energy: -435.216
Base-Backbone interact. energy: 0.226
local terms energy: -427.253459
where:
bonds (distance) C4'-P energy: -91.435
bonds (distance) P-C4' energy: -80.961
flat angles C4'-P-C4' energy: -91.786
flat angles P-C4'-P energy: -55.222
tors. eta vs tors. theta energy: -107.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1365.585418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.585418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.585418 (E_RNA)
where:
Base-Base interactions energy: -906.670
where: short stacking energy: -414.625
Base-Backbone interact. energy: 0.800
local terms energy: -459.716125
where:
bonds (distance) C4'-P energy: -88.179
bonds (distance) P-C4' energy: -84.434
flat angles C4'-P-C4' energy: -95.699
flat angles P-C4'-P energy: -65.992
tors. eta vs tors. theta energy: -125.412
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: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1247.112876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.112876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.112876 (E_RNA)
where:
Base-Base interactions energy: -837.752
where: short stacking energy: -370.473
Base-Backbone interact. energy: 1.335
local terms energy: -410.696179
where:
bonds (distance) C4'-P energy: -79.027
bonds (distance) P-C4' energy: -86.888
flat angles C4'-P-C4' energy: -80.087
flat angles P-C4'-P energy: -68.571
tors. eta vs tors. theta energy: -96.122
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: 463
Temperature: 1.150000
Total energy: -1167.443308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.443308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.443308 (E_RNA)
where:
Base-Base interactions energy: -793.337
where: short stacking energy: -342.134
Base-Backbone interact. energy: -1.034
local terms energy: -373.072045
where:
bonds (distance) C4'-P energy: -77.001
bonds (distance) P-C4' energy: -73.636
flat angles C4'-P-C4' energy: -84.543
flat angles P-C4'-P energy: -59.000
tors. eta vs tors. theta energy: -78.892
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: 463
Temperature: 1.200000
Total energy: -1129.446019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.446019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.446019 (E_RNA)
where:
Base-Base interactions energy: -748.618
where: short stacking energy: -351.011
Base-Backbone interact. energy: 0.492
local terms energy: -381.320665
where:
bonds (distance) C4'-P energy: -79.223
bonds (distance) P-C4' energy: -87.944
flat angles C4'-P-C4' energy: -76.970
flat angles P-C4'-P energy: -55.963
tors. eta vs tors. theta energy: -81.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -981.891261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.891261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.891261 (E_RNA)
where:
Base-Base interactions energy: -653.374
where: short stacking energy: -303.487
Base-Backbone interact. energy: 1.528
local terms energy: -330.045842
where:
bonds (distance) C4'-P energy: -63.570
bonds (distance) P-C4' energy: -81.608
flat angles C4'-P-C4' energy: -81.071
flat angles P-C4'-P energy: -47.650
tors. eta vs tors. theta energy: -56.146
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: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -784.769558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.769558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.769558 (E_RNA)
where:
Base-Base interactions energy: -510.630
where: short stacking energy: -214.526
Base-Backbone interact. energy: 2.162
local terms energy: -276.300996
where:
bonds (distance) C4'-P energy: -63.389
bonds (distance) P-C4' energy: -65.081
flat angles C4'-P-C4' energy: -68.910
flat angles P-C4'-P energy: -52.050
tors. eta vs tors. theta energy: -26.871
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: 463
Temperature: 1.350000
Total energy: -634.806864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.806864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.806864 (E_RNA)
where:
Base-Base interactions energy: -338.634
where: short stacking energy: -165.678
Base-Backbone interact. energy: 0.676
local terms energy: -296.848842
where:
bonds (distance) C4'-P energy: -68.058
bonds (distance) P-C4' energy: -87.516
flat angles C4'-P-C4' energy: -76.301
flat angles P-C4'-P energy: -42.010
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1586.683706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.683706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.683706 (E_RNA)
where:
Base-Base interactions energy: -1097.807
where: short stacking energy: -477.105
Base-Backbone interact. energy: -2.022
local terms energy: -486.854716
where:
bonds (distance) C4'-P energy: -87.794
bonds (distance) P-C4' energy: -85.608
flat angles C4'-P-C4' energy: -110.451
flat angles P-C4'-P energy: -72.736
tors. eta vs tors. theta energy: -130.266
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: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1535.596274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.596274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.596274 (E_RNA)
where:
Base-Base interactions energy: -1096.287
where: short stacking energy: -458.087
Base-Backbone interact. energy: -1.385
local terms energy: -437.924233
where:
bonds (distance) C4'-P energy: -85.101
bonds (distance) P-C4' energy: -89.199
flat angles C4'-P-C4' energy: -96.211
flat angles P-C4'-P energy: -52.809
tors. eta vs tors. theta energy: -114.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1451.444574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.444574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.444574 (E_RNA)
where:
Base-Base interactions energy: -1011.217
where: short stacking energy: -429.787
Base-Backbone interact. energy: -0.607
local terms energy: -439.621329
where:
bonds (distance) C4'-P energy: -86.624
bonds (distance) P-C4' energy: -80.060
flat angles C4'-P-C4' energy: -93.197
flat angles P-C4'-P energy: -61.271
tors. eta vs tors. theta energy: -118.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1395.142368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.142368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.142368 (E_RNA)
where:
Base-Base interactions energy: -953.141
where: short stacking energy: -439.595
Base-Backbone interact. energy: -0.494
local terms energy: -441.507451
where:
bonds (distance) C4'-P energy: -80.835
bonds (distance) P-C4' energy: -78.826
flat angles C4'-P-C4' energy: -96.676
flat angles P-C4'-P energy: -59.575
tors. eta vs tors. theta energy: -125.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1253.474397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.474397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.474397 (E_RNA)
where:
Base-Base interactions energy: -839.164
where: short stacking energy: -345.957
Base-Backbone interact. energy: -0.350
local terms energy: -413.960871
where:
bonds (distance) C4'-P energy: -85.003
bonds (distance) P-C4' energy: -89.398
flat angles C4'-P-C4' energy: -81.602
flat angles P-C4'-P energy: -64.372
tors. eta vs tors. theta energy: -93.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1133.939254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.939254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.939254 (E_RNA)
where:
Base-Base interactions energy: -758.494
where: short stacking energy: -331.961
Base-Backbone interact. energy: 4.418
local terms energy: -379.862973
where:
bonds (distance) C4'-P energy: -94.401
bonds (distance) P-C4' energy: -82.109
flat angles C4'-P-C4' energy: -71.027
flat angles P-C4'-P energy: -62.474
tors. eta vs tors. theta energy: -69.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1116.708516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.708516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.708516 (E_RNA)
where:
Base-Base interactions energy: -734.523
where: short stacking energy: -355.128
Base-Backbone interact. energy: -1.046
local terms energy: -381.139508
where:
bonds (distance) C4'-P energy: -72.076
bonds (distance) P-C4' energy: -86.890
flat angles C4'-P-C4' energy: -73.784
flat angles P-C4'-P energy: -54.945
tors. eta vs tors. theta energy: -93.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -960.481600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.481600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.481600 (E_RNA)
where:
Base-Base interactions energy: -633.947
where: short stacking energy: -292.002
Base-Backbone interact. energy: -1.571
local terms energy: -324.963140
where:
bonds (distance) C4'-P energy: -68.734
bonds (distance) P-C4' energy: -84.070
flat angles C4'-P-C4' energy: -74.949
flat angles P-C4'-P energy: -38.740
tors. eta vs tors. theta energy: -58.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -780.588126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.588126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.588126 (E_RNA)
where:
Base-Base interactions energy: -507.413
where: short stacking energy: -236.310
Base-Backbone interact. energy: 0.799
local terms energy: -273.974027
where:
bonds (distance) C4'-P energy: -56.332
bonds (distance) P-C4' energy: -75.617
flat angles C4'-P-C4' energy: -66.365
flat angles P-C4'-P energy: -44.531
tors. eta vs tors. theta energy: -31.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -600.466565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.466565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.466565 (E_RNA)
where:
Base-Base interactions energy: -351.958
where: short stacking energy: -202.624
Base-Backbone interact. energy: -1.040
local terms energy: -247.468920
where:
bonds (distance) C4'-P energy: -51.292
bonds (distance) P-C4' energy: -49.914
flat angles C4'-P-C4' energy: -72.149
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -28.198
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: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1597.272098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.272098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.272098 (E_RNA)
where:
Base-Base interactions energy: -1106.515
where: short stacking energy: -465.094
Base-Backbone interact. energy: -1.806
local terms energy: -488.950270
where:
bonds (distance) C4'-P energy: -92.274
bonds (distance) P-C4' energy: -93.516
flat angles C4'-P-C4' energy: -104.358
flat angles P-C4'-P energy: -70.526
tors. eta vs tors. theta energy: -128.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1523.654975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.654975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.654975 (E_RNA)
where:
Base-Base interactions energy: -1071.213
where: short stacking energy: -457.851
Base-Backbone interact. energy: -2.121
local terms energy: -450.320669
where:
bonds (distance) C4'-P energy: -72.937
bonds (distance) P-C4' energy: -86.852
flat angles C4'-P-C4' energy: -101.549
flat angles P-C4'-P energy: -67.139
tors. eta vs tors. theta energy: -121.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1458.635934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.635934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.635934 (E_RNA)
where:
Base-Base interactions energy: -1031.881
where: short stacking energy: -423.272
Base-Backbone interact. energy: 2.712
local terms energy: -429.466939
where:
bonds (distance) C4'-P energy: -76.169
bonds (distance) P-C4' energy: -89.780
flat angles C4'-P-C4' energy: -96.167
flat angles P-C4'-P energy: -54.948
tors. eta vs tors. theta energy: -112.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1382.999930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.999930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.999930 (E_RNA)
where:
Base-Base interactions energy: -937.606
where: short stacking energy: -427.511
Base-Backbone interact. energy: -2.242
local terms energy: -443.151395
where:
bonds (distance) C4'-P energy: -87.010
bonds (distance) P-C4' energy: -87.154
flat angles C4'-P-C4' energy: -94.600
flat angles P-C4'-P energy: -64.797
tors. eta vs tors. theta energy: -109.590
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: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1234.572633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.572633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.572633 (E_RNA)
where:
Base-Base interactions energy: -830.297
where: short stacking energy: -358.648
Base-Backbone interact. energy: -2.562
local terms energy: -401.712948
where:
bonds (distance) C4'-P energy: -81.638
bonds (distance) P-C4' energy: -81.616
flat angles C4'-P-C4' energy: -93.168
flat angles P-C4'-P energy: -63.325
tors. eta vs tors. theta energy: -81.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1133.524070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.524070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.524070 (E_RNA)
where:
Base-Base interactions energy: -749.569
where: short stacking energy: -334.738
Base-Backbone interact. energy: -0.346
local terms energy: -383.609111
where:
bonds (distance) C4'-P energy: -94.032
bonds (distance) P-C4' energy: -85.683
flat angles C4'-P-C4' energy: -94.037
flat angles P-C4'-P energy: -41.225
tors. eta vs tors. theta energy: -68.632
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: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1080.899884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.899884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.899884 (E_RNA)
where:
Base-Base interactions energy: -735.083
where: short stacking energy: -342.207
Base-Backbone interact. energy: 2.507
local terms energy: -348.323574
where:
bonds (distance) C4'-P energy: -72.598
bonds (distance) P-C4' energy: -69.981
flat angles C4'-P-C4' energy: -90.088
flat angles P-C4'-P energy: -35.761
tors. eta vs tors. theta energy: -79.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -929.719783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.719783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.719783 (E_RNA)
where:
Base-Base interactions energy: -564.084
where: short stacking energy: -253.465
Base-Backbone interact. energy: 1.791
local terms energy: -367.426179
where:
bonds (distance) C4'-P energy: -82.470
bonds (distance) P-C4' energy: -79.014
flat angles C4'-P-C4' energy: -98.607
flat angles P-C4'-P energy: -56.672
tors. eta vs tors. theta energy: -50.663
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: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -790.068117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.068117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.068117 (E_RNA)
where:
Base-Base interactions energy: -497.961
where: short stacking energy: -206.082
Base-Backbone interact. energy: -1.535
local terms energy: -290.571503
where:
bonds (distance) C4'-P energy: -64.997
bonds (distance) P-C4' energy: -86.340
flat angles C4'-P-C4' energy: -66.383
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -33.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -609.455841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.455841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.455841 (E_RNA)
where:
Base-Base interactions energy: -327.012
where: short stacking energy: -157.555
Base-Backbone interact. energy: 0.337
local terms energy: -282.781269
where:
bonds (distance) C4'-P energy: -71.343
bonds (distance) P-C4' energy: -84.800
flat angles C4'-P-C4' energy: -69.217
flat angles P-C4'-P energy: -51.578
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1593.155935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.155935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.155935 (E_RNA)
where:
Base-Base interactions energy: -1094.634
where: short stacking energy: -473.440
Base-Backbone interact. energy: -2.172
local terms energy: -496.349908
where:
bonds (distance) C4'-P energy: -88.726
bonds (distance) P-C4' energy: -96.392
flat angles C4'-P-C4' energy: -96.093
flat angles P-C4'-P energy: -81.167
tors. eta vs tors. theta energy: -133.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1519.014141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.014141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.014141 (E_RNA)
where:
Base-Base interactions energy: -1062.304
where: short stacking energy: -435.120
Base-Backbone interact. energy: 4.676
local terms energy: -461.385671
where:
bonds (distance) C4'-P energy: -96.235
bonds (distance) P-C4' energy: -89.945
flat angles C4'-P-C4' energy: -100.276
flat angles P-C4'-P energy: -59.624
tors. eta vs tors. theta energy: -115.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1429.635799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.635799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.635799 (E_RNA)
where:
Base-Base interactions energy: -981.303
where: short stacking energy: -421.536
Base-Backbone interact. energy: 1.877
local terms energy: -450.210413
where:
bonds (distance) C4'-P energy: -85.064
bonds (distance) P-C4' energy: -97.369
flat angles C4'-P-C4' energy: -96.738
flat angles P-C4'-P energy: -58.723
tors. eta vs tors. theta energy: -112.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1388.496819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.496819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.496819 (E_RNA)
where:
Base-Base interactions energy: -956.340
where: short stacking energy: -437.584
Base-Backbone interact. energy: -0.903
local terms energy: -431.254562
where:
bonds (distance) C4'-P energy: -79.226
bonds (distance) P-C4' energy: -82.608
flat angles C4'-P-C4' energy: -93.383
flat angles P-C4'-P energy: -54.687
tors. eta vs tors. theta energy: -121.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1288.209683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.209683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.209683 (E_RNA)
where:
Base-Base interactions energy: -852.403
where: short stacking energy: -362.800
Base-Backbone interact. energy: -1.539
local terms energy: -434.267547
where:
bonds (distance) C4'-P energy: -88.808
bonds (distance) P-C4' energy: -88.135
flat angles C4'-P-C4' energy: -94.342
flat angles P-C4'-P energy: -74.388
tors. eta vs tors. theta energy: -88.594
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: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1151.141021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.141021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.141021 (E_RNA)
where:
Base-Base interactions energy: -763.875
where: short stacking energy: -328.805
Base-Backbone interact. energy: -0.228
local terms energy: -387.037408
where:
bonds (distance) C4'-P energy: -90.735
bonds (distance) P-C4' energy: -91.560
flat angles C4'-P-C4' energy: -78.092
flat angles P-C4'-P energy: -45.680
tors. eta vs tors. theta energy: -80.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1147.050327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.050327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.050327 (E_RNA)
where:
Base-Base interactions energy: -769.928
where: short stacking energy: -334.047
Base-Backbone interact. energy: -2.634
local terms energy: -374.488536
where:
bonds (distance) C4'-P energy: -79.527
bonds (distance) P-C4' energy: -72.443
flat angles C4'-P-C4' energy: -96.102
flat angles P-C4'-P energy: -52.775
tors. eta vs tors. theta energy: -73.642
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: 2
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -913.402083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.402083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.402083 (E_RNA)
where:
Base-Base interactions energy: -586.030
where: short stacking energy: -266.732
Base-Backbone interact. energy: -3.464
local terms energy: -323.908347
where:
bonds (distance) C4'-P energy: -83.374
bonds (distance) P-C4' energy: -74.346
flat angles C4'-P-C4' energy: -79.510
flat angles P-C4'-P energy: -47.880
tors. eta vs tors. theta energy: -38.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -627.409161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.409161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.409161 (E_RNA)
where:
Base-Base interactions energy: -339.972
where: short stacking energy: -168.965
Base-Backbone interact. energy: -0.169
local terms energy: -287.267999
where:
bonds (distance) C4'-P energy: -73.916
bonds (distance) P-C4' energy: -76.533
flat angles C4'-P-C4' energy: -86.644
flat angles P-C4'-P energy: -42.819
tors. eta vs tors. theta energy: -7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -702.006060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.006060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.006060 (E_RNA)
where:
Base-Base interactions energy: -425.408
where: short stacking energy: -202.136
Base-Backbone interact. energy: -1.250
local terms energy: -275.347853
where:
bonds (distance) C4'-P energy: -66.652
bonds (distance) P-C4' energy: -87.596
flat angles C4'-P-C4' energy: -59.646
flat angles P-C4'-P energy: -44.209
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1576.179119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.179119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.179119 (E_RNA)
where:
Base-Base interactions energy: -1088.136
where: short stacking energy: -451.056
Base-Backbone interact. energy: -3.188
local terms energy: -484.855117
where:
bonds (distance) C4'-P energy: -95.414
bonds (distance) P-C4' energy: -91.950
flat angles C4'-P-C4' energy: -111.472
flat angles P-C4'-P energy: -60.559
tors. eta vs tors. theta energy: -125.461
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: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1509.699100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.699100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.699100 (E_RNA)
where:
Base-Base interactions energy: -1042.869
where: short stacking energy: -425.824
Base-Backbone interact. energy: -2.206
local terms energy: -464.623636
where:
bonds (distance) C4'-P energy: -83.114
bonds (distance) P-C4' energy: -93.903
flat angles C4'-P-C4' energy: -102.850
flat angles P-C4'-P energy: -69.903
tors. eta vs tors. theta energy: -114.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1449.335087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.335087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.335087 (E_RNA)
where:
Base-Base interactions energy: -1005.483
where: short stacking energy: -430.927
Base-Backbone interact. energy: -0.456
local terms energy: -443.396095
where:
bonds (distance) C4'-P energy: -82.795
bonds (distance) P-C4' energy: -79.815
flat angles C4'-P-C4' energy: -105.285
flat angles P-C4'-P energy: -60.272
tors. eta vs tors. theta energy: -115.229
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: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1403.093698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.093698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.093698 (E_RNA)
where:
Base-Base interactions energy: -966.232
where: short stacking energy: -424.498
Base-Backbone interact. energy: -1.110
local terms energy: -435.751634
where:
bonds (distance) C4'-P energy: -90.792
bonds (distance) P-C4' energy: -82.576
flat angles C4'-P-C4' energy: -94.042
flat angles P-C4'-P energy: -53.596
tors. eta vs tors. theta energy: -114.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1281.586062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.586062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.586062 (E_RNA)
where:
Base-Base interactions energy: -858.732
where: short stacking energy: -372.914
Base-Backbone interact. energy: -2.209
local terms energy: -420.644446
where:
bonds (distance) C4'-P energy: -89.168
bonds (distance) P-C4' energy: -86.087
flat angles C4'-P-C4' energy: -93.056
flat angles P-C4'-P energy: -51.864
tors. eta vs tors. theta energy: -100.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1156.219934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.219934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.219934 (E_RNA)
where:
Base-Base interactions energy: -799.019
where: short stacking energy: -351.400
Base-Backbone interact. energy: -2.475
local terms energy: -354.726242
where:
bonds (distance) C4'-P energy: -66.089
bonds (distance) P-C4' energy: -73.640
flat angles C4'-P-C4' energy: -73.077
flat angles P-C4'-P energy: -59.731
tors. eta vs tors. theta energy: -82.189
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: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1131.999095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.999095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.999095 (E_RNA)
where:
Base-Base interactions energy: -752.485
where: short stacking energy: -334.139
Base-Backbone interact. energy: -2.315
local terms energy: -377.199201
where:
bonds (distance) C4'-P energy: -89.082
bonds (distance) P-C4' energy: -64.871
flat angles C4'-P-C4' energy: -89.399
flat angles P-C4'-P energy: -55.444
tors. eta vs tors. theta energy: -78.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -909.221577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.221577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.221577 (E_RNA)
where:
Base-Base interactions energy: -616.473
where: short stacking energy: -288.245
Base-Backbone interact. energy: 0.449
local terms energy: -293.197656
where:
bonds (distance) C4'-P energy: -56.325
bonds (distance) P-C4' energy: -66.856
flat angles C4'-P-C4' energy: -69.662
flat angles P-C4'-P energy: -48.165
tors. eta vs tors. theta energy: -52.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -608.835871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.835871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.835871 (E_RNA)
where:
Base-Base interactions energy: -330.060
where: short stacking energy: -177.112
Base-Backbone interact. energy: 0.699
local terms energy: -279.474404
where:
bonds (distance) C4'-P energy: -84.322
bonds (distance) P-C4' energy: -68.767
flat angles C4'-P-C4' energy: -61.059
flat angles P-C4'-P energy: -52.384
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -700.572139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.572139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.572139 (E_RNA)
where:
Base-Base interactions energy: -455.919
where: short stacking energy: -208.472
Base-Backbone interact. energy: -1.660
local terms energy: -242.992523
where:
bonds (distance) C4'-P energy: -60.368
bonds (distance) P-C4' energy: -53.813
flat angles C4'-P-C4' energy: -77.044
flat angles P-C4'-P energy: -33.843
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1579.669989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.669989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.669989 (E_RNA)
where:
Base-Base interactions energy: -1098.321
where: short stacking energy: -467.374
Base-Backbone interact. energy: 1.890
local terms energy: -483.239152
where:
bonds (distance) C4'-P energy: -87.809
bonds (distance) P-C4' energy: -93.521
flat angles C4'-P-C4' energy: -109.800
flat angles P-C4'-P energy: -67.786
tors. eta vs tors. theta energy: -124.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1531.914655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.914655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.914655 (E_RNA)
where:
Base-Base interactions energy: -1077.543
where: short stacking energy: -442.081
Base-Backbone interact. energy: -1.079
local terms energy: -453.292992
where:
bonds (distance) C4'-P energy: -88.003
bonds (distance) P-C4' energy: -90.311
flat angles C4'-P-C4' energy: -89.760
flat angles P-C4'-P energy: -66.147
tors. eta vs tors. theta energy: -119.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1456.363030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.363030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.363030 (E_RNA)
where:
Base-Base interactions energy: -1026.950
where: short stacking energy: -426.253
Base-Backbone interact. energy: -2.740
local terms energy: -426.673011
where:
bonds (distance) C4'-P energy: -89.660
bonds (distance) P-C4' energy: -74.223
flat angles C4'-P-C4' energy: -97.933
flat angles P-C4'-P energy: -56.277
tors. eta vs tors. theta energy: -108.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1419.485166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.485166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.485166 (E_RNA)
where:
Base-Base interactions energy: -955.852
where: short stacking energy: -415.066
Base-Backbone interact. energy: 0.281
local terms energy: -463.913578
where:
bonds (distance) C4'-P energy: -84.556
bonds (distance) P-C4' energy: -88.895
flat angles C4'-P-C4' energy: -100.230
flat angles P-C4'-P energy: -62.829
tors. eta vs tors. theta energy: -127.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1319.187743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.187743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.187743 (E_RNA)
where:
Base-Base interactions energy: -886.040
where: short stacking energy: -409.501
Base-Backbone interact. energy: -1.469
local terms energy: -431.678744
where:
bonds (distance) C4'-P energy: -79.330
bonds (distance) P-C4' energy: -81.838
flat angles C4'-P-C4' energy: -101.555
flat angles P-C4'-P energy: -58.253
tors. eta vs tors. theta energy: -110.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1143.565512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.565512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.565512 (E_RNA)
where:
Base-Base interactions energy: -785.729
where: short stacking energy: -352.613
Base-Backbone interact. energy: -2.223
local terms energy: -355.613617
where:
bonds (distance) C4'-P energy: -64.910
bonds (distance) P-C4' energy: -78.544
flat angles C4'-P-C4' energy: -79.427
flat angles P-C4'-P energy: -54.316
tors. eta vs tors. theta energy: -78.417
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: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1084.573835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.573835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.573835 (E_RNA)
where:
Base-Base interactions energy: -718.078
where: short stacking energy: -344.005
Base-Backbone interact. energy: -0.575
local terms energy: -365.920343
where:
bonds (distance) C4'-P energy: -70.526
bonds (distance) P-C4' energy: -61.908
flat angles C4'-P-C4' energy: -83.693
flat angles P-C4'-P energy: -63.817
tors. eta vs tors. theta energy: -85.976
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: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -930.656189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.656189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.656189 (E_RNA)
where:
Base-Base interactions energy: -612.160
where: short stacking energy: -264.930
Base-Backbone interact. energy: 3.044
local terms energy: -321.540934
where:
bonds (distance) C4'-P energy: -75.999
bonds (distance) P-C4' energy: -77.611
flat angles C4'-P-C4' energy: -77.865
flat angles P-C4'-P energy: -43.292
tors. eta vs tors. theta energy: -46.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -701.239914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.239914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.239914 (E_RNA)
where:
Base-Base interactions energy: -408.448
where: short stacking energy: -189.115
Base-Backbone interact. energy: 0.688
local terms energy: -293.480373
where:
bonds (distance) C4'-P energy: -78.505
bonds (distance) P-C4' energy: -81.020
flat angles C4'-P-C4' energy: -65.317
flat angles P-C4'-P energy: -42.537
tors. eta vs tors. theta energy: -26.102
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: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -632.585803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.585803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.585803 (E_RNA)
where:
Base-Base interactions energy: -349.255
where: short stacking energy: -166.608
Base-Backbone interact. energy: -2.992
local terms energy: -280.338661
where:
bonds (distance) C4'-P energy: -70.865
bonds (distance) P-C4' energy: -92.395
flat angles C4'-P-C4' energy: -64.148
flat angles P-C4'-P energy: -31.187
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1607.520578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.520578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.520578 (E_RNA)
where:
Base-Base interactions energy: -1116.363
where: short stacking energy: -466.140
Base-Backbone interact. energy: -1.018
local terms energy: -490.138869
where:
bonds (distance) C4'-P energy: -89.989
bonds (distance) P-C4' energy: -83.521
flat angles C4'-P-C4' energy: -107.460
flat angles P-C4'-P energy: -76.751
tors. eta vs tors. theta energy: -132.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1529.197937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.197937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.197937 (E_RNA)
where:
Base-Base interactions energy: -1083.682
where: short stacking energy: -447.410
Base-Backbone interact. energy: -0.501
local terms energy: -445.015018
where:
bonds (distance) C4'-P energy: -95.411
bonds (distance) P-C4' energy: -75.461
flat angles C4'-P-C4' energy: -103.341
flat angles P-C4'-P energy: -47.003
tors. eta vs tors. theta energy: -123.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1451.793024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.793024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.793024 (E_RNA)
where:
Base-Base interactions energy: -1007.683
where: short stacking energy: -440.469
Base-Backbone interact. energy: -0.766
local terms energy: -443.344116
where:
bonds (distance) C4'-P energy: -86.342
bonds (distance) P-C4' energy: -91.121
flat angles C4'-P-C4' energy: -92.516
flat angles P-C4'-P energy: -55.616
tors. eta vs tors. theta energy: -117.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1378.130290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.130290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.130290 (E_RNA)
where:
Base-Base interactions energy: -908.732
where: short stacking energy: -412.769
Base-Backbone interact. energy: -1.922
local terms energy: -467.475924
where:
bonds (distance) C4'-P energy: -90.078
bonds (distance) P-C4' energy: -88.919
flat angles C4'-P-C4' energy: -103.474
flat angles P-C4'-P energy: -60.329
tors. eta vs tors. theta energy: -124.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1292.830536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.830536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.830536 (E_RNA)
where:
Base-Base interactions energy: -856.991
where: short stacking energy: -406.486
Base-Backbone interact. energy: -2.085
local terms energy: -433.754318
where:
bonds (distance) C4'-P energy: -78.350
bonds (distance) P-C4' energy: -81.719
flat angles C4'-P-C4' energy: -97.800
flat angles P-C4'-P energy: -66.399
tors. eta vs tors. theta energy: -109.486
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: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1208.205468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.205468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.205468 (E_RNA)
where:
Base-Base interactions energy: -832.937
where: short stacking energy: -351.960
Base-Backbone interact. energy: -0.767
local terms energy: -374.501472
where:
bonds (distance) C4'-P energy: -75.377
bonds (distance) P-C4' energy: -84.875
flat angles C4'-P-C4' energy: -78.344
flat angles P-C4'-P energy: -59.398
tors. eta vs tors. theta energy: -76.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1089.175649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.175649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.175649 (E_RNA)
where:
Base-Base interactions energy: -707.253
where: short stacking energy: -311.827
Base-Backbone interact. energy: -2.253
local terms energy: -379.670180
where:
bonds (distance) C4'-P energy: -76.622
bonds (distance) P-C4' energy: -87.136
flat angles C4'-P-C4' energy: -85.789
flat angles P-C4'-P energy: -54.236
tors. eta vs tors. theta energy: -75.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -994.650606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.650606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.650606 (E_RNA)
where:
Base-Base interactions energy: -643.923
where: short stacking energy: -285.868
Base-Backbone interact. energy: -1.281
local terms energy: -349.446591
where:
bonds (distance) C4'-P energy: -82.541
bonds (distance) P-C4' energy: -77.032
flat angles C4'-P-C4' energy: -79.322
flat angles P-C4'-P energy: -46.399
tors. eta vs tors. theta energy: -64.153
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: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -694.925170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.925170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.925170 (E_RNA)
where:
Base-Base interactions energy: -395.074
where: short stacking energy: -200.546
Base-Backbone interact. energy: -3.126
local terms energy: -296.724933
where:
bonds (distance) C4'-P energy: -81.293
bonds (distance) P-C4' energy: -91.128
flat angles C4'-P-C4' energy: -63.407
flat angles P-C4'-P energy: -37.981
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -586.680618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.680618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.680618 (E_RNA)
where:
Base-Base interactions energy: -326.443
where: short stacking energy: -164.851
Base-Backbone interact. energy: -0.050
local terms energy: -260.187179
where:
bonds (distance) C4'-P energy: -77.461
bonds (distance) P-C4' energy: -80.348
flat angles C4'-P-C4' energy: -71.252
flat angles P-C4'-P energy: -30.222
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1576.033347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.033347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.033347 (E_RNA)
where:
Base-Base interactions energy: -1101.454
where: short stacking energy: -456.306
Base-Backbone interact. energy: -4.606
local terms energy: -469.973203
where:
bonds (distance) C4'-P energy: -93.088
bonds (distance) P-C4' energy: -87.094
flat angles C4'-P-C4' energy: -91.617
flat angles P-C4'-P energy: -73.733
tors. eta vs tors. theta energy: -124.441
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: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1528.774297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.774297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.774297 (E_RNA)
where:
Base-Base interactions energy: -1074.017
where: short stacking energy: -441.185
Base-Backbone interact. energy: -1.253
local terms energy: -453.503416
where:
bonds (distance) C4'-P energy: -84.345
bonds (distance) P-C4' energy: -94.652
flat angles C4'-P-C4' energy: -95.413
flat angles P-C4'-P energy: -69.395
tors. eta vs tors. theta energy: -109.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1432.707199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.707199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.707199 (E_RNA)
where:
Base-Base interactions energy: -973.582
where: short stacking energy: -440.701
Base-Backbone interact. energy: -2.350
local terms energy: -456.774855
where:
bonds (distance) C4'-P energy: -83.180
bonds (distance) P-C4' energy: -82.704
flat angles C4'-P-C4' energy: -92.418
flat angles P-C4'-P energy: -67.967
tors. eta vs tors. theta energy: -130.506
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: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1366.542348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.542348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.542348 (E_RNA)
where:
Base-Base interactions energy: -943.116
where: short stacking energy: -403.225
Base-Backbone interact. energy: -2.656
local terms energy: -420.769925
where:
bonds (distance) C4'-P energy: -84.421
bonds (distance) P-C4' energy: -92.454
flat angles C4'-P-C4' energy: -93.777
flat angles P-C4'-P energy: -52.547
tors. eta vs tors. theta energy: -97.571
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: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1225.022622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.022622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.022622 (E_RNA)
where:
Base-Base interactions energy: -845.351
where: short stacking energy: -365.327
Base-Backbone interact. energy: 2.174
local terms energy: -381.845983
where:
bonds (distance) C4'-P energy: -87.534
bonds (distance) P-C4' energy: -67.767
flat angles C4'-P-C4' energy: -90.410
flat angles P-C4'-P energy: -48.981
tors. eta vs tors. theta energy: -87.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1211.245946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.245946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.245946 (E_RNA)
where:
Base-Base interactions energy: -802.182
where: short stacking energy: -344.789
Base-Backbone interact. energy: 1.088
local terms energy: -410.152511
where:
bonds (distance) C4'-P energy: -83.216
bonds (distance) P-C4' energy: -86.579
flat angles C4'-P-C4' energy: -95.587
flat angles P-C4'-P energy: -45.744
tors. eta vs tors. theta energy: -99.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1067.282817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.282817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.282817 (E_RNA)
where:
Base-Base interactions energy: -710.243
where: short stacking energy: -307.797
Base-Backbone interact. energy: 0.776
local terms energy: -357.815429
where:
bonds (distance) C4'-P energy: -79.471
bonds (distance) P-C4' energy: -84.090
flat angles C4'-P-C4' energy: -62.012
flat angles P-C4'-P energy: -66.575
tors. eta vs tors. theta energy: -65.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1007.557111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.557111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.557111 (E_RNA)
where:
Base-Base interactions energy: -650.625
where: short stacking energy: -288.709
Base-Backbone interact. energy: 3.940
local terms energy: -360.871489
where:
bonds (distance) C4'-P energy: -80.920
bonds (distance) P-C4' energy: -78.745
flat angles C4'-P-C4' energy: -75.989
flat angles P-C4'-P energy: -53.076
tors. eta vs tors. theta energy: -72.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -758.109044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.109044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.109044 (E_RNA)
where:
Base-Base interactions energy: -445.193
where: short stacking energy: -195.979
Base-Backbone interact. energy: -2.501
local terms energy: -310.414543
where:
bonds (distance) C4'-P energy: -89.121
bonds (distance) P-C4' energy: -74.033
flat angles C4'-P-C4' energy: -79.386
flat angles P-C4'-P energy: -31.118
tors. eta vs tors. theta energy: -36.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -585.913287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.913287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.913287 (E_RNA)
where:
Base-Base interactions energy: -329.005
where: short stacking energy: -160.653
Base-Backbone interact. energy: -0.194
local terms energy: -256.714216
where:
bonds (distance) C4'-P energy: -58.738
bonds (distance) P-C4' energy: -82.043
flat angles C4'-P-C4' energy: -69.527
flat angles P-C4'-P energy: -48.352
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: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1588.147169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.147169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.147169 (E_RNA)
where:
Base-Base interactions energy: -1094.490
where: short stacking energy: -477.461
Base-Backbone interact. energy: -1.110
local terms energy: -492.547039
where:
bonds (distance) C4'-P energy: -91.651
bonds (distance) P-C4' energy: -97.916
flat angles C4'-P-C4' energy: -104.073
flat angles P-C4'-P energy: -70.077
tors. eta vs tors. theta energy: -128.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1523.225024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.225024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.225024 (E_RNA)
where:
Base-Base interactions energy: -1070.363
where: short stacking energy: -457.995
Base-Backbone interact. energy: 0.486
local terms energy: -453.348135
where:
bonds (distance) C4'-P energy: -92.477
bonds (distance) P-C4' energy: -103.085
flat angles C4'-P-C4' energy: -91.544
flat angles P-C4'-P energy: -50.556
tors. eta vs tors. theta energy: -115.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1413.960251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.960251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.960251 (E_RNA)
where:
Base-Base interactions energy: -955.213
where: short stacking energy: -429.746
Base-Backbone interact. energy: -3.103
local terms energy: -455.643566
where:
bonds (distance) C4'-P energy: -79.916
bonds (distance) P-C4' energy: -99.469
flat angles C4'-P-C4' energy: -86.980
flat angles P-C4'-P energy: -63.660
tors. eta vs tors. theta energy: -125.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1395.842698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.842698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.842698 (E_RNA)
where:
Base-Base interactions energy: -959.515
where: short stacking energy: -396.240
Base-Backbone interact. energy: -2.730
local terms energy: -433.598151
where:
bonds (distance) C4'-P energy: -94.395
bonds (distance) P-C4' energy: -73.678
flat angles C4'-P-C4' energy: -93.961
flat angles P-C4'-P energy: -65.779
tors. eta vs tors. theta energy: -105.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1214.350927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.350927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.350927 (E_RNA)
where:
Base-Base interactions energy: -812.853
where: short stacking energy: -349.828
Base-Backbone interact. energy: -1.673
local terms energy: -399.824610
where:
bonds (distance) C4'-P energy: -86.741
bonds (distance) P-C4' energy: -80.183
flat angles C4'-P-C4' energy: -76.753
flat angles P-C4'-P energy: -64.985
tors. eta vs tors. theta energy: -91.163
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: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1215.851965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.851965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.851965 (E_RNA)
where:
Base-Base interactions energy: -826.952
where: short stacking energy: -361.251
Base-Backbone interact. energy: 2.646
local terms energy: -391.545858
where:
bonds (distance) C4'-P energy: -82.440
bonds (distance) P-C4' energy: -89.362
flat angles C4'-P-C4' energy: -74.958
flat angles P-C4'-P energy: -58.038
tors. eta vs tors. theta energy: -86.748
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: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1118.039926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.039926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.039926 (E_RNA)
where:
Base-Base interactions energy: -765.685
where: short stacking energy: -333.385
Base-Backbone interact. energy: -1.744
local terms energy: -350.610777
where:
bonds (distance) C4'-P energy: -72.686
bonds (distance) P-C4' energy: -88.119
flat angles C4'-P-C4' energy: -75.815
flat angles P-C4'-P energy: -56.060
tors. eta vs tors. theta energy: -57.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -980.653788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.653788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.653788 (E_RNA)
where:
Base-Base interactions energy: -659.731
where: short stacking energy: -280.111
Base-Backbone interact. energy: 7.770
local terms energy: -328.693012
where:
bonds (distance) C4'-P energy: -64.462
bonds (distance) P-C4' energy: -89.370
flat angles C4'-P-C4' energy: -74.206
flat angles P-C4'-P energy: -52.150
tors. eta vs tors. theta energy: -48.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -748.978935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.978935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.978935 (E_RNA)
where:
Base-Base interactions energy: -448.101
where: short stacking energy: -210.799
Base-Backbone interact. energy: 2.385
local terms energy: -303.262888
where:
bonds (distance) C4'-P energy: -82.996
bonds (distance) P-C4' energy: -70.253
flat angles C4'-P-C4' energy: -77.376
flat angles P-C4'-P energy: -46.240
tors. eta vs tors. theta energy: -26.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -638.850540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.850540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.850540 (E_RNA)
where:
Base-Base interactions energy: -394.834
where: short stacking energy: -198.687
Base-Backbone interact. energy: -0.984
local terms energy: -243.032304
where:
bonds (distance) C4'-P energy: -60.730
bonds (distance) P-C4' energy: -76.669
flat angles C4'-P-C4' energy: -59.425
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: -19.184
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: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1590.903603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.903603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.903603 (E_RNA)
where:
Base-Base interactions energy: -1101.504
where: short stacking energy: -471.678
Base-Backbone interact. energy: -2.454
local terms energy: -486.945872
where:
bonds (distance) C4'-P energy: -87.362
bonds (distance) P-C4' energy: -95.992
flat angles C4'-P-C4' energy: -92.974
flat angles P-C4'-P energy: -72.730
tors. eta vs tors. theta energy: -137.887
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: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1526.190173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.190173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.190173 (E_RNA)
where:
Base-Base interactions energy: -1075.129
where: short stacking energy: -451.114
Base-Backbone interact. energy: -1.167
local terms energy: -449.894639
where:
bonds (distance) C4'-P energy: -81.050
bonds (distance) P-C4' energy: -89.034
flat angles C4'-P-C4' energy: -94.191
flat angles P-C4'-P energy: -66.489
tors. eta vs tors. theta energy: -119.131
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: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1470.501235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.501235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.501235 (E_RNA)
where:
Base-Base interactions energy: -1018.521
where: short stacking energy: -443.389
Base-Backbone interact. energy: -2.524
local terms energy: -449.455924
where:
bonds (distance) C4'-P energy: -82.473
bonds (distance) P-C4' energy: -90.164
flat angles C4'-P-C4' energy: -102.006
flat angles P-C4'-P energy: -63.512
tors. eta vs tors. theta energy: -111.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1351.435247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.435247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.435247 (E_RNA)
where:
Base-Base interactions energy: -910.203
where: short stacking energy: -406.448
Base-Backbone interact. energy: -0.172
local terms energy: -441.059337
where:
bonds (distance) C4'-P energy: -74.045
bonds (distance) P-C4' energy: -83.053
flat angles C4'-P-C4' energy: -102.879
flat angles P-C4'-P energy: -60.566
tors. eta vs tors. theta energy: -120.517
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: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1240.232796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.232796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.232796 (E_RNA)
where:
Base-Base interactions energy: -852.181
where: short stacking energy: -381.925
Base-Backbone interact. energy: -1.882
local terms energy: -386.169377
where:
bonds (distance) C4'-P energy: -77.620
bonds (distance) P-C4' energy: -79.250
flat angles C4'-P-C4' energy: -85.729
flat angles P-C4'-P energy: -54.365
tors. eta vs tors. theta energy: -89.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1216.914082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.914082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.914082 (E_RNA)
where:
Base-Base interactions energy: -818.499
where: short stacking energy: -351.066
Base-Backbone interact. energy: -2.885
local terms energy: -395.529517
where:
bonds (distance) C4'-P energy: -73.633
bonds (distance) P-C4' energy: -83.981
flat angles C4'-P-C4' energy: -85.183
flat angles P-C4'-P energy: -62.147
tors. eta vs tors. theta energy: -90.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1102.650081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.650081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.650081 (E_RNA)
where:
Base-Base interactions energy: -703.935
where: short stacking energy: -302.557
Base-Backbone interact. energy: -0.327
local terms energy: -398.387171
where:
bonds (distance) C4'-P energy: -89.837
bonds (distance) P-C4' energy: -95.678
flat angles C4'-P-C4' energy: -89.463
flat angles P-C4'-P energy: -53.087
tors. eta vs tors. theta energy: -70.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1014.514551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.514551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.514551 (E_RNA)
where:
Base-Base interactions energy: -660.234
where: short stacking energy: -295.768
Base-Backbone interact. energy: 1.330
local terms energy: -355.610481
where:
bonds (distance) C4'-P energy: -60.320
bonds (distance) P-C4' energy: -77.334
flat angles C4'-P-C4' energy: -95.406
flat angles P-C4'-P energy: -52.614
tors. eta vs tors. theta energy: -69.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -724.089222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.089222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.089222 (E_RNA)
where:
Base-Base interactions energy: -447.870
where: short stacking energy: -222.471
Base-Backbone interact. energy: 3.116
local terms energy: -279.335244
where:
bonds (distance) C4'-P energy: -74.970
bonds (distance) P-C4' energy: -67.056
flat angles C4'-P-C4' energy: -68.213
flat angles P-C4'-P energy: -41.185
tors. eta vs tors. theta energy: -27.911
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: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -599.160063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.160063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.160063 (E_RNA)
where:
Base-Base interactions energy: -331.527
where: short stacking energy: -161.444
Base-Backbone interact. energy: -0.608
local terms energy: -267.024647
where:
bonds (distance) C4'-P energy: -67.629
bonds (distance) P-C4' energy: -86.774
flat angles C4'-P-C4' energy: -55.851
flat angles P-C4'-P energy: -43.164
tors. eta vs tors. theta energy: -13.608
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: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1596.286239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.286239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.286239 (E_RNA)
where:
Base-Base interactions energy: -1106.106
where: short stacking energy: -470.203
Base-Backbone interact. energy: -2.684
local terms energy: -487.495637
where:
bonds (distance) C4'-P energy: -93.146
bonds (distance) P-C4' energy: -90.185
flat angles C4'-P-C4' energy: -102.424
flat angles P-C4'-P energy: -67.620
tors. eta vs tors. theta energy: -134.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1536.222691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.222691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.222691 (E_RNA)
where:
Base-Base interactions energy: -1087.028
where: short stacking energy: -478.423
Base-Backbone interact. energy: -2.228
local terms energy: -446.966551
where:
bonds (distance) C4'-P energy: -93.165
bonds (distance) P-C4' energy: -80.660
flat angles C4'-P-C4' energy: -94.230
flat angles P-C4'-P energy: -55.546
tors. eta vs tors. theta energy: -123.365
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: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1462.258867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.258867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.258867 (E_RNA)
where:
Base-Base interactions energy: -1006.069
where: short stacking energy: -422.826
Base-Backbone interact. energy: -2.857
local terms energy: -453.333538
where:
bonds (distance) C4'-P energy: -79.930
bonds (distance) P-C4' energy: -95.298
flat angles C4'-P-C4' energy: -99.675
flat angles P-C4'-P energy: -64.660
tors. eta vs tors. theta energy: -113.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1372.145607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.145607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.145607 (E_RNA)
where:
Base-Base interactions energy: -945.905
where: short stacking energy: -416.395
Base-Backbone interact. energy: 1.830
local terms energy: -428.071377
where:
bonds (distance) C4'-P energy: -94.124
bonds (distance) P-C4' energy: -78.991
flat angles C4'-P-C4' energy: -82.468
flat angles P-C4'-P energy: -54.934
tors. eta vs tors. theta energy: -117.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1259.189184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.189184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.189184 (E_RNA)
where:
Base-Base interactions energy: -847.241
where: short stacking energy: -368.334
Base-Backbone interact. energy: -1.949
local terms energy: -409.999479
where:
bonds (distance) C4'-P energy: -82.887
bonds (distance) P-C4' energy: -73.748
flat angles C4'-P-C4' energy: -94.455
flat angles P-C4'-P energy: -61.646
tors. eta vs tors. theta energy: -97.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1171.715415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.715415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.715415 (E_RNA)
where:
Base-Base interactions energy: -783.831
where: short stacking energy: -361.297
Base-Backbone interact. energy: 1.828
local terms energy: -389.712663
where:
bonds (distance) C4'-P energy: -76.819
bonds (distance) P-C4' energy: -82.674
flat angles C4'-P-C4' energy: -90.270
flat angles P-C4'-P energy: -47.417
tors. eta vs tors. theta energy: -92.532
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: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1215.579666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.579666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.579666 (E_RNA)
where:
Base-Base interactions energy: -854.167
where: short stacking energy: -350.284
Base-Backbone interact. energy: -3.166
local terms energy: -358.247039
where:
bonds (distance) C4'-P energy: -64.003
bonds (distance) P-C4' energy: -82.416
flat angles C4'-P-C4' energy: -84.102
flat angles P-C4'-P energy: -52.409
tors. eta vs tors. theta energy: -75.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1014.098243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.098243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.098243 (E_RNA)
where:
Base-Base interactions energy: -642.302
where: short stacking energy: -305.168
Base-Backbone interact. energy: -1.364
local terms energy: -370.432254
where:
bonds (distance) C4'-P energy: -72.546
bonds (distance) P-C4' energy: -89.531
flat angles C4'-P-C4' energy: -90.335
flat angles P-C4'-P energy: -49.027
tors. eta vs tors. theta energy: -68.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -741.764451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.764451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.764451 (E_RNA)
where:
Base-Base interactions energy: -458.126
where: short stacking energy: -223.290
Base-Backbone interact. energy: 1.497
local terms energy: -285.135433
where:
bonds (distance) C4'-P energy: -65.517
bonds (distance) P-C4' energy: -92.139
flat angles C4'-P-C4' energy: -77.173
flat angles P-C4'-P energy: -24.487
tors. eta vs tors. theta energy: -25.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -597.548384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.548384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.548384 (E_RNA)
where:
Base-Base interactions energy: -342.217
where: short stacking energy: -162.945
Base-Backbone interact. energy: -0.300
local terms energy: -255.031615
where:
bonds (distance) C4'-P energy: -67.339
bonds (distance) P-C4' energy: -71.380
flat angles C4'-P-C4' energy: -73.154
flat angles P-C4'-P energy: -40.220
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1592.321618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.321618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.321618 (E_RNA)
where:
Base-Base interactions energy: -1101.606
where: short stacking energy: -445.601
Base-Backbone interact. energy: -3.346
local terms energy: -487.369431
where:
bonds (distance) C4'-P energy: -90.236
bonds (distance) P-C4' energy: -99.579
flat angles C4'-P-C4' energy: -98.098
flat angles P-C4'-P energy: -66.236
tors. eta vs tors. theta energy: -133.220
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: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1548.045578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.045578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.045578 (E_RNA)
where:
Base-Base interactions energy: -1079.200
where: short stacking energy: -456.692
Base-Backbone interact. energy: -4.191
local terms energy: -464.654486
where:
bonds (distance) C4'-P energy: -82.683
bonds (distance) P-C4' energy: -88.360
flat angles C4'-P-C4' energy: -101.122
flat angles P-C4'-P energy: -70.117
tors. eta vs tors. theta energy: -122.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1461.911641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.911641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.911641 (E_RNA)
where:
Base-Base interactions energy: -1033.852
where: short stacking energy: -433.010
Base-Backbone interact. energy: -2.196
local terms energy: -425.863273
where:
bonds (distance) C4'-P energy: -90.469
bonds (distance) P-C4' energy: -83.645
flat angles C4'-P-C4' energy: -90.598
flat angles P-C4'-P energy: -48.810
tors. eta vs tors. theta energy: -112.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1383.307601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.307601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.307601 (E_RNA)
where:
Base-Base interactions energy: -931.950
where: short stacking energy: -403.798
Base-Backbone interact. energy: -1.719
local terms energy: -449.639141
where:
bonds (distance) C4'-P energy: -96.387
bonds (distance) P-C4' energy: -82.692
flat angles C4'-P-C4' energy: -93.212
flat angles P-C4'-P energy: -63.401
tors. eta vs tors. theta energy: -113.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1184.515623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.515623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.515623 (E_RNA)
where:
Base-Base interactions energy: -790.311
where: short stacking energy: -349.560
Base-Backbone interact. energy: -2.138
local terms energy: -392.066155
where:
bonds (distance) C4'-P energy: -79.408
bonds (distance) P-C4' energy: -80.969
flat angles C4'-P-C4' energy: -87.553
flat angles P-C4'-P energy: -62.416
tors. eta vs tors. theta energy: -81.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1202.804387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.804387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.804387 (E_RNA)
where:
Base-Base interactions energy: -805.760
where: short stacking energy: -342.631
Base-Backbone interact. energy: -1.964
local terms energy: -395.079825
where:
bonds (distance) C4'-P energy: -67.744
bonds (distance) P-C4' energy: -81.170
flat angles C4'-P-C4' energy: -95.602
flat angles P-C4'-P energy: -59.985
tors. eta vs tors. theta energy: -90.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1096.680193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.680193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.680193 (E_RNA)
where:
Base-Base interactions energy: -752.352
where: short stacking energy: -315.143
Base-Backbone interact. energy: -1.062
local terms energy: -343.266442
where:
bonds (distance) C4'-P energy: -73.458
bonds (distance) P-C4' energy: -78.646
flat angles C4'-P-C4' energy: -77.546
flat angles P-C4'-P energy: -39.756
tors. eta vs tors. theta energy: -73.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -944.812008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.812008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.812008 (E_RNA)
where:
Base-Base interactions energy: -614.052
where: short stacking energy: -279.559
Base-Backbone interact. energy: -0.613
local terms energy: -330.146830
where:
bonds (distance) C4'-P energy: -67.919
bonds (distance) P-C4' energy: -80.130
flat angles C4'-P-C4' energy: -83.552
flat angles P-C4'-P energy: -45.484
tors. eta vs tors. theta energy: -53.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -739.213044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.213044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.213044 (E_RNA)
where:
Base-Base interactions energy: -430.628
where: short stacking energy: -204.258
Base-Backbone interact. energy: -0.179
local terms energy: -308.406388
where:
bonds (distance) C4'-P energy: -84.391
bonds (distance) P-C4' energy: -91.081
flat angles C4'-P-C4' energy: -63.332
flat angles P-C4'-P energy: -38.411
tors. eta vs tors. theta energy: -31.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -626.415752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.415752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.415752 (E_RNA)
where:
Base-Base interactions energy: -359.023
where: short stacking energy: -187.087
Base-Backbone interact. energy: -1.890
local terms energy: -265.502496
where:
bonds (distance) C4'-P energy: -75.023
bonds (distance) P-C4' energy: -63.254
flat angles C4'-P-C4' energy: -71.854
flat angles P-C4'-P energy: -39.301
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1576.662679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.662679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.662679 (E_RNA)
where:
Base-Base interactions energy: -1088.735
where: short stacking energy: -458.027
Base-Backbone interact. energy: -2.577
local terms energy: -485.350318
where:
bonds (distance) C4'-P energy: -98.685
bonds (distance) P-C4' energy: -92.981
flat angles C4'-P-C4' energy: -99.370
flat angles P-C4'-P energy: -74.427
tors. eta vs tors. theta energy: -119.887
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: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1538.306859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.306859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.306859 (E_RNA)
where:
Base-Base interactions energy: -1064.094
where: short stacking energy: -480.219
Base-Backbone interact. energy: -2.940
local terms energy: -471.272547
where:
bonds (distance) C4'-P energy: -95.266
bonds (distance) P-C4' energy: -87.851
flat angles C4'-P-C4' energy: -94.727
flat angles P-C4'-P energy: -57.630
tors. eta vs tors. theta energy: -135.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1448.500130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.500130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.500130 (E_RNA)
where:
Base-Base interactions energy: -1022.680
where: short stacking energy: -425.813
Base-Backbone interact. energy: -3.732
local terms energy: -422.088466
where:
bonds (distance) C4'-P energy: -82.744
bonds (distance) P-C4' energy: -77.741
flat angles C4'-P-C4' energy: -92.197
flat angles P-C4'-P energy: -48.315
tors. eta vs tors. theta energy: -121.092
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: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1380.865122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.865122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.865122 (E_RNA)
where:
Base-Base interactions energy: -922.551
where: short stacking energy: -418.725
Base-Backbone interact. energy: 1.972
local terms energy: -460.286208
where:
bonds (distance) C4'-P energy: -88.644
bonds (distance) P-C4' energy: -86.944
flat angles C4'-P-C4' energy: -94.987
flat angles P-C4'-P energy: -65.420
tors. eta vs tors. theta energy: -124.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1217.372630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.372630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.372630 (E_RNA)
where:
Base-Base interactions energy: -802.324
where: short stacking energy: -358.332
Base-Backbone interact. energy: 1.037
local terms energy: -416.086200
where:
bonds (distance) C4'-P energy: -80.519
bonds (distance) P-C4' energy: -92.843
flat angles C4'-P-C4' energy: -94.659
flat angles P-C4'-P energy: -60.843
tors. eta vs tors. theta energy: -87.222
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: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1165.572771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.572771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.572771 (E_RNA)
where:
Base-Base interactions energy: -783.676
where: short stacking energy: -326.988
Base-Backbone interact. energy: -0.085
local terms energy: -381.811910
where:
bonds (distance) C4'-P energy: -69.116
bonds (distance) P-C4' energy: -76.324
flat angles C4'-P-C4' energy: -99.480
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: -73.269
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: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1149.536191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.536191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.536191 (E_RNA)
where:
Base-Base interactions energy: -787.908
where: short stacking energy: -340.617
Base-Backbone interact. energy: 4.944
local terms energy: -366.572090
where:
bonds (distance) C4'-P energy: -83.108
bonds (distance) P-C4' energy: -75.609
flat angles C4'-P-C4' energy: -84.098
flat angles P-C4'-P energy: -60.667
tors. eta vs tors. theta energy: -63.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -956.922844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.922844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.922844 (E_RNA)
where:
Base-Base interactions energy: -636.846
where: short stacking energy: -276.884
Base-Backbone interact. energy: -2.373
local terms energy: -317.703501
where:
bonds (distance) C4'-P energy: -67.168
bonds (distance) P-C4' energy: -73.417
flat angles C4'-P-C4' energy: -85.113
flat angles P-C4'-P energy: -43.734
tors. eta vs tors. theta energy: -48.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -780.421126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.421126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.421126 (E_RNA)
where:
Base-Base interactions energy: -480.301
where: short stacking energy: -227.776
Base-Backbone interact. energy: 3.170
local terms energy: -303.289787
where:
bonds (distance) C4'-P energy: -76.284
bonds (distance) P-C4' energy: -66.657
flat angles C4'-P-C4' energy: -72.466
flat angles P-C4'-P energy: -44.751
tors. eta vs tors. theta energy: -43.133
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: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -676.186924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.186924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.186924 (E_RNA)
where:
Base-Base interactions energy: -405.946
where: short stacking energy: -208.601
Base-Backbone interact. energy: -0.752
local terms energy: -269.488460
where:
bonds (distance) C4'-P energy: -74.065
bonds (distance) P-C4' energy: -80.915
flat angles C4'-P-C4' energy: -53.394
flat angles P-C4'-P energy: -44.489
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1599.563781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.563781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.563781 (E_RNA)
where:
Base-Base interactions energy: -1103.036
where: short stacking energy: -455.826
Base-Backbone interact. energy: -1.573
local terms energy: -494.954841
where:
bonds (distance) C4'-P energy: -93.956
bonds (distance) P-C4' energy: -90.387
flat angles C4'-P-C4' energy: -102.092
flat angles P-C4'-P energy: -76.701
tors. eta vs tors. theta energy: -131.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1497.957019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.957019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.957019 (E_RNA)
where:
Base-Base interactions energy: -1016.877
where: short stacking energy: -431.561
Base-Backbone interact. energy: -1.452
local terms energy: -479.627236
where:
bonds (distance) C4'-P energy: -90.078
bonds (distance) P-C4' energy: -102.100
flat angles C4'-P-C4' energy: -100.433
flat angles P-C4'-P energy: -60.190
tors. eta vs tors. theta energy: -126.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1483.364769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.364769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.364769 (E_RNA)
where:
Base-Base interactions energy: -1033.490
where: short stacking energy: -456.831
Base-Backbone interact. energy: -4.914
local terms energy: -444.961156
where:
bonds (distance) C4'-P energy: -81.937
bonds (distance) P-C4' energy: -94.221
flat angles C4'-P-C4' energy: -96.744
flat angles P-C4'-P energy: -47.947
tors. eta vs tors. theta energy: -124.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1358.685100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.685100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.685100 (E_RNA)
where:
Base-Base interactions energy: -926.551
where: short stacking energy: -422.112
Base-Backbone interact. energy: -0.470
local terms energy: -431.663951
where:
bonds (distance) C4'-P energy: -83.917
bonds (distance) P-C4' energy: -79.914
flat angles C4'-P-C4' energy: -86.172
flat angles P-C4'-P energy: -69.265
tors. eta vs tors. theta energy: -112.396
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: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1162.948980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.948980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.948980 (E_RNA)
where:
Base-Base interactions energy: -773.962
where: short stacking energy: -330.176
Base-Backbone interact. energy: -1.465
local terms energy: -387.522048
where:
bonds (distance) C4'-P energy: -80.966
bonds (distance) P-C4' energy: -90.127
flat angles C4'-P-C4' energy: -89.622
flat angles P-C4'-P energy: -51.909
tors. eta vs tors. theta energy: -74.898
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: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1192.083415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.083415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.083415 (E_RNA)
where:
Base-Base interactions energy: -807.431
where: short stacking energy: -361.549
Base-Backbone interact. energy: 0.652
local terms energy: -385.304105
where:
bonds (distance) C4'-P energy: -84.206
bonds (distance) P-C4' energy: -77.328
flat angles C4'-P-C4' energy: -83.535
flat angles P-C4'-P energy: -48.806
tors. eta vs tors. theta energy: -91.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1108.993396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.993396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.993396 (E_RNA)
where:
Base-Base interactions energy: -731.098
where: short stacking energy: -324.683
Base-Backbone interact. energy: -2.456
local terms energy: -375.439713
where:
bonds (distance) C4'-P energy: -90.289
bonds (distance) P-C4' energy: -86.693
flat angles C4'-P-C4' energy: -75.450
flat angles P-C4'-P energy: -59.860
tors. eta vs tors. theta energy: -63.148
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: 2
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -929.081281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.081281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.081281 (E_RNA)
where:
Base-Base interactions energy: -570.451
where: short stacking energy: -265.732
Base-Backbone interact. energy: -0.882
local terms energy: -357.747754
where:
bonds (distance) C4'-P energy: -90.866
bonds (distance) P-C4' energy: -84.356
flat angles C4'-P-C4' energy: -71.178
flat angles P-C4'-P energy: -59.258
tors. eta vs tors. theta energy: -52.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -774.416005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.416005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.416005 (E_RNA)
where:
Base-Base interactions energy: -488.956
where: short stacking energy: -224.830
Base-Backbone interact. energy: 1.777
local terms energy: -287.237207
where:
bonds (distance) C4'-P energy: -77.555
bonds (distance) P-C4' energy: -66.075
flat angles C4'-P-C4' energy: -74.305
flat angles P-C4'-P energy: -42.334
tors. eta vs tors. theta energy: -26.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -618.272185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.272185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.272185 (E_RNA)
where:
Base-Base interactions energy: -348.708
where: short stacking energy: -181.508
Base-Backbone interact. energy: -0.704
local terms energy: -268.859801
where:
bonds (distance) C4'-P energy: -68.115
bonds (distance) P-C4' energy: -88.720
flat angles C4'-P-C4' energy: -60.098
flat angles P-C4'-P energy: -38.039
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: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1588.331528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.331528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.331528 (E_RNA)
where:
Base-Base interactions energy: -1103.809
where: short stacking energy: -482.763
Base-Backbone interact. energy: 1.240
local terms energy: -485.761893
where:
bonds (distance) C4'-P energy: -82.106
bonds (distance) P-C4' energy: -91.441
flat angles C4'-P-C4' energy: -102.864
flat angles P-C4'-P energy: -74.376
tors. eta vs tors. theta energy: -134.975
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: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1497.110447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.110447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.110447 (E_RNA)
where:
Base-Base interactions energy: -1039.782
where: short stacking energy: -442.000
Base-Backbone interact. energy: 0.112
local terms energy: -457.440915
where:
bonds (distance) C4'-P energy: -87.097
bonds (distance) P-C4' energy: -97.030
flat angles C4'-P-C4' energy: -100.548
flat angles P-C4'-P energy: -51.752
tors. eta vs tors. theta energy: -121.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1484.959248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.959248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.959248 (E_RNA)
where:
Base-Base interactions energy: -1043.333
where: short stacking energy: -441.430
Base-Backbone interact. energy: -1.629
local terms energy: -439.997017
where:
bonds (distance) C4'-P energy: -77.528
bonds (distance) P-C4' energy: -86.070
flat angles C4'-P-C4' energy: -91.043
flat angles P-C4'-P energy: -69.215
tors. eta vs tors. theta energy: -116.141
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: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1425.176869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.176869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.176869 (E_RNA)
where:
Base-Base interactions energy: -969.246
where: short stacking energy: -435.955
Base-Backbone interact. energy: -1.217
local terms energy: -454.714033
where:
bonds (distance) C4'-P energy: -80.398
bonds (distance) P-C4' energy: -88.973
flat angles C4'-P-C4' energy: -84.242
flat angles P-C4'-P energy: -65.489
tors. eta vs tors. theta energy: -135.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1257.947040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.947040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.947040 (E_RNA)
where:
Base-Base interactions energy: -816.127
where: short stacking energy: -400.309
Base-Backbone interact. energy: -0.442
local terms energy: -441.377308
where:
bonds (distance) C4'-P energy: -80.527
bonds (distance) P-C4' energy: -87.441
flat angles C4'-P-C4' energy: -91.999
flat angles P-C4'-P energy: -66.028
tors. eta vs tors. theta energy: -115.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1188.103492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.103492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.103492 (E_RNA)
where:
Base-Base interactions energy: -795.849
where: short stacking energy: -353.400
Base-Backbone interact. energy: -2.635
local terms energy: -389.619532
where:
bonds (distance) C4'-P energy: -75.375
bonds (distance) P-C4' energy: -91.774
flat angles C4'-P-C4' energy: -93.055
flat angles P-C4'-P energy: -46.533
tors. eta vs tors. theta energy: -82.883
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: 9
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1119.991230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.991230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.991230 (E_RNA)
where:
Base-Base interactions energy: -772.053
where: short stacking energy: -316.483
Base-Backbone interact. energy: 0.564
local terms energy: -348.502753
where:
bonds (distance) C4'-P energy: -68.929
bonds (distance) P-C4' energy: -85.336
flat angles C4'-P-C4' energy: -76.172
flat angles P-C4'-P energy: -58.541
tors. eta vs tors. theta energy: -59.525
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: 8, replica: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -987.665656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.665656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.665656 (E_RNA)
where:
Base-Base interactions energy: -623.877
where: short stacking energy: -288.770
Base-Backbone interact. energy: -0.260
local terms energy: -363.528136
where:
bonds (distance) C4'-P energy: -69.743
bonds (distance) P-C4' energy: -84.915
flat angles C4'-P-C4' energy: -95.223
flat angles P-C4'-P energy: -49.614
tors. eta vs tors. theta energy: -64.033
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: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -812.561866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.561866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.561866 (E_RNA)
where:
Base-Base interactions energy: -509.967
where: short stacking energy: -242.808
Base-Backbone interact. energy: 0.654
local terms energy: -303.249037
where:
bonds (distance) C4'-P energy: -80.569
bonds (distance) P-C4' energy: -88.786
flat angles C4'-P-C4' energy: -59.266
flat angles P-C4'-P energy: -42.438
tors. eta vs tors. theta energy: -32.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -600.071604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.071604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.071604 (E_RNA)
where:
Base-Base interactions energy: -320.642
where: short stacking energy: -170.290
Base-Backbone interact. energy: 1.481
local terms energy: -280.910679
where:
bonds (distance) C4'-P energy: -71.956
bonds (distance) P-C4' energy: -82.183
flat angles C4'-P-C4' energy: -61.699
flat angles P-C4'-P energy: -48.447
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1589.444545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.444545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.444545 (E_RNA)
where:
Base-Base interactions energy: -1098.696
where: short stacking energy: -469.694
Base-Backbone interact. energy: -1.288
local terms energy: -489.460836
where:
bonds (distance) C4'-P energy: -86.942
bonds (distance) P-C4' energy: -96.310
flat angles C4'-P-C4' energy: -105.601
flat angles P-C4'-P energy: -71.797
tors. eta vs tors. theta energy: -128.811
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: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1514.013389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.013389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.013389 (E_RNA)
where:
Base-Base interactions energy: -1063.041
where: short stacking energy: -447.105
Base-Backbone interact. energy: 0.487
local terms energy: -451.459713
where:
bonds (distance) C4'-P energy: -75.129
bonds (distance) P-C4' energy: -92.987
flat angles C4'-P-C4' energy: -101.266
flat angles P-C4'-P energy: -61.495
tors. eta vs tors. theta energy: -120.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1504.572501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.572501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.572501 (E_RNA)
where:
Base-Base interactions energy: -1057.756
where: short stacking energy: -453.837
Base-Backbone interact. energy: 1.367
local terms energy: -448.182867
where:
bonds (distance) C4'-P energy: -85.606
bonds (distance) P-C4' energy: -88.211
flat angles C4'-P-C4' energy: -92.386
flat angles P-C4'-P energy: -61.486
tors. eta vs tors. theta energy: -120.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1383.532185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.532185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.532185 (E_RNA)
where:
Base-Base interactions energy: -937.007
where: short stacking energy: -425.664
Base-Backbone interact. energy: 1.845
local terms energy: -448.370247
where:
bonds (distance) C4'-P energy: -86.805
bonds (distance) P-C4' energy: -92.857
flat angles C4'-P-C4' energy: -88.535
flat angles P-C4'-P energy: -59.904
tors. eta vs tors. theta energy: -120.270
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: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1263.150865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.150865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.150865 (E_RNA)
where:
Base-Base interactions energy: -862.855
where: short stacking energy: -391.884
Base-Backbone interact. energy: -1.186
local terms energy: -399.110308
where:
bonds (distance) C4'-P energy: -88.701
bonds (distance) P-C4' energy: -69.057
flat angles C4'-P-C4' energy: -79.993
flat angles P-C4'-P energy: -54.183
tors. eta vs tors. theta energy: -107.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1191.123000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.123000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.123000 (E_RNA)
where:
Base-Base interactions energy: -794.904
where: short stacking energy: -354.509
Base-Backbone interact. energy: -2.640
local terms energy: -393.578872
where:
bonds (distance) C4'-P energy: -63.590
bonds (distance) P-C4' energy: -94.567
flat angles C4'-P-C4' energy: -96.163
flat angles P-C4'-P energy: -54.362
tors. eta vs tors. theta energy: -84.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1144.638292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.638292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.638292 (E_RNA)
where:
Base-Base interactions energy: -766.867
where: short stacking energy: -353.279
Base-Backbone interact. energy: 1.393
local terms energy: -379.163779
where:
bonds (distance) C4'-P energy: -74.953
bonds (distance) P-C4' energy: -82.244
flat angles C4'-P-C4' energy: -89.632
flat angles P-C4'-P energy: -61.806
tors. eta vs tors. theta energy: -70.528
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: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -968.607136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.607136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.607136 (E_RNA)
where:
Base-Base interactions energy: -660.458
where: short stacking energy: -300.714
Base-Backbone interact. energy: 4.122
local terms energy: -312.271548
where:
bonds (distance) C4'-P energy: -72.826
bonds (distance) P-C4' energy: -76.179
flat angles C4'-P-C4' energy: -72.383
flat angles P-C4'-P energy: -44.279
tors. eta vs tors. theta energy: -46.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -768.050783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.050783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.050783 (E_RNA)
where:
Base-Base interactions energy: -499.911
where: short stacking energy: -223.942
Base-Backbone interact. energy: 1.707
local terms energy: -269.846818
where:
bonds (distance) C4'-P energy: -66.062
bonds (distance) P-C4' energy: -63.266
flat angles C4'-P-C4' energy: -78.358
flat angles P-C4'-P energy: -29.862
tors. eta vs tors. theta energy: -32.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -630.801321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.801321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.801321 (E_RNA)
where:
Base-Base interactions energy: -383.311
where: short stacking energy: -183.092
Base-Backbone interact. energy: 2.650
local terms energy: -250.139941
where:
bonds (distance) C4'-P energy: -77.342
bonds (distance) P-C4' energy: -80.816
flat angles C4'-P-C4' energy: -40.178
flat angles P-C4'-P energy: -30.074
tors. eta vs tors. theta energy: -21.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1582.399749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.399749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.399749 (E_RNA)
where:
Base-Base interactions energy: -1089.585
where: short stacking energy: -450.311
Base-Backbone interact. energy: -0.493
local terms energy: -492.321801
where:
bonds (distance) C4'-P energy: -96.193
bonds (distance) P-C4' energy: -89.227
flat angles C4'-P-C4' energy: -108.864
flat angles P-C4'-P energy: -66.148
tors. eta vs tors. theta energy: -131.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1550.102377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.102377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.102377 (E_RNA)
where:
Base-Base interactions energy: -1092.439
where: short stacking energy: -448.405
Base-Backbone interact. energy: -2.213
local terms energy: -455.450609
where:
bonds (distance) C4'-P energy: -81.823
bonds (distance) P-C4' energy: -98.966
flat angles C4'-P-C4' energy: -92.613
flat angles P-C4'-P energy: -60.265
tors. eta vs tors. theta energy: -121.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1477.979517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.979517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.979517 (E_RNA)
where:
Base-Base interactions energy: -1042.073
where: short stacking energy: -446.971
Base-Backbone interact. energy: 2.542
local terms energy: -438.448250
where:
bonds (distance) C4'-P energy: -76.007
bonds (distance) P-C4' energy: -91.222
flat angles C4'-P-C4' energy: -95.792
flat angles P-C4'-P energy: -58.057
tors. eta vs tors. theta energy: -117.370
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: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1371.964910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.964910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.964910 (E_RNA)
where:
Base-Base interactions energy: -946.509
where: short stacking energy: -418.648
Base-Backbone interact. energy: -1.435
local terms energy: -424.021130
where:
bonds (distance) C4'-P energy: -78.630
bonds (distance) P-C4' energy: -80.062
flat angles C4'-P-C4' energy: -98.527
flat angles P-C4'-P energy: -53.092
tors. eta vs tors. theta energy: -113.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1211.101180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.101180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.101180 (E_RNA)
where:
Base-Base interactions energy: -807.891
where: short stacking energy: -386.677
Base-Backbone interact. energy: -2.707
local terms energy: -400.502895
where:
bonds (distance) C4'-P energy: -83.844
bonds (distance) P-C4' energy: -67.157
flat angles C4'-P-C4' energy: -98.225
flat angles P-C4'-P energy: -56.635
tors. eta vs tors. theta energy: -94.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1164.411266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.411266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.411266 (E_RNA)
where:
Base-Base interactions energy: -781.648
where: short stacking energy: -341.857
Base-Backbone interact. energy: -1.590
local terms energy: -381.173501
where:
bonds (distance) C4'-P energy: -77.864
bonds (distance) P-C4' energy: -88.447
flat angles C4'-P-C4' energy: -81.426
flat angles P-C4'-P energy: -48.733
tors. eta vs tors. theta energy: -84.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1168.503685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.503685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.503685 (E_RNA)
where:
Base-Base interactions energy: -781.179
where: short stacking energy: -354.147
Base-Backbone interact. energy: -2.781
local terms energy: -384.543682
where:
bonds (distance) C4'-P energy: -63.867
bonds (distance) P-C4' energy: -78.667
flat angles C4'-P-C4' energy: -86.200
flat angles P-C4'-P energy: -63.385
tors. eta vs tors. theta energy: -92.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -966.576201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.576201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.576201 (E_RNA)
where:
Base-Base interactions energy: -611.963
where: short stacking energy: -285.385
Base-Backbone interact. energy: 0.536
local terms energy: -355.149537
where:
bonds (distance) C4'-P energy: -71.792
bonds (distance) P-C4' energy: -70.685
flat angles C4'-P-C4' energy: -78.011
flat angles P-C4'-P energy: -63.953
tors. eta vs tors. theta energy: -70.709
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: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -845.413403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.413403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.413403 (E_RNA)
where:
Base-Base interactions energy: -545.345
where: short stacking energy: -255.355
Base-Backbone interact. energy: 1.840
local terms energy: -301.908708
where:
bonds (distance) C4'-P energy: -67.561
bonds (distance) P-C4' energy: -83.121
flat angles C4'-P-C4' energy: -78.409
flat angles P-C4'-P energy: -42.269
tors. eta vs tors. theta energy: -30.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -651.301286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.301286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.301286 (E_RNA)
where:
Base-Base interactions energy: -361.936
where: short stacking energy: -159.914
Base-Backbone interact. energy: 5.431
local terms energy: -294.796223
where:
bonds (distance) C4'-P energy: -83.730
bonds (distance) P-C4' energy: -93.162
flat angles C4'-P-C4' energy: -80.589
flat angles P-C4'-P energy: -35.306
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: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1629.506287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.506287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.506287 (E_RNA)
where:
Base-Base interactions energy: -1128.036
where: short stacking energy: -498.367
Base-Backbone interact. energy: -1.993
local terms energy: -499.477135
where:
bonds (distance) C4'-P energy: -96.225
bonds (distance) P-C4' energy: -97.981
flat angles C4'-P-C4' energy: -106.823
flat angles P-C4'-P energy: -68.543
tors. eta vs tors. theta energy: -129.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1513.039625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.039625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.039625 (E_RNA)
where:
Base-Base interactions energy: -1046.075
where: short stacking energy: -440.856
Base-Backbone interact. energy: 1.912
local terms energy: -468.876990
where:
bonds (distance) C4'-P energy: -78.425
bonds (distance) P-C4' energy: -92.622
flat angles C4'-P-C4' energy: -99.347
flat angles P-C4'-P energy: -73.205
tors. eta vs tors. theta energy: -125.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1480.641889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.641889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.641889 (E_RNA)
where:
Base-Base interactions energy: -1041.568
where: short stacking energy: -445.154
Base-Backbone interact. energy: 1.080
local terms energy: -440.153457
where:
bonds (distance) C4'-P energy: -81.751
bonds (distance) P-C4' energy: -69.090
flat angles C4'-P-C4' energy: -102.865
flat angles P-C4'-P energy: -61.111
tors. eta vs tors. theta energy: -125.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1386.368444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.368444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.368444 (E_RNA)
where:
Base-Base interactions energy: -943.150
where: short stacking energy: -430.523
Base-Backbone interact. energy: -1.738
local terms energy: -441.480530
where:
bonds (distance) C4'-P energy: -75.990
bonds (distance) P-C4' energy: -94.826
flat angles C4'-P-C4' energy: -100.020
flat angles P-C4'-P energy: -53.685
tors. eta vs tors. theta energy: -116.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1229.109534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.109534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.109534 (E_RNA)
where:
Base-Base interactions energy: -807.856
where: short stacking energy: -386.526
Base-Backbone interact. energy: -1.687
local terms energy: -419.566753
where:
bonds (distance) C4'-P energy: -85.818
bonds (distance) P-C4' energy: -79.864
flat angles C4'-P-C4' energy: -92.398
flat angles P-C4'-P energy: -58.761
tors. eta vs tors. theta energy: -102.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1163.952619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.952619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.952619 (E_RNA)
where:
Base-Base interactions energy: -773.758
where: short stacking energy: -348.740
Base-Backbone interact. energy: -0.964
local terms energy: -389.230734
where:
bonds (distance) C4'-P energy: -81.895
bonds (distance) P-C4' energy: -71.856
flat angles C4'-P-C4' energy: -94.923
flat angles P-C4'-P energy: -64.151
tors. eta vs tors. theta energy: -76.406
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: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1133.350733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.350733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.350733 (E_RNA)
where:
Base-Base interactions energy: -751.438
where: short stacking energy: -317.763
Base-Backbone interact. energy: -0.746
local terms energy: -381.167265
where:
bonds (distance) C4'-P energy: -94.887
bonds (distance) P-C4' energy: -86.788
flat angles C4'-P-C4' energy: -76.910
flat angles P-C4'-P energy: -50.515
tors. eta vs tors. theta energy: -72.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -958.268075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.268075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.268075 (E_RNA)
where:
Base-Base interactions energy: -636.723
where: short stacking energy: -285.351
Base-Backbone interact. energy: 1.328
local terms energy: -322.873073
where:
bonds (distance) C4'-P energy: -80.384
bonds (distance) P-C4' energy: -71.141
flat angles C4'-P-C4' energy: -84.651
flat angles P-C4'-P energy: -32.405
tors. eta vs tors. theta energy: -54.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -813.814866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.814866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.814866 (E_RNA)
where:
Base-Base interactions energy: -536.128
where: short stacking energy: -229.051
Base-Backbone interact. energy: -1.844
local terms energy: -275.843086
where:
bonds (distance) C4'-P energy: -63.074
bonds (distance) P-C4' energy: -72.283
flat angles C4'-P-C4' energy: -70.711
flat angles P-C4'-P energy: -42.777
tors. eta vs tors. theta energy: -26.998
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: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -645.555886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.555886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.555886 (E_RNA)
where:
Base-Base interactions energy: -379.684
where: short stacking energy: -190.012
Base-Backbone interact. energy: -0.402
local terms energy: -265.470115
where:
bonds (distance) C4'-P energy: -65.275
bonds (distance) P-C4' energy: -77.864
flat angles C4'-P-C4' energy: -74.135
flat angles P-C4'-P energy: -36.288
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1603.553303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.553303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.553303 (E_RNA)
where:
Base-Base interactions energy: -1128.606
where: short stacking energy: -471.100
Base-Backbone interact. energy: -4.408
local terms energy: -470.539567
where:
bonds (distance) C4'-P energy: -83.611
bonds (distance) P-C4' energy: -95.497
flat angles C4'-P-C4' energy: -98.335
flat angles P-C4'-P energy: -64.427
tors. eta vs tors. theta energy: -128.670
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: 481
Temperature: 0.950000
Total energy: -1540.933529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.933529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.933529 (E_RNA)
where:
Base-Base interactions energy: -1085.142
where: short stacking energy: -447.751
Base-Backbone interact. energy: -5.673
local terms energy: -450.117781
where:
bonds (distance) C4'-P energy: -77.305
bonds (distance) P-C4' energy: -82.367
flat angles C4'-P-C4' energy: -97.737
flat angles P-C4'-P energy: -77.551
tors. eta vs tors. theta energy: -115.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1463.485243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.485243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.485243 (E_RNA)
where:
Base-Base interactions energy: -1031.977
where: short stacking energy: -449.753
Base-Backbone interact. energy: -3.551
local terms energy: -427.956869
where:
bonds (distance) C4'-P energy: -66.538
bonds (distance) P-C4' energy: -85.231
flat angles C4'-P-C4' energy: -100.856
flat angles P-C4'-P energy: -56.489
tors. eta vs tors. theta energy: -118.844
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: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1365.896115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.896115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.896115 (E_RNA)
where:
Base-Base interactions energy: -927.576
where: short stacking energy: -422.433
Base-Backbone interact. energy: -1.216
local terms energy: -437.104152
where:
bonds (distance) C4'-P energy: -76.115
bonds (distance) P-C4' energy: -79.318
flat angles C4'-P-C4' energy: -98.945
flat angles P-C4'-P energy: -66.841
tors. eta vs tors. theta energy: -115.885
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: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1253.743911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.743911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.743911 (E_RNA)
where:
Base-Base interactions energy: -817.252
where: short stacking energy: -381.746
Base-Backbone interact. energy: 0.338
local terms energy: -436.829553
where:
bonds (distance) C4'-P energy: -90.903
bonds (distance) P-C4' energy: -86.172
flat angles C4'-P-C4' energy: -91.433
flat angles P-C4'-P energy: -64.259
tors. eta vs tors. theta energy: -104.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1149.052731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.052731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.052731 (E_RNA)
where:
Base-Base interactions energy: -790.471
where: short stacking energy: -363.018
Base-Backbone interact. energy: 0.443
local terms energy: -359.024066
where:
bonds (distance) C4'-P energy: -66.423
bonds (distance) P-C4' energy: -66.476
flat angles C4'-P-C4' energy: -82.513
flat angles P-C4'-P energy: -55.294
tors. eta vs tors. theta energy: -88.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1128.286995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.286995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.286995 (E_RNA)
where:
Base-Base interactions energy: -747.415
where: short stacking energy: -338.918
Base-Backbone interact. energy: -3.330
local terms energy: -377.542090
where:
bonds (distance) C4'-P energy: -72.355
bonds (distance) P-C4' energy: -86.630
flat angles C4'-P-C4' energy: -89.477
flat angles P-C4'-P energy: -55.257
tors. eta vs tors. theta energy: -73.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -947.619183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.619183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.619183 (E_RNA)
where:
Base-Base interactions energy: -644.323
where: short stacking energy: -282.412
Base-Backbone interact. energy: 5.574
local terms energy: -308.870058
where:
bonds (distance) C4'-P energy: -50.387
bonds (distance) P-C4' energy: -88.535
flat angles C4'-P-C4' energy: -72.239
flat angles P-C4'-P energy: -45.907
tors. eta vs tors. theta energy: -51.803
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: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -841.838674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.838674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.838674 (E_RNA)
where:
Base-Base interactions energy: -541.626
where: short stacking energy: -239.081
Base-Backbone interact. energy: 0.812
local terms energy: -301.024081
where:
bonds (distance) C4'-P energy: -70.005
bonds (distance) P-C4' energy: -69.929
flat angles C4'-P-C4' energy: -76.957
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -37.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -672.619703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.619703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.619703 (E_RNA)
where:
Base-Base interactions energy: -394.395
where: short stacking energy: -181.098
Base-Backbone interact. energy: 1.376
local terms energy: -279.600907
where:
bonds (distance) C4'-P energy: -66.233
bonds (distance) P-C4' energy: -66.328
flat angles C4'-P-C4' energy: -77.662
flat angles P-C4'-P energy: -36.369
tors. eta vs tors. theta energy: -33.009
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: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1593.014995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.014995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.014995 (E_RNA)
where:
Base-Base interactions energy: -1118.324
where: short stacking energy: -461.863
Base-Backbone interact. energy: -1.973
local terms energy: -472.717394
where:
bonds (distance) C4'-P energy: -93.518
bonds (distance) P-C4' energy: -91.914
flat angles C4'-P-C4' energy: -92.130
flat angles P-C4'-P energy: -64.814
tors. eta vs tors. theta energy: -130.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1547.470672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.470672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.470672 (E_RNA)
where:
Base-Base interactions energy: -1056.873
where: short stacking energy: -448.485
Base-Backbone interact. energy: 0.506
local terms energy: -491.104065
where:
bonds (distance) C4'-P energy: -85.929
bonds (distance) P-C4' energy: -100.079
flat angles C4'-P-C4' energy: -100.899
flat angles P-C4'-P energy: -75.334
tors. eta vs tors. theta energy: -128.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1492.689575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.689575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.689575 (E_RNA)
where:
Base-Base interactions energy: -1041.912
where: short stacking energy: -438.706
Base-Backbone interact. energy: -1.349
local terms energy: -449.428543
where:
bonds (distance) C4'-P energy: -79.078
bonds (distance) P-C4' energy: -90.473
flat angles C4'-P-C4' energy: -98.761
flat angles P-C4'-P energy: -63.175
tors. eta vs tors. theta energy: -117.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1421.301342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.301342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.301342 (E_RNA)
where:
Base-Base interactions energy: -965.297
where: short stacking energy: -433.469
Base-Backbone interact. energy: 2.181
local terms energy: -458.184784
where:
bonds (distance) C4'-P energy: -82.418
bonds (distance) P-C4' energy: -79.636
flat angles C4'-P-C4' energy: -102.942
flat angles P-C4'-P energy: -64.042
tors. eta vs tors. theta energy: -129.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1214.036872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.036872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.036872 (E_RNA)
where:
Base-Base interactions energy: -800.562
where: short stacking energy: -363.634
Base-Backbone interact. energy: 0.136
local terms energy: -413.611196
where:
bonds (distance) C4'-P energy: -79.363
bonds (distance) P-C4' energy: -82.665
flat angles C4'-P-C4' energy: -94.342
flat angles P-C4'-P energy: -55.375
tors. eta vs tors. theta energy: -101.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1212.902487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.902487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.902487 (E_RNA)
where:
Base-Base interactions energy: -828.898
where: short stacking energy: -357.474
Base-Backbone interact. energy: 0.964
local terms energy: -384.968649
where:
bonds (distance) C4'-P energy: -73.442
bonds (distance) P-C4' energy: -82.941
flat angles C4'-P-C4' energy: -81.618
flat angles P-C4'-P energy: -60.795
tors. eta vs tors. theta energy: -86.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1122.599152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.599152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.599152 (E_RNA)
where:
Base-Base interactions energy: -754.647
where: short stacking energy: -336.012
Base-Backbone interact. energy: -1.966
local terms energy: -365.985882
where:
bonds (distance) C4'-P energy: -76.257
bonds (distance) P-C4' energy: -74.814
flat angles C4'-P-C4' energy: -82.929
flat angles P-C4'-P energy: -56.765
tors. eta vs tors. theta energy: -75.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -938.184720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.184720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.184720 (E_RNA)
where:
Base-Base interactions energy: -601.244
where: short stacking energy: -279.416
Base-Backbone interact. energy: 0.650
local terms energy: -337.590489
where:
bonds (distance) C4'-P energy: -70.349
bonds (distance) P-C4' energy: -80.733
flat angles C4'-P-C4' energy: -75.704
flat angles P-C4'-P energy: -60.605
tors. eta vs tors. theta energy: -50.198
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: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -889.922018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.922018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.922018 (E_RNA)
where:
Base-Base interactions energy: -555.620
where: short stacking energy: -241.876
Base-Backbone interact. energy: -0.333
local terms energy: -333.969055
where:
bonds (distance) C4'-P energy: -79.726
bonds (distance) P-C4' energy: -72.156
flat angles C4'-P-C4' energy: -85.148
flat angles P-C4'-P energy: -50.148
tors. eta vs tors. theta energy: -46.790
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: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -643.433342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.433342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.433342 (E_RNA)
where:
Base-Base interactions energy: -380.325
where: short stacking energy: -176.638
Base-Backbone interact. energy: -0.974
local terms energy: -262.133822
where:
bonds (distance) C4'-P energy: -60.772
bonds (distance) P-C4' energy: -88.412
flat angles C4'-P-C4' energy: -75.088
flat angles P-C4'-P energy: -26.571
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1600.056870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.056870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.056870 (E_RNA)
where:
Base-Base interactions energy: -1109.077
where: short stacking energy: -474.246
Base-Backbone interact. energy: -4.773
local terms energy: -486.206928
where:
bonds (distance) C4'-P energy: -88.554
bonds (distance) P-C4' energy: -92.089
flat angles C4'-P-C4' energy: -110.130
flat angles P-C4'-P energy: -62.788
tors. eta vs tors. theta energy: -132.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1555.031315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.031315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.031315 (E_RNA)
where:
Base-Base interactions energy: -1093.796
where: short stacking energy: -442.690
Base-Backbone interact. energy: -6.250
local terms energy: -454.985817
where:
bonds (distance) C4'-P energy: -81.030
bonds (distance) P-C4' energy: -101.268
flat angles C4'-P-C4' energy: -101.891
flat angles P-C4'-P energy: -53.263
tors. eta vs tors. theta energy: -117.534
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: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1477.777683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.777683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.777683 (E_RNA)
where:
Base-Base interactions energy: -1031.078
where: short stacking energy: -441.049
Base-Backbone interact. energy: -4.416
local terms energy: -442.283106
where:
bonds (distance) C4'-P energy: -89.101
bonds (distance) P-C4' energy: -83.517
flat angles C4'-P-C4' energy: -99.580
flat angles P-C4'-P energy: -54.286
tors. eta vs tors. theta energy: -115.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1401.287824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.287824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.287824 (E_RNA)
where:
Base-Base interactions energy: -946.799
where: short stacking energy: -417.676
Base-Backbone interact. energy: -0.262
local terms energy: -454.227597
where:
bonds (distance) C4'-P energy: -93.549
bonds (distance) P-C4' energy: -74.213
flat angles C4'-P-C4' energy: -98.872
flat angles P-C4'-P energy: -65.819
tors. eta vs tors. theta energy: -121.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1245.856692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.856692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.856692 (E_RNA)
where:
Base-Base interactions energy: -834.818
where: short stacking energy: -388.196
Base-Backbone interact. energy: -0.864
local terms energy: -410.174761
where:
bonds (distance) C4'-P energy: -70.915
bonds (distance) P-C4' energy: -71.944
flat angles C4'-P-C4' energy: -101.147
flat angles P-C4'-P energy: -58.725
tors. eta vs tors. theta energy: -107.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1187.202430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.202430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.202430 (E_RNA)
where:
Base-Base interactions energy: -797.322
where: short stacking energy: -335.059
Base-Backbone interact. energy: 5.276
local terms energy: -395.156797
where:
bonds (distance) C4'-P energy: -74.461
bonds (distance) P-C4' energy: -92.503
flat angles C4'-P-C4' energy: -97.166
flat angles P-C4'-P energy: -52.352
tors. eta vs tors. theta energy: -78.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1074.327810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.327810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.327810 (E_RNA)
where:
Base-Base interactions energy: -698.357
where: short stacking energy: -329.277
Base-Backbone interact. energy: 0.250
local terms energy: -376.220861
where:
bonds (distance) C4'-P energy: -78.438
bonds (distance) P-C4' energy: -81.427
flat angles C4'-P-C4' energy: -91.443
flat angles P-C4'-P energy: -50.442
tors. eta vs tors. theta energy: -74.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -951.911394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.911394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.911394 (E_RNA)
where:
Base-Base interactions energy: -617.911
where: short stacking energy: -293.419
Base-Backbone interact. energy: -1.876
local terms energy: -332.124859
where:
bonds (distance) C4'-P energy: -79.133
bonds (distance) P-C4' energy: -76.741
flat angles C4'-P-C4' energy: -78.734
flat angles P-C4'-P energy: -42.460
tors. eta vs tors. theta energy: -55.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -796.437119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.437119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.437119 (E_RNA)
where:
Base-Base interactions energy: -523.000
where: short stacking energy: -237.795
Base-Backbone interact. energy: -2.408
local terms energy: -271.029444
where:
bonds (distance) C4'-P energy: -64.214
bonds (distance) P-C4' energy: -64.946
flat angles C4'-P-C4' energy: -60.022
flat angles P-C4'-P energy: -41.392
tors. eta vs tors. theta energy: -40.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -661.201969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.201969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.201969 (E_RNA)
where:
Base-Base interactions energy: -388.033
where: short stacking energy: -194.912
Base-Backbone interact. energy: -0.824
local terms energy: -272.345618
where:
bonds (distance) C4'-P energy: -69.125
bonds (distance) P-C4' energy: -71.324
flat angles C4'-P-C4' energy: -70.531
flat angles P-C4'-P energy: -43.632
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: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1587.825428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.825428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.825428 (E_RNA)
where:
Base-Base interactions energy: -1118.520
where: short stacking energy: -441.870
Base-Backbone interact. energy: -2.664
local terms energy: -466.641602
where:
bonds (distance) C4'-P energy: -99.831
bonds (distance) P-C4' energy: -92.575
flat angles C4'-P-C4' energy: -95.740
flat angles P-C4'-P energy: -57.659
tors. eta vs tors. theta energy: -120.836
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: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1526.800363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.800363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.800363 (E_RNA)
where:
Base-Base interactions energy: -1060.228
where: short stacking energy: -436.994
Base-Backbone interact. energy: -1.698
local terms energy: -464.874427
where:
bonds (distance) C4'-P energy: -85.477
bonds (distance) P-C4' energy: -93.851
flat angles C4'-P-C4' energy: -90.018
flat angles P-C4'-P energy: -68.153
tors. eta vs tors. theta energy: -127.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1462.642548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.642548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.642548 (E_RNA)
where:
Base-Base interactions energy: -1022.280
where: short stacking energy: -427.004
Base-Backbone interact. energy: -0.202
local terms energy: -440.160093
where:
bonds (distance) C4'-P energy: -84.575
bonds (distance) P-C4' energy: -85.399
flat angles C4'-P-C4' energy: -90.933
flat angles P-C4'-P energy: -57.016
tors. eta vs tors. theta energy: -122.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1407.021265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.021265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.021265 (E_RNA)
where:
Base-Base interactions energy: -967.680
where: short stacking energy: -412.359
Base-Backbone interact. energy: -1.446
local terms energy: -437.895054
where:
bonds (distance) C4'-P energy: -86.603
bonds (distance) P-C4' energy: -78.079
flat angles C4'-P-C4' energy: -89.510
flat angles P-C4'-P energy: -60.684
tors. eta vs tors. theta energy: -123.018
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: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1214.966796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.966796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.966796 (E_RNA)
where:
Base-Base interactions energy: -797.329
where: short stacking energy: -350.974
Base-Backbone interact. energy: -1.242
local terms energy: -416.395383
where:
bonds (distance) C4'-P energy: -78.594
bonds (distance) P-C4' energy: -92.543
flat angles C4'-P-C4' energy: -97.065
flat angles P-C4'-P energy: -56.482
tors. eta vs tors. theta energy: -91.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1190.378309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.378309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.378309 (E_RNA)
where:
Base-Base interactions energy: -817.210
where: short stacking energy: -342.394
Base-Backbone interact. energy: -0.076
local terms energy: -373.091832
where:
bonds (distance) C4'-P energy: -74.069
bonds (distance) P-C4' energy: -93.900
flat angles C4'-P-C4' energy: -84.365
flat angles P-C4'-P energy: -39.726
tors. eta vs tors. theta energy: -81.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1086.912184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.912184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.912184 (E_RNA)
where:
Base-Base interactions energy: -754.914
where: short stacking energy: -342.718
Base-Backbone interact. energy: -0.621
local terms energy: -331.376848
where:
bonds (distance) C4'-P energy: -73.892
bonds (distance) P-C4' energy: -64.112
flat angles C4'-P-C4' energy: -93.834
flat angles P-C4'-P energy: -40.386
tors. eta vs tors. theta energy: -59.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -976.563829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.563829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.563829 (E_RNA)
where:
Base-Base interactions energy: -620.022
where: short stacking energy: -278.303
Base-Backbone interact. energy: -1.225
local terms energy: -355.316988
where:
bonds (distance) C4'-P energy: -71.244
bonds (distance) P-C4' energy: -85.600
flat angles C4'-P-C4' energy: -85.254
flat angles P-C4'-P energy: -51.078
tors. eta vs tors. theta energy: -62.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -836.132187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.132187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.132187 (E_RNA)
where:
Base-Base interactions energy: -541.952
where: short stacking energy: -249.583
Base-Backbone interact. energy: 1.494
local terms energy: -295.674377
where:
bonds (distance) C4'-P energy: -66.223
bonds (distance) P-C4' energy: -75.572
flat angles C4'-P-C4' energy: -62.439
flat angles P-C4'-P energy: -52.398
tors. eta vs tors. theta energy: -39.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -670.963246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.963246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.963246 (E_RNA)
where:
Base-Base interactions energy: -394.456
where: short stacking energy: -181.459
Base-Backbone interact. energy: -2.407
local terms energy: -274.100218
where:
bonds (distance) C4'-P energy: -59.374
bonds (distance) P-C4' energy: -75.531
flat angles C4'-P-C4' energy: -85.416
flat angles P-C4'-P energy: -41.081
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1592.714970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.714970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.714970 (E_RNA)
where:
Base-Base interactions energy: -1127.069
where: short stacking energy: -453.007
Base-Backbone interact. energy: -3.170
local terms energy: -462.476655
where:
bonds (distance) C4'-P energy: -92.670
bonds (distance) P-C4' energy: -94.047
flat angles C4'-P-C4' energy: -92.073
flat angles P-C4'-P energy: -62.207
tors. eta vs tors. theta energy: -121.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1552.441799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.441799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.441799 (E_RNA)
where:
Base-Base interactions energy: -1066.454
where: short stacking energy: -440.466
Base-Backbone interact. energy: -4.550
local terms energy: -481.437990
where:
bonds (distance) C4'-P energy: -83.225
bonds (distance) P-C4' energy: -100.629
flat angles C4'-P-C4' energy: -106.495
flat angles P-C4'-P energy: -65.704
tors. eta vs tors. theta energy: -125.385
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: 3, replica: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1483.106786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.106786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.106786 (E_RNA)
where:
Base-Base interactions energy: -1034.338
where: short stacking energy: -429.787
Base-Backbone interact. energy: -1.733
local terms energy: -447.035674
where:
bonds (distance) C4'-P energy: -89.685
bonds (distance) P-C4' energy: -82.876
flat angles C4'-P-C4' energy: -101.394
flat angles P-C4'-P energy: -49.342
tors. eta vs tors. theta energy: -123.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1425.561230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.561230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.561230 (E_RNA)
where:
Base-Base interactions energy: -951.271
where: short stacking energy: -429.219
Base-Backbone interact. energy: -0.592
local terms energy: -473.698996
where:
bonds (distance) C4'-P energy: -83.135
bonds (distance) P-C4' energy: -86.137
flat angles C4'-P-C4' energy: -107.273
flat angles P-C4'-P energy: -65.392
tors. eta vs tors. theta energy: -131.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1195.175268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.175268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.175268 (E_RNA)
where:
Base-Base interactions energy: -788.132
where: short stacking energy: -359.223
Base-Backbone interact. energy: -2.071
local terms energy: -404.971648
where:
bonds (distance) C4'-P energy: -65.474
bonds (distance) P-C4' energy: -84.223
flat angles C4'-P-C4' energy: -95.439
flat angles P-C4'-P energy: -61.738
tors. eta vs tors. theta energy: -98.097
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: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1152.498335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.498335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.498335 (E_RNA)
where:
Base-Base interactions energy: -770.404
where: short stacking energy: -346.338
Base-Backbone interact. energy: -1.472
local terms energy: -380.622358
where:
bonds (distance) C4'-P energy: -76.111
bonds (distance) P-C4' energy: -81.694
flat angles C4'-P-C4' energy: -84.398
flat angles P-C4'-P energy: -57.608
tors. eta vs tors. theta energy: -80.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1079.949017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.949017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.949017 (E_RNA)
where:
Base-Base interactions energy: -742.028
where: short stacking energy: -318.617
Base-Backbone interact. energy: -0.014
local terms energy: -337.906187
where:
bonds (distance) C4'-P energy: -70.051
bonds (distance) P-C4' energy: -82.021
flat angles C4'-P-C4' energy: -76.003
flat angles P-C4'-P energy: -47.189
tors. eta vs tors. theta energy: -62.643
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: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -983.722114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.722114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.722114 (E_RNA)
where:
Base-Base interactions energy: -654.591
where: short stacking energy: -308.994
Base-Backbone interact. energy: 2.057
local terms energy: -331.188694
where:
bonds (distance) C4'-P energy: -59.540
bonds (distance) P-C4' energy: -80.325
flat angles C4'-P-C4' energy: -86.320
flat angles P-C4'-P energy: -46.505
tors. eta vs tors. theta energy: -58.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -834.302918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.302918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.302918 (E_RNA)
where:
Base-Base interactions energy: -525.575
where: short stacking energy: -237.950
Base-Backbone interact. energy: -1.563
local terms energy: -307.165402
where:
bonds (distance) C4'-P energy: -82.673
bonds (distance) P-C4' energy: -66.439
flat angles C4'-P-C4' energy: -66.371
flat angles P-C4'-P energy: -44.508
tors. eta vs tors. theta energy: -47.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -688.122665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.122665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.122665 (E_RNA)
where:
Base-Base interactions energy: -403.479
where: short stacking energy: -212.692
Base-Backbone interact. energy: -1.937
local terms energy: -282.706733
where:
bonds (distance) C4'-P energy: -76.898
bonds (distance) P-C4' energy: -75.660
flat angles C4'-P-C4' energy: -72.587
flat angles P-C4'-P energy: -32.723
tors. eta vs tors. theta energy: -24.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1603.520691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.520691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.520691 (E_RNA)
where:
Base-Base interactions energy: -1126.525
where: short stacking energy: -457.728
Base-Backbone interact. energy: -3.995
local terms energy: -473.000944
where:
bonds (distance) C4'-P energy: -89.404
bonds (distance) P-C4' energy: -90.528
flat angles C4'-P-C4' energy: -98.814
flat angles P-C4'-P energy: -61.432
tors. eta vs tors. theta energy: -132.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1535.012722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.012722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.012722 (E_RNA)
where:
Base-Base interactions energy: -1066.656
where: short stacking energy: -446.479
Base-Backbone interact. energy: 2.628
local terms energy: -470.984728
where:
bonds (distance) C4'-P energy: -90.752
bonds (distance) P-C4' energy: -85.503
flat angles C4'-P-C4' energy: -107.872
flat angles P-C4'-P energy: -57.016
tors. eta vs tors. theta energy: -129.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1498.103073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.103073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.103073 (E_RNA)
where:
Base-Base interactions energy: -1060.590
where: short stacking energy: -450.944
Base-Backbone interact. energy: -0.931
local terms energy: -436.582914
where:
bonds (distance) C4'-P energy: -83.656
bonds (distance) P-C4' energy: -85.466
flat angles C4'-P-C4' energy: -93.731
flat angles P-C4'-P energy: -59.770
tors. eta vs tors. theta energy: -113.960
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: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1402.108838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.108838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.108838 (E_RNA)
where:
Base-Base interactions energy: -944.071
where: short stacking energy: -429.570
Base-Backbone interact. energy: -3.118
local terms energy: -454.920171
where:
bonds (distance) C4'-P energy: -89.100
bonds (distance) P-C4' energy: -81.660
flat angles C4'-P-C4' energy: -102.530
flat angles P-C4'-P energy: -58.020
tors. eta vs tors. theta energy: -123.610
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: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1228.528652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.528652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.528652 (E_RNA)
where:
Base-Base interactions energy: -817.699
where: short stacking energy: -392.839
Base-Backbone interact. energy: 1.249
local terms energy: -412.078645
where:
bonds (distance) C4'-P energy: -81.666
bonds (distance) P-C4' energy: -82.893
flat angles C4'-P-C4' energy: -97.229
flat angles P-C4'-P energy: -56.550
tors. eta vs tors. theta energy: -93.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1110.742292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.742292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.742292 (E_RNA)
where:
Base-Base interactions energy: -746.434
where: short stacking energy: -344.663
Base-Backbone interact. energy: -0.330
local terms energy: -363.978150
where:
bonds (distance) C4'-P energy: -75.598
bonds (distance) P-C4' energy: -83.147
flat angles C4'-P-C4' energy: -86.577
flat angles P-C4'-P energy: -47.885
tors. eta vs tors. theta energy: -70.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1079.633361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.633361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.633361 (E_RNA)
where:
Base-Base interactions energy: -728.543
where: short stacking energy: -306.595
Base-Backbone interact. energy: 1.170
local terms energy: -352.260340
where:
bonds (distance) C4'-P energy: -55.569
bonds (distance) P-C4' energy: -88.354
flat angles C4'-P-C4' energy: -91.141
flat angles P-C4'-P energy: -57.560
tors. eta vs tors. theta energy: -59.636
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: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -969.644157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.644157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.644157 (E_RNA)
where:
Base-Base interactions energy: -643.960
where: short stacking energy: -269.351
Base-Backbone interact. energy: -1.058
local terms energy: -324.625693
where:
bonds (distance) C4'-P energy: -70.732
bonds (distance) P-C4' energy: -78.286
flat angles C4'-P-C4' energy: -75.683
flat angles P-C4'-P energy: -44.651
tors. eta vs tors. theta energy: -55.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -856.187818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.187818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.187818 (E_RNA)
where:
Base-Base interactions energy: -544.053
where: short stacking energy: -245.348
Base-Backbone interact. energy: -0.277
local terms energy: -311.858098
where:
bonds (distance) C4'-P energy: -69.975
bonds (distance) P-C4' energy: -70.031
flat angles C4'-P-C4' energy: -80.908
flat angles P-C4'-P energy: -46.617
tors. eta vs tors. theta energy: -44.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -656.181813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.181813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.181813 (E_RNA)
where:
Base-Base interactions energy: -342.917
where: short stacking energy: -164.104
Base-Backbone interact. energy: -2.197
local terms energy: -311.067272
where:
bonds (distance) C4'-P energy: -80.515
bonds (distance) P-C4' energy: -89.968
flat angles C4'-P-C4' energy: -76.237
flat angles P-C4'-P energy: -46.337
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1597.602247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.602247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.602247 (E_RNA)
where:
Base-Base interactions energy: -1116.077
where: short stacking energy: -468.402
Base-Backbone interact. energy: 0.012
local terms energy: -481.536796
where:
bonds (distance) C4'-P energy: -97.025
bonds (distance) P-C4' energy: -90.325
flat angles C4'-P-C4' energy: -102.940
flat angles P-C4'-P energy: -65.150
tors. eta vs tors. theta energy: -126.097
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: 487
Temperature: 0.950000
Total energy: -1554.155186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.155186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.155186 (E_RNA)
where:
Base-Base interactions energy: -1077.161
where: short stacking energy: -450.389
Base-Backbone interact. energy: -4.198
local terms energy: -472.795400
where:
bonds (distance) C4'-P energy: -87.504
bonds (distance) P-C4' energy: -94.808
flat angles C4'-P-C4' energy: -100.630
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -120.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1486.461037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.461037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.461037 (E_RNA)
where:
Base-Base interactions energy: -1035.560
where: short stacking energy: -453.673
Base-Backbone interact. energy: -0.759
local terms energy: -450.141977
where:
bonds (distance) C4'-P energy: -82.199
bonds (distance) P-C4' energy: -87.879
flat angles C4'-P-C4' energy: -104.217
flat angles P-C4'-P energy: -61.319
tors. eta vs tors. theta energy: -114.527
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: 487
Temperature: 1.050000
Total energy: -1401.100385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.100385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.100385 (E_RNA)
where:
Base-Base interactions energy: -943.542
where: short stacking energy: -424.205
Base-Backbone interact. energy: -1.678
local terms energy: -455.880687
where:
bonds (distance) C4'-P energy: -79.926
bonds (distance) P-C4' energy: -80.887
flat angles C4'-P-C4' energy: -106.335
flat angles P-C4'-P energy: -62.794
tors. eta vs tors. theta energy: -125.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1269.069350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.069350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.069350 (E_RNA)
where:
Base-Base interactions energy: -842.941
where: short stacking energy: -401.252
Base-Backbone interact. energy: 0.214
local terms energy: -426.342554
where:
bonds (distance) C4'-P energy: -90.376
bonds (distance) P-C4' energy: -89.266
flat angles C4'-P-C4' energy: -91.079
flat angles P-C4'-P energy: -54.274
tors. eta vs tors. theta energy: -101.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1139.368512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.368512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.368512 (E_RNA)
where:
Base-Base interactions energy: -779.220
where: short stacking energy: -374.079
Base-Backbone interact. energy: 5.486
local terms energy: -365.635253
where:
bonds (distance) C4'-P energy: -67.911
bonds (distance) P-C4' energy: -77.502
flat angles C4'-P-C4' energy: -79.413
flat angles P-C4'-P energy: -54.970
tors. eta vs tors. theta energy: -85.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1094.647733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.647733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.647733 (E_RNA)
where:
Base-Base interactions energy: -739.141
where: short stacking energy: -329.675
Base-Backbone interact. energy: -2.171
local terms energy: -353.336040
where:
bonds (distance) C4'-P energy: -60.065
bonds (distance) P-C4' energy: -77.467
flat angles C4'-P-C4' energy: -90.762
flat angles P-C4'-P energy: -42.955
tors. eta vs tors. theta energy: -82.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -985.486333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.486333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.486333 (E_RNA)
where:
Base-Base interactions energy: -636.043
where: short stacking energy: -288.685
Base-Backbone interact. energy: -1.140
local terms energy: -348.303529
where:
bonds (distance) C4'-P energy: -78.040
bonds (distance) P-C4' energy: -79.032
flat angles C4'-P-C4' energy: -77.093
flat angles P-C4'-P energy: -55.035
tors. eta vs tors. theta energy: -59.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -891.620937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.620937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.620937 (E_RNA)
where:
Base-Base interactions energy: -588.934
where: short stacking energy: -282.525
Base-Backbone interact. energy: -1.355
local terms energy: -301.331515
where:
bonds (distance) C4'-P energy: -72.496
bonds (distance) P-C4' energy: -73.028
flat angles C4'-P-C4' energy: -69.165
flat angles P-C4'-P energy: -41.780
tors. eta vs tors. theta energy: -44.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -697.583524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.583524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.583524 (E_RNA)
where:
Base-Base interactions energy: -420.073
where: short stacking energy: -203.812
Base-Backbone interact. energy: 0.487
local terms energy: -277.996753
where:
bonds (distance) C4'-P energy: -73.204
bonds (distance) P-C4' energy: -83.025
flat angles C4'-P-C4' energy: -76.693
flat angles P-C4'-P energy: -38.915
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: 1, replica: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1641.497656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.497656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.497656 (E_RNA)
where:
Base-Base interactions energy: -1164.477
where: short stacking energy: -477.520
Base-Backbone interact. energy: -0.868
local terms energy: -476.152389
where:
bonds (distance) C4'-P energy: -91.816
bonds (distance) P-C4' energy: -77.871
flat angles C4'-P-C4' energy: -98.236
flat angles P-C4'-P energy: -73.830
tors. eta vs tors. theta energy: -134.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1521.592176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.592176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.592176 (E_RNA)
where:
Base-Base interactions energy: -1062.766
where: short stacking energy: -425.064
Base-Backbone interact. energy: -2.162
local terms energy: -456.664193
where:
bonds (distance) C4'-P energy: -80.621
bonds (distance) P-C4' energy: -90.951
flat angles C4'-P-C4' energy: -97.995
flat angles P-C4'-P energy: -65.629
tors. eta vs tors. theta energy: -121.468
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: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1481.869349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.869349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.869349 (E_RNA)
where:
Base-Base interactions energy: -1029.286
where: short stacking energy: -454.857
Base-Backbone interact. energy: -2.714
local terms energy: -449.869342
where:
bonds (distance) C4'-P energy: -85.293
bonds (distance) P-C4' energy: -81.930
flat angles C4'-P-C4' energy: -98.974
flat angles P-C4'-P energy: -60.173
tors. eta vs tors. theta energy: -123.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1370.927681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.927681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.927681 (E_RNA)
where:
Base-Base interactions energy: -931.943
where: short stacking energy: -427.896
Base-Backbone interact. energy: -1.320
local terms energy: -437.665086
where:
bonds (distance) C4'-P energy: -92.223
bonds (distance) P-C4' energy: -75.356
flat angles C4'-P-C4' energy: -85.741
flat angles P-C4'-P energy: -63.408
tors. eta vs tors. theta energy: -120.937
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: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1260.787762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.787762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.787762 (E_RNA)
where:
Base-Base interactions energy: -841.037
where: short stacking energy: -382.880
Base-Backbone interact. energy: -1.550
local terms energy: -418.200895
where:
bonds (distance) C4'-P energy: -71.330
bonds (distance) P-C4' energy: -84.626
flat angles C4'-P-C4' energy: -103.670
flat angles P-C4'-P energy: -68.327
tors. eta vs tors. theta energy: -90.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1100.412536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.412536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.412536 (E_RNA)
where:
Base-Base interactions energy: -688.631
where: short stacking energy: -315.663
Base-Backbone interact. energy: -1.233
local terms energy: -410.548364
where:
bonds (distance) C4'-P energy: -94.002
bonds (distance) P-C4' energy: -89.382
flat angles C4'-P-C4' energy: -90.942
flat angles P-C4'-P energy: -57.615
tors. eta vs tors. theta energy: -78.608
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: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1026.858341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.858341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.858341 (E_RNA)
where:
Base-Base interactions energy: -644.732
where: short stacking energy: -300.664
Base-Backbone interact. energy: 4.012
local terms energy: -386.138511
where:
bonds (distance) C4'-P energy: -87.857
bonds (distance) P-C4' energy: -97.042
flat angles C4'-P-C4' energy: -86.828
flat angles P-C4'-P energy: -47.434
tors. eta vs tors. theta energy: -66.977
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: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1076.378112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.378112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.378112 (E_RNA)
where:
Base-Base interactions energy: -720.018
where: short stacking energy: -299.242
Base-Backbone interact. energy: 0.576
local terms energy: -356.935558
where:
bonds (distance) C4'-P energy: -69.331
bonds (distance) P-C4' energy: -76.431
flat angles C4'-P-C4' energy: -77.223
flat angles P-C4'-P energy: -57.101
tors. eta vs tors. theta energy: -76.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -873.720998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.720998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.720998 (E_RNA)
where:
Base-Base interactions energy: -551.812
where: short stacking energy: -234.537
Base-Backbone interact. energy: -1.199
local terms energy: -320.709542
where:
bonds (distance) C4'-P energy: -70.634
bonds (distance) P-C4' energy: -77.484
flat angles C4'-P-C4' energy: -63.946
flat angles P-C4'-P energy: -61.834
tors. eta vs tors. theta energy: -46.811
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: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -760.883266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.883266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.883266 (E_RNA)
where:
Base-Base interactions energy: -481.928
where: short stacking energy: -241.487
Base-Backbone interact. energy: 3.407
local terms energy: -282.362502
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -77.405
flat angles C4'-P-C4' energy: -75.862
flat angles P-C4'-P energy: -41.888
tors. eta vs tors. theta energy: -31.097
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: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1614.017257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.017257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.017257 (E_RNA)
where:
Base-Base interactions energy: -1142.846
where: short stacking energy: -468.933
Base-Backbone interact. energy: -1.998
local terms energy: -469.173941
where:
bonds (distance) C4'-P energy: -78.999
bonds (distance) P-C4' energy: -94.060
flat angles C4'-P-C4' energy: -97.192
flat angles P-C4'-P energy: -68.437
tors. eta vs tors. theta energy: -130.486
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: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1510.256614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.256614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.256614 (E_RNA)
where:
Base-Base interactions energy: -1062.387
where: short stacking energy: -453.723
Base-Backbone interact. energy: -1.748
local terms energy: -446.122073
where:
bonds (distance) C4'-P energy: -88.187
bonds (distance) P-C4' energy: -72.418
flat angles C4'-P-C4' energy: -107.770
flat angles P-C4'-P energy: -59.308
tors. eta vs tors. theta energy: -118.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1511.820367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.820367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.820367 (E_RNA)
where:
Base-Base interactions energy: -1058.817
where: short stacking energy: -421.542
Base-Backbone interact. energy: -5.371
local terms energy: -447.632669
where:
bonds (distance) C4'-P energy: -77.197
bonds (distance) P-C4' energy: -88.981
flat angles C4'-P-C4' energy: -103.373
flat angles P-C4'-P energy: -60.328
tors. eta vs tors. theta energy: -117.754
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: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1375.374122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.374122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.374122 (E_RNA)
where:
Base-Base interactions energy: -921.273
where: short stacking energy: -411.635
Base-Backbone interact. energy: -0.326
local terms energy: -453.775380
where:
bonds (distance) C4'-P energy: -78.840
bonds (distance) P-C4' energy: -96.340
flat angles C4'-P-C4' energy: -98.515
flat angles P-C4'-P energy: -59.394
tors. eta vs tors. theta energy: -120.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1274.032678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.032678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.032678 (E_RNA)
where:
Base-Base interactions energy: -860.745
where: short stacking energy: -387.826
Base-Backbone interact. energy: 0.947
local terms energy: -414.234523
where:
bonds (distance) C4'-P energy: -83.420
bonds (distance) P-C4' energy: -80.135
flat angles C4'-P-C4' energy: -90.602
flat angles P-C4'-P energy: -61.029
tors. eta vs tors. theta energy: -99.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1072.911048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.911048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.911048 (E_RNA)
where:
Base-Base interactions energy: -703.212
where: short stacking energy: -316.948
Base-Backbone interact. energy: 1.583
local terms energy: -371.282408
where:
bonds (distance) C4'-P energy: -82.647
bonds (distance) P-C4' energy: -79.212
flat angles C4'-P-C4' energy: -95.778
flat angles P-C4'-P energy: -51.166
tors. eta vs tors. theta energy: -62.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1057.539711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.539711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.539711 (E_RNA)
where:
Base-Base interactions energy: -677.625
where: short stacking energy: -330.295
Base-Backbone interact. energy: -1.168
local terms energy: -378.746300
where:
bonds (distance) C4'-P energy: -82.275
bonds (distance) P-C4' energy: -83.529
flat angles C4'-P-C4' energy: -84.005
flat angles P-C4'-P energy: -52.961
tors. eta vs tors. theta energy: -75.976
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: 489
Temperature: 1.250000
Total energy: -1111.218004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.218004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.218004 (E_RNA)
where:
Base-Base interactions energy: -752.845
where: short stacking energy: -318.232
Base-Backbone interact. energy: 0.221
local terms energy: -358.594406
where:
bonds (distance) C4'-P energy: -79.610
bonds (distance) P-C4' energy: -69.836
flat angles C4'-P-C4' energy: -86.259
flat angles P-C4'-P energy: -54.211
tors. eta vs tors. theta energy: -68.677
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: 489
Temperature: 1.300000
Total energy: -888.331112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.331112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.331112 (E_RNA)
where:
Base-Base interactions energy: -589.969
where: short stacking energy: -254.559
Base-Backbone interact. energy: -1.112
local terms energy: -297.249516
where:
bonds (distance) C4'-P energy: -85.036
bonds (distance) P-C4' energy: -79.678
flat angles C4'-P-C4' energy: -71.089
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -32.637
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: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -719.284850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.284850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.284850 (E_RNA)
where:
Base-Base interactions energy: -426.763
where: short stacking energy: -204.853
Base-Backbone interact. energy: 0.821
local terms energy: -293.343170
where:
bonds (distance) C4'-P energy: -77.601
bonds (distance) P-C4' energy: -96.535
flat angles C4'-P-C4' energy: -65.271
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1564.722819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.722819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.722819 (E_RNA)
where:
Base-Base interactions energy: -1092.749
where: short stacking energy: -444.174
Base-Backbone interact. energy: -2.330
local terms energy: -469.643850
where:
bonds (distance) C4'-P energy: -93.976
bonds (distance) P-C4' energy: -76.573
flat angles C4'-P-C4' energy: -101.499
flat angles P-C4'-P energy: -75.197
tors. eta vs tors. theta energy: -122.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1519.101498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.101498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.101498 (E_RNA)
where:
Base-Base interactions energy: -1058.311
where: short stacking energy: -467.250
Base-Backbone interact. energy: 1.269
local terms energy: -462.059159
where:
bonds (distance) C4'-P energy: -82.269
bonds (distance) P-C4' energy: -97.404
flat angles C4'-P-C4' energy: -97.531
flat angles P-C4'-P energy: -53.211
tors. eta vs tors. theta energy: -131.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1513.369814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.369814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.369814 (E_RNA)
where:
Base-Base interactions energy: -1064.119
where: short stacking energy: -435.721
Base-Backbone interact. energy: 0.785
local terms energy: -450.036514
where:
bonds (distance) C4'-P energy: -81.179
bonds (distance) P-C4' energy: -81.716
flat angles C4'-P-C4' energy: -98.601
flat angles P-C4'-P energy: -62.766
tors. eta vs tors. theta energy: -125.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1372.343338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.343338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.343338 (E_RNA)
where:
Base-Base interactions energy: -933.695
where: short stacking energy: -430.055
Base-Backbone interact. energy: -1.340
local terms energy: -437.307746
where:
bonds (distance) C4'-P energy: -86.697
bonds (distance) P-C4' energy: -82.592
flat angles C4'-P-C4' energy: -89.960
flat angles P-C4'-P energy: -65.760
tors. eta vs tors. theta energy: -112.299
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: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1271.709844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.709844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.709844 (E_RNA)
where:
Base-Base interactions energy: -860.875
where: short stacking energy: -378.343
Base-Backbone interact. energy: -0.981
local terms energy: -409.853512
where:
bonds (distance) C4'-P energy: -79.582
bonds (distance) P-C4' energy: -78.008
flat angles C4'-P-C4' energy: -91.492
flat angles P-C4'-P energy: -56.944
tors. eta vs tors. theta energy: -103.828
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: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1083.836473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.836473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.836473 (E_RNA)
where:
Base-Base interactions energy: -711.974
where: short stacking energy: -304.063
Base-Backbone interact. energy: -2.351
local terms energy: -369.510680
where:
bonds (distance) C4'-P energy: -81.390
bonds (distance) P-C4' energy: -85.340
flat angles C4'-P-C4' energy: -94.234
flat angles P-C4'-P energy: -52.265
tors. eta vs tors. theta energy: -56.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1051.044981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.044981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.044981 (E_RNA)
where:
Base-Base interactions energy: -685.327
where: short stacking energy: -315.571
Base-Backbone interact. energy: -0.400
local terms energy: -365.318259
where:
bonds (distance) C4'-P energy: -67.465
bonds (distance) P-C4' energy: -89.280
flat angles C4'-P-C4' energy: -85.965
flat angles P-C4'-P energy: -48.430
tors. eta vs tors. theta energy: -74.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1053.395862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.395862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.395862 (E_RNA)
where:
Base-Base interactions energy: -691.859
where: short stacking energy: -295.230
Base-Backbone interact. energy: -1.352
local terms energy: -360.184916
where:
bonds (distance) C4'-P energy: -87.875
bonds (distance) P-C4' energy: -80.139
flat angles C4'-P-C4' energy: -82.347
flat angles P-C4'-P energy: -45.274
tors. eta vs tors. theta energy: -64.550
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: 490
Temperature: 1.300000
Total energy: -885.378341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.378341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.378341 (E_RNA)
where:
Base-Base interactions energy: -571.527
where: short stacking energy: -248.997
Base-Backbone interact. energy: 4.991
local terms energy: -318.842030
where:
bonds (distance) C4'-P energy: -83.389
bonds (distance) P-C4' energy: -71.050
flat angles C4'-P-C4' energy: -72.399
flat angles P-C4'-P energy: -41.808
tors. eta vs tors. theta energy: -50.196
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: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -674.829822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.829822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.829822 (E_RNA)
where:
Base-Base interactions energy: -431.662
where: short stacking energy: -196.326
Base-Backbone interact. energy: 1.931
local terms energy: -245.098811
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -73.957
flat angles C4'-P-C4' energy: -65.503
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -17.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/ttt-8e71d6a1_01
DONE
DONE